USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.45 X(o=-0.45,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 16 GLN : amide:sc= -0.0273 K(o=-0.027,f=-1.7!) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= -0.0316 (180deg=-0.106) USER MOD Single : A 18 ASN : amide:sc= 0.609 K(o=0.61,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 139:sc= 0.787 (180deg=0.0837) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 35 CYS SG : rot 64:sc= -0.343 USER MOD Single : A 37 SER OG : rot 180:sc= -0.048 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -171:sc= -4.06 (180deg=-4.24) USER MOD Single : A 47 MET CE :methyl -133:sc= 0 (180deg=-0.364) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 51 ASN : amide:sc= -0.0182 K(o=-0.018,f=-1.5) USER MOD Single : A 53 THR OG1 : rot -140:sc= -0.413 USER MOD Single : A 58 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.69) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -84:sc= 0.532 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -174:sc= -1.05 (180deg=-1.16) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.711 -5.923 -17.506 1.00 0.00 N ATOM 47 CA ILE A 4 7.482 -6.471 -16.914 1.00 0.00 C ATOM 48 C ILE A 4 6.361 -5.425 -16.951 1.00 0.00 C ATOM 49 O ILE A 4 5.180 -5.769 -17.018 1.00 0.00 O ATOM 50 CB ILE A 4 7.698 -6.949 -15.460 1.00 0.00 C ATOM 51 CG1 ILE A 4 7.794 -5.748 -14.495 1.00 0.00 C ATOM 52 CG2 ILE A 4 8.969 -7.804 -15.368 1.00 0.00 C ATOM 53 CD1 ILE A 4 9.169 -5.076 -14.593 1.00 0.00 C ATOM 0 HA ILE A 4 7.198 -7.337 -17.511 1.00 0.00 H new ATOM 0 HB ILE A 4 6.840 -7.555 -15.168 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.014 -5.024 -14.730 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.621 -6.083 -13.472 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.111 -8.135 -14.339 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.871 -8.673 -16.019 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.829 -7.212 -15.681 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.212 -4.233 -13.904 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.945 -5.796 -14.334 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.329 -4.721 -15.611 1.00 0.00 H new ATOM 65 N TYR A 5 6.751 -4.143 -16.923 1.00 0.00 N ATOM 66 CA TYR A 5 5.782 -3.047 -16.972 1.00 0.00 C ATOM 67 C TYR A 5 5.161 -2.965 -18.365 1.00 0.00 C ATOM 68 O TYR A 5 3.973 -2.681 -18.512 1.00 0.00 O ATOM 69 CB TYR A 5 6.459 -1.709 -16.654 1.00 0.00 C ATOM 70 CG TYR A 5 7.148 -1.794 -15.313 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.388 -1.852 -14.141 1.00 0.00 C ATOM 72 CD2 TYR A 5 8.546 -1.821 -15.244 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.026 -1.938 -12.899 1.00 0.00 C ATOM 74 CE2 TYR A 5 9.183 -1.906 -14.004 1.00 0.00 C ATOM 75 CZ TYR A 5 8.423 -1.965 -12.828 1.00 0.00 C ATOM 76 OH TYR A 5 9.051 -2.050 -11.603 1.00 0.00 O ATOM 0 H TYR A 5 7.725 -3.844 -16.867 1.00 0.00 H new ATOM 0 HA TYR A 5 5.010 -3.244 -16.228 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.183 -1.463 -17.431 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.719 -0.909 -16.643 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.310 -1.830 -14.194 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.132 -1.776 -16.150 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.439 -1.984 -11.993 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.262 -1.926 -13.951 1.00 0.00 H new ATOM 0 HH TYR A 5 10.022 -2.059 -11.733 1.00 0.00 H new ATOM 86 N LYS A 6 5.988 -3.234 -19.381 1.00 0.00 N ATOM 87 CA LYS A 6 5.527 -3.207 -20.775 1.00 0.00 C ATOM 88 C LYS A 6 4.559 -4.358 -21.021 1.00 0.00 C ATOM 89 O LYS A 6 3.528 -4.193 -21.675 1.00 0.00 O ATOM 90 CB LYS A 6 6.711 -3.335 -21.750 1.00 0.00 C ATOM 91 CG LYS A 6 7.868 -2.418 -21.323 1.00 0.00 C ATOM 92 CD LYS A 6 7.328 -1.040 -20.928 1.00 0.00 C ATOM 93 CE LYS A 6 8.402 -0.270 -20.154 1.00 0.00 C ATOM 94 NZ LYS A 6 8.182 1.197 -20.317 1.00 0.00 N ATOM 0 H LYS A 6 6.973 -3.471 -19.267 1.00 0.00 H new ATOM 0 HA LYS A 6 5.028 -2.253 -20.947 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.053 -4.370 -21.781 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.388 -3.076 -22.758 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.404 -2.862 -20.484 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.583 -2.317 -22.140 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.038 -0.483 -21.819 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.433 -1.151 -20.316 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.366 -0.538 -19.098 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.393 -0.542 -20.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.912 1.718 -19.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.237 1.446 -21.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.243 1.450 -19.949 1.00 0.00 H new ATOM 108 N ALA A 7 4.904 -5.523 -20.469 1.00 0.00 N ATOM 109 CA ALA A 7 4.062 -6.712 -20.608 1.00 0.00 C ATOM 110 C ALA A 7 2.735 -6.509 -19.872 1.00 0.00 C ATOM 111 O ALA A 7 1.691 -6.991 -20.310 1.00 0.00 O ATOM 112 CB ALA A 7 4.770 -7.942 -20.035 1.00 0.00 C ATOM 0 H ALA A 7 5.755 -5.668 -19.925 1.00 0.00 H new ATOM 0 HA ALA A 7 3.871 -6.870 -21.669 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.129 -8.816 -20.147 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.705 -8.106 -20.571 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.982 -7.781 -18.978 1.00 0.00 H new ATOM 118 N ALA A 8 2.792 -5.781 -18.748 1.00 0.00 N ATOM 119 CA ALA A 8 1.595 -5.507 -17.952 1.00 0.00 C ATOM 120 C ALA A 8 0.728 -4.429 -18.608 1.00 0.00 C ATOM 121 O ALA A 8 -0.492 -4.433 -18.449 1.00 0.00 O ATOM 122 CB ALA A 8 1.982 -5.038 -16.548 1.00 0.00 C ATOM 0 H ALA A 8 3.650 -5.375 -18.374 1.00 0.00 H new ATOM 0 HA ALA A 8 1.026 -6.435 -17.890 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.080 -4.839 -15.969 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.566 -5.814 -16.053 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.576 -4.127 -16.620 1.00 0.00 H new ATOM 128 N VAL A 9 1.369 -3.506 -19.338 1.00 0.00 N ATOM 129 CA VAL A 9 0.648 -2.417 -20.010 1.00 0.00 C ATOM 130 C VAL A 9 -0.483 -2.965 -20.890 1.00 0.00 C ATOM 131 O VAL A 9 -1.619 -2.492 -20.821 1.00 0.00 O ATOM 132 CB VAL A 9 1.621 -1.591 -20.869 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.856 -0.805 -21.938 1.00 0.00 C ATOM 134 CG2 VAL A 9 2.384 -0.611 -19.972 1.00 0.00 C ATOM 0 H VAL A 9 2.379 -3.491 -19.478 1.00 0.00 H new ATOM 0 HA VAL A 9 0.209 -1.778 -19.243 1.00 0.00 H new ATOM 0 HB VAL A 9 2.319 -2.269 -21.360 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.559 -0.226 -22.537 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.316 -1.498 -22.582 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.148 -0.130 -21.457 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.074 -0.025 -20.578 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.677 0.056 -19.479 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.944 -1.167 -19.220 1.00 0.00 H new ATOM 144 N GLU A 10 -0.157 -3.966 -21.712 1.00 0.00 N ATOM 145 CA GLU A 10 -1.151 -4.576 -22.602 1.00 0.00 C ATOM 146 C GLU A 10 -2.251 -5.289 -21.806 1.00 0.00 C ATOM 147 O GLU A 10 -3.348 -5.514 -22.320 1.00 0.00 O ATOM 148 CB GLU A 10 -0.483 -5.587 -23.541 1.00 0.00 C ATOM 149 CG GLU A 10 0.034 -4.866 -24.791 1.00 0.00 C ATOM 150 CD GLU A 10 -1.041 -4.878 -25.875 1.00 0.00 C ATOM 151 OE1 GLU A 10 -1.926 -4.041 -25.814 1.00 0.00 O ATOM 152 OE2 GLU A 10 -0.962 -5.724 -26.750 1.00 0.00 O ATOM 0 H GLU A 10 0.778 -4.369 -21.781 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.600 -3.772 -23.184 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.341 -6.084 -23.029 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.196 -6.361 -23.824 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.304 -3.839 -24.545 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.938 -5.354 -25.156 1.00 0.00 H new ATOM 159 N GLN A 11 -1.951 -5.641 -20.549 1.00 0.00 N ATOM 160 CA GLN A 11 -2.927 -6.326 -19.698 1.00 0.00 C ATOM 161 C GLN A 11 -3.843 -5.320 -18.998 1.00 0.00 C ATOM 162 O GLN A 11 -4.994 -5.631 -18.685 1.00 0.00 O ATOM 163 CB GLN A 11 -2.222 -7.176 -18.634 1.00 0.00 C ATOM 164 CG GLN A 11 -1.214 -8.118 -19.302 1.00 0.00 C ATOM 165 CD GLN A 11 -0.705 -9.138 -18.285 1.00 0.00 C ATOM 166 OE1 GLN A 11 -0.802 -10.345 -18.507 1.00 0.00 O ATOM 167 NE2 GLN A 11 -0.159 -8.724 -17.171 1.00 0.00 N ATOM 0 H GLN A 11 -1.050 -5.464 -20.104 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.523 -6.971 -20.343 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.711 -6.530 -17.920 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.956 -7.754 -18.073 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.683 -8.631 -20.141 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.379 -7.545 -19.705 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.077 -7.725 -16.984 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.185 -9.400 -16.489 1.00 0.00 H new ATOM 176 N LEU A 12 -3.319 -4.113 -18.750 1.00 0.00 N ATOM 177 CA LEU A 12 -4.094 -3.066 -18.079 1.00 0.00 C ATOM 178 C LEU A 12 -5.338 -2.711 -18.891 1.00 0.00 C ATOM 179 O LEU A 12 -5.250 -2.111 -19.965 1.00 0.00 O ATOM 180 CB LEU A 12 -3.248 -1.801 -17.881 1.00 0.00 C ATOM 181 CG LEU A 12 -1.872 -2.008 -17.230 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.379 -0.683 -16.645 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.975 -3.051 -16.112 1.00 0.00 C ATOM 0 H LEU A 12 -2.369 -3.840 -19.002 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.395 -3.453 -17.105 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.101 -1.330 -18.853 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.816 -1.100 -17.269 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.169 -2.359 -17.985 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.403 -0.830 -16.183 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.296 0.058 -17.440 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.086 -0.331 -15.894 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.996 -3.193 -15.655 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.681 -2.706 -15.357 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.321 -3.997 -16.528 1.00 0.00 H new ATOM 195 N THR A 13 -6.499 -3.093 -18.357 1.00 0.00 N ATOM 196 CA THR A 13 -7.776 -2.821 -19.020 1.00 0.00 C ATOM 197 C THR A 13 -8.571 -1.781 -18.235 1.00 0.00 C ATOM 198 O THR A 13 -8.165 -1.357 -17.152 1.00 0.00 O ATOM 199 CB THR A 13 -8.614 -4.106 -19.141 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.180 -5.061 -18.180 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.460 -4.686 -20.547 1.00 0.00 C ATOM 0 H THR A 13 -6.582 -3.590 -17.470 1.00 0.00 H new ATOM 0 HA THR A 13 -7.559 -2.440 -20.018 1.00 0.00 H new ATOM 0 HB THR A 13 -9.662 -3.868 -18.958 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.719 -5.876 -18.262 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.054 -5.596 -20.632 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.805 -3.958 -21.281 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.411 -4.918 -20.732 1.00 0.00 H new ATOM 209 N ASP A 14 -9.721 -1.389 -18.789 1.00 0.00 N ATOM 210 CA ASP A 14 -10.583 -0.410 -18.123 1.00 0.00 C ATOM 211 C ASP A 14 -11.094 -0.988 -16.806 1.00 0.00 C ATOM 212 O ASP A 14 -11.310 -0.262 -15.836 1.00 0.00 O ATOM 213 CB ASP A 14 -11.781 -0.047 -19.006 1.00 0.00 C ATOM 214 CG ASP A 14 -11.302 0.746 -20.220 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.153 1.951 -20.096 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.091 0.137 -21.256 1.00 0.00 O ATOM 0 H ASP A 14 -10.073 -1.729 -19.684 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.996 0.490 -17.936 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.294 -0.952 -19.330 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.501 0.541 -18.436 1.00 0.00 H new ATOM 221 N GLU A 15 -11.268 -2.314 -16.789 1.00 0.00 N ATOM 222 CA GLU A 15 -11.739 -3.014 -15.597 1.00 0.00 C ATOM 223 C GLU A 15 -10.682 -2.961 -14.489 1.00 0.00 C ATOM 224 O GLU A 15 -11.005 -2.740 -13.322 1.00 0.00 O ATOM 225 CB GLU A 15 -12.066 -4.475 -15.939 1.00 0.00 C ATOM 226 CG GLU A 15 -10.783 -5.260 -16.241 1.00 0.00 C ATOM 227 CD GLU A 15 -11.125 -6.534 -17.003 1.00 0.00 C ATOM 228 OE1 GLU A 15 -11.375 -7.539 -16.358 1.00 0.00 O ATOM 229 OE2 GLU A 15 -11.129 -6.489 -18.222 1.00 0.00 O ATOM 0 H GLU A 15 -11.089 -2.921 -17.589 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.643 -2.520 -15.240 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.595 -4.939 -15.107 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.732 -4.512 -16.801 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.100 -4.646 -16.828 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.270 -5.508 -15.312 1.00 0.00 H new ATOM 236 N GLN A 16 -9.417 -3.153 -14.878 1.00 0.00 N ATOM 237 CA GLN A 16 -8.307 -3.115 -13.922 1.00 0.00 C ATOM 238 C GLN A 16 -8.163 -1.710 -13.351 1.00 0.00 C ATOM 239 O GLN A 16 -8.126 -1.527 -12.135 1.00 0.00 O ATOM 240 CB GLN A 16 -6.992 -3.524 -14.595 1.00 0.00 C ATOM 241 CG GLN A 16 -7.059 -4.999 -15.008 1.00 0.00 C ATOM 242 CD GLN A 16 -6.570 -5.878 -13.859 1.00 0.00 C ATOM 243 OE1 GLN A 16 -7.201 -5.940 -12.804 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.471 -6.569 -14.003 1.00 0.00 N ATOM 0 H GLN A 16 -9.138 -3.335 -15.842 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.525 -3.820 -13.120 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.810 -2.899 -15.470 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.158 -3.365 -13.911 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.082 -5.266 -15.273 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.446 -5.167 -15.893 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.947 -6.518 -14.877 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.136 -7.159 -13.242 1.00 0.00 H new ATOM 253 N LYS A 17 -8.105 -0.717 -14.246 1.00 0.00 N ATOM 254 CA LYS A 17 -7.990 0.678 -13.819 1.00 0.00 C ATOM 255 C LYS A 17 -9.162 1.045 -12.908 1.00 0.00 C ATOM 256 O LYS A 17 -9.002 1.806 -11.958 1.00 0.00 O ATOM 257 CB LYS A 17 -7.979 1.622 -15.026 1.00 0.00 C ATOM 258 CG LYS A 17 -6.534 2.002 -15.367 1.00 0.00 C ATOM 259 CD LYS A 17 -5.956 0.988 -16.362 1.00 0.00 C ATOM 260 CE LYS A 17 -5.978 1.580 -17.775 1.00 0.00 C ATOM 261 NZ LYS A 17 -7.386 1.669 -18.266 1.00 0.00 N ATOM 0 H LYS A 17 -8.135 -0.852 -15.257 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.051 0.787 -13.277 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.451 1.140 -15.882 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.559 2.518 -14.805 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.502 3.004 -15.794 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.929 2.022 -14.460 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.935 0.730 -16.081 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.537 0.066 -16.335 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.521 2.570 -17.771 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.387 0.959 -18.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.387 1.757 -19.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.905 0.811 -17.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.848 2.502 -17.847 1.00 0.00 H new ATOM 275 N ASN A 18 -10.338 0.474 -13.203 1.00 0.00 N ATOM 276 CA ASN A 18 -11.534 0.726 -12.397 1.00 0.00 C ATOM 277 C ASN A 18 -11.353 0.162 -10.983 1.00 0.00 C ATOM 278 O ASN A 18 -11.768 0.781 -10.002 1.00 0.00 O ATOM 279 CB ASN A 18 -12.766 0.079 -13.042 1.00 0.00 C ATOM 280 CG ASN A 18 -13.643 1.162 -13.668 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.555 1.678 -13.022 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.419 1.541 -14.897 1.00 0.00 N ATOM 0 H ASN A 18 -10.483 -0.160 -13.988 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.682 1.805 -12.342 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.457 -0.638 -13.803 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.333 -0.475 -12.293 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.000 2.264 -15.321 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.663 1.114 -15.433 1.00 0.00 H new ATOM 289 N GLU A 19 -10.717 -1.016 -10.894 1.00 0.00 N ATOM 290 CA GLU A 19 -10.468 -1.657 -9.597 1.00 0.00 C ATOM 291 C GLU A 19 -9.544 -0.788 -8.750 1.00 0.00 C ATOM 292 O GLU A 19 -9.867 -0.440 -7.613 1.00 0.00 O ATOM 293 CB GLU A 19 -9.808 -3.030 -9.781 1.00 0.00 C ATOM 294 CG GLU A 19 -10.752 -3.965 -10.539 1.00 0.00 C ATOM 295 CD GLU A 19 -10.703 -5.359 -9.917 1.00 0.00 C ATOM 296 OE1 GLU A 19 -11.430 -5.587 -8.965 1.00 0.00 O ATOM 297 OE2 GLU A 19 -9.938 -6.176 -10.404 1.00 0.00 O ATOM 0 H GLU A 19 -10.369 -1.539 -11.698 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.430 -1.781 -9.099 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.872 -2.922 -10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.562 -3.458 -8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.770 -3.576 -10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.465 -4.014 -11.589 1.00 0.00 H new ATOM 304 N PHE A 20 -8.386 -0.446 -9.325 1.00 0.00 N ATOM 305 CA PHE A 20 -7.404 0.385 -8.622 1.00 0.00 C ATOM 306 C PHE A 20 -7.964 1.782 -8.351 1.00 0.00 C ATOM 307 O PHE A 20 -7.716 2.362 -7.295 1.00 0.00 O ATOM 308 CB PHE A 20 -6.116 0.520 -9.442 1.00 0.00 C ATOM 309 CG PHE A 20 -5.479 -0.837 -9.621 1.00 0.00 C ATOM 310 CD1 PHE A 20 -4.872 -1.481 -8.534 1.00 0.00 C ATOM 311 CD2 PHE A 20 -5.501 -1.456 -10.875 1.00 0.00 C ATOM 312 CE1 PHE A 20 -4.285 -2.740 -8.706 1.00 0.00 C ATOM 313 CE2 PHE A 20 -4.916 -2.714 -11.046 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.308 -3.356 -9.963 1.00 0.00 C ATOM 0 H PHE A 20 -8.108 -0.728 -10.265 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.183 -0.107 -7.675 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.338 0.959 -10.415 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.423 1.194 -8.939 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.857 -1.006 -7.564 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.971 -0.961 -11.712 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.815 -3.236 -7.870 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.934 -3.190 -12.015 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.856 -4.328 -10.096 1.00 0.00 H new ATOM 324 N LYS A 21 -8.722 2.314 -9.319 1.00 0.00 N ATOM 325 CA LYS A 21 -9.316 3.647 -9.176 1.00 0.00 C ATOM 326 C LYS A 21 -10.278 3.684 -7.990 1.00 0.00 C ATOM 327 O LYS A 21 -10.240 4.609 -7.182 1.00 0.00 O ATOM 328 CB LYS A 21 -10.072 4.042 -10.451 1.00 0.00 C ATOM 329 CG LYS A 21 -10.531 5.501 -10.353 1.00 0.00 C ATOM 330 CD LYS A 21 -9.313 6.414 -10.178 1.00 0.00 C ATOM 331 CE LYS A 21 -9.536 7.727 -10.940 1.00 0.00 C ATOM 332 NZ LYS A 21 -10.543 8.567 -10.224 1.00 0.00 N ATOM 0 H LYS A 21 -8.936 1.847 -10.200 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.506 4.355 -9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.429 3.912 -11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.933 3.389 -10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.081 5.781 -11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.213 5.622 -9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.150 6.620 -9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.417 5.916 -10.548 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.595 8.270 -11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.880 7.516 -11.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.239 9.561 -10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.466 8.480 -10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.626 8.245 -9.239 1.00 0.00 H new ATOM 346 N ALA A 22 -11.133 2.662 -7.890 1.00 0.00 N ATOM 347 CA ALA A 22 -12.094 2.584 -6.788 1.00 0.00 C ATOM 348 C ALA A 22 -11.359 2.411 -5.458 1.00 0.00 C ATOM 349 O ALA A 22 -11.693 3.055 -4.466 1.00 0.00 O ATOM 350 CB ALA A 22 -13.052 1.409 -6.990 1.00 0.00 C ATOM 0 H ALA A 22 -11.179 1.886 -8.551 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.666 3.512 -6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.758 1.368 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.597 1.541 -7.925 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.484 0.479 -7.029 1.00 0.00 H new ATOM 356 N ALA A 23 -10.341 1.541 -5.463 1.00 0.00 N ATOM 357 CA ALA A 23 -9.536 1.291 -4.263 1.00 0.00 C ATOM 358 C ALA A 23 -8.756 2.548 -3.862 1.00 0.00 C ATOM 359 O ALA A 23 -8.387 2.715 -2.697 1.00 0.00 O ATOM 360 CB ALA A 23 -8.542 0.151 -4.512 1.00 0.00 C ATOM 0 H ALA A 23 -10.057 1.001 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.217 1.015 -3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.953 -0.021 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.087 -0.757 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.878 0.420 -5.334 1.00 0.00 H new ATOM 366 N PHE A 24 -8.513 3.428 -4.838 1.00 0.00 N ATOM 367 CA PHE A 24 -7.785 4.666 -4.585 1.00 0.00 C ATOM 368 C PHE A 24 -8.749 5.756 -4.108 1.00 0.00 C ATOM 369 O PHE A 24 -8.542 6.360 -3.058 1.00 0.00 O ATOM 370 CB PHE A 24 -7.085 5.132 -5.872 1.00 0.00 C ATOM 371 CG PHE A 24 -5.874 5.972 -5.536 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.651 5.357 -5.241 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.975 7.368 -5.522 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.530 6.137 -4.933 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.855 8.149 -5.215 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.633 7.533 -4.919 1.00 0.00 C ATOM 0 H PHE A 24 -8.810 3.303 -5.806 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.040 4.482 -3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.784 4.268 -6.464 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.779 5.710 -6.483 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.572 4.280 -5.251 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.918 7.843 -5.748 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.587 5.662 -4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.933 9.226 -5.206 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.769 8.135 -4.680 1.00 0.00 H new ATOM 386 N ASP A 25 -9.801 5.993 -4.901 1.00 0.00 N ATOM 387 CA ASP A 25 -10.804 7.021 -4.586 1.00 0.00 C ATOM 388 C ASP A 25 -11.377 6.871 -3.175 1.00 0.00 C ATOM 389 O ASP A 25 -11.559 7.867 -2.473 1.00 0.00 O ATOM 390 CB ASP A 25 -11.959 6.966 -5.591 1.00 0.00 C ATOM 391 CG ASP A 25 -11.624 7.821 -6.809 1.00 0.00 C ATOM 392 OD1 ASP A 25 -10.646 7.517 -7.473 1.00 0.00 O ATOM 393 OD2 ASP A 25 -12.349 8.767 -7.061 1.00 0.00 O ATOM 0 H ASP A 25 -9.981 5.486 -5.768 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.290 7.980 -4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.139 5.935 -5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.877 7.325 -5.125 1.00 0.00 H new ATOM 398 N ILE A 26 -11.668 5.630 -2.766 1.00 0.00 N ATOM 399 CA ILE A 26 -12.229 5.395 -1.427 1.00 0.00 C ATOM 400 C ILE A 26 -11.332 6.008 -0.346 1.00 0.00 C ATOM 401 O ILE A 26 -11.820 6.513 0.666 1.00 0.00 O ATOM 402 CB ILE A 26 -12.408 3.896 -1.154 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.080 3.163 -1.381 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.478 3.334 -2.095 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.253 1.669 -1.097 1.00 0.00 C ATOM 0 H ILE A 26 -11.529 4.790 -3.327 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.207 5.875 -1.396 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.720 3.751 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.744 3.310 -2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.310 3.579 -0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.608 2.269 -1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.422 3.851 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.167 3.482 -3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.306 1.155 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.568 1.529 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.009 1.257 -1.765 1.00 0.00 H new ATOM 417 N PHE A 27 -10.016 5.970 -0.582 1.00 0.00 N ATOM 418 CA PHE A 27 -9.055 6.534 0.368 1.00 0.00 C ATOM 419 C PHE A 27 -8.829 8.028 0.102 1.00 0.00 C ATOM 420 O PHE A 27 -8.520 8.788 1.022 1.00 0.00 O ATOM 421 CB PHE A 27 -7.710 5.805 0.274 1.00 0.00 C ATOM 422 CG PHE A 27 -7.738 4.573 1.150 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.221 3.362 0.639 1.00 0.00 C ATOM 424 CD2 PHE A 27 -7.284 4.642 2.472 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.249 2.221 1.450 1.00 0.00 C ATOM 426 CE2 PHE A 27 -7.312 3.501 3.283 1.00 0.00 C ATOM 427 CZ PHE A 27 -7.795 2.290 2.772 1.00 0.00 C ATOM 0 H PHE A 27 -9.596 5.558 -1.415 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.472 6.406 1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.509 5.524 -0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.903 6.468 0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.572 3.308 -0.381 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.912 5.576 2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.621 1.287 1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.961 3.555 4.303 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.817 1.410 3.398 1.00 0.00 H new ATOM 437 N ILE A 28 -8.981 8.442 -1.166 1.00 0.00 N ATOM 438 CA ILE A 28 -8.784 9.852 -1.535 1.00 0.00 C ATOM 439 C ILE A 28 -10.110 10.624 -1.483 1.00 0.00 C ATOM 440 O ILE A 28 -10.346 11.535 -2.281 1.00 0.00 O ATOM 441 CB ILE A 28 -8.180 9.970 -2.951 1.00 0.00 C ATOM 442 CG1 ILE A 28 -7.037 8.966 -3.142 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.622 11.378 -3.170 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.198 8.853 -1.865 1.00 0.00 C ATOM 0 H ILE A 28 -9.236 7.831 -1.942 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.092 10.285 -0.813 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.974 9.761 -3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.444 7.989 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.405 9.281 -3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.199 11.450 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.424 12.108 -3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.845 11.580 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.392 8.136 -2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.774 9.827 -1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.830 8.516 -1.043 1.00 0.00 H new ATOM 456 N GLN A 29 -10.968 10.267 -0.520 1.00 0.00 N ATOM 457 CA GLN A 29 -12.256 10.956 -0.366 1.00 0.00 C ATOM 458 C GLN A 29 -12.026 12.374 0.168 1.00 0.00 C ATOM 459 O GLN A 29 -12.749 13.307 -0.184 1.00 0.00 O ATOM 460 CB GLN A 29 -13.202 10.193 0.580 1.00 0.00 C ATOM 461 CG GLN A 29 -12.472 9.781 1.865 1.00 0.00 C ATOM 462 CD GLN A 29 -13.488 9.290 2.894 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.409 10.020 3.265 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.376 8.085 3.385 1.00 0.00 N ATOM 0 H GLN A 29 -10.800 9.519 0.153 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.728 11.001 -1.347 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.059 10.820 0.828 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.590 9.307 0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.749 8.995 1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.913 10.627 2.265 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.615 7.479 3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.050 7.750 4.074 1.00 0.00 H new ATOM 473 N ASP A 30 -10.993 12.520 1.005 1.00 0.00 N ATOM 474 CA ASP A 30 -10.639 13.824 1.572 1.00 0.00 C ATOM 475 C ASP A 30 -9.142 13.861 1.902 1.00 0.00 C ATOM 476 O ASP A 30 -8.732 14.301 2.979 1.00 0.00 O ATOM 477 CB ASP A 30 -11.458 14.121 2.841 1.00 0.00 C ATOM 478 CG ASP A 30 -11.617 12.858 3.690 1.00 0.00 C ATOM 479 OD1 ASP A 30 -10.617 12.368 4.190 1.00 0.00 O ATOM 480 OD2 ASP A 30 -12.739 12.402 3.830 1.00 0.00 O ATOM 0 H ASP A 30 -10.390 11.754 1.303 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.869 14.589 0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.964 14.898 3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.440 14.505 2.565 1.00 0.00 H new ATOM 485 N ALA A 31 -8.332 13.385 0.951 1.00 0.00 N ATOM 486 CA ALA A 31 -6.878 13.352 1.124 1.00 0.00 C ATOM 487 C ALA A 31 -6.286 14.760 1.040 1.00 0.00 C ATOM 488 O ALA A 31 -6.913 15.683 0.514 1.00 0.00 O ATOM 489 CB ALA A 31 -6.235 12.476 0.045 1.00 0.00 C ATOM 0 H ALA A 31 -8.658 13.019 0.057 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.669 12.936 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.154 12.460 0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.625 11.461 0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.467 12.882 -0.939 1.00 0.00 H new ATOM 495 N GLU A 32 -5.069 14.908 1.566 1.00 0.00 N ATOM 496 CA GLU A 32 -4.384 16.206 1.553 1.00 0.00 C ATOM 497 C GLU A 32 -3.703 16.448 0.205 1.00 0.00 C ATOM 498 O GLU A 32 -3.810 17.532 -0.369 1.00 0.00 O ATOM 499 CB GLU A 32 -3.328 16.277 2.661 1.00 0.00 C ATOM 500 CG GLU A 32 -4.013 16.311 4.032 1.00 0.00 C ATOM 501 CD GLU A 32 -3.028 16.810 5.085 1.00 0.00 C ATOM 502 OE1 GLU A 32 -2.309 15.991 5.633 1.00 0.00 O ATOM 503 OE2 GLU A 32 -3.008 18.006 5.331 1.00 0.00 O ATOM 0 H GLU A 32 -4.539 14.154 2.003 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.139 16.974 1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.663 15.415 2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.711 17.166 2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.885 16.964 3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.370 15.315 4.296 1.00 0.00 H new ATOM 510 N ASP A 33 -2.998 15.425 -0.286 1.00 0.00 N ATOM 511 CA ASP A 33 -2.293 15.534 -1.568 1.00 0.00 C ATOM 512 C ASP A 33 -2.911 14.608 -2.627 1.00 0.00 C ATOM 513 O ASP A 33 -2.262 14.271 -3.621 1.00 0.00 O ATOM 514 CB ASP A 33 -0.813 15.173 -1.389 1.00 0.00 C ATOM 515 CG ASP A 33 -0.173 16.110 -0.368 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.220 17.198 -0.756 1.00 0.00 O ATOM 517 OD2 ASP A 33 -0.087 15.727 0.788 1.00 0.00 O ATOM 0 H ASP A 33 -2.900 14.522 0.178 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.386 16.565 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.719 14.139 -1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.292 15.250 -2.343 1.00 0.00 H new ATOM 522 N GLY A 34 -4.169 14.202 -2.410 1.00 0.00 N ATOM 523 CA GLY A 34 -4.859 13.318 -3.354 1.00 0.00 C ATOM 524 C GLY A 34 -4.174 11.952 -3.443 1.00 0.00 C ATOM 525 O GLY A 34 -4.143 11.332 -4.507 1.00 0.00 O ATOM 0 H GLY A 34 -4.724 14.469 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.895 13.187 -3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.879 13.781 -4.340 1.00 0.00 H new ATOM 529 N CYS A 35 -3.623 11.492 -2.313 1.00 0.00 N ATOM 530 CA CYS A 35 -2.934 10.199 -2.267 1.00 0.00 C ATOM 531 C CYS A 35 -3.223 9.485 -0.945 1.00 0.00 C ATOM 532 O CYS A 35 -3.898 10.026 -0.066 1.00 0.00 O ATOM 533 CB CYS A 35 -1.422 10.393 -2.402 1.00 0.00 C ATOM 534 SG CYS A 35 -1.059 11.364 -3.885 1.00 0.00 S ATOM 0 H CYS A 35 -3.641 11.993 -1.425 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.301 9.595 -3.097 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.031 10.900 -1.520 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.925 9.424 -2.460 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.563 12.555 -3.758 1.00 0.00 H new ATOM 540 N ILE A 36 -2.696 8.263 -0.812 1.00 0.00 N ATOM 541 CA ILE A 36 -2.896 7.484 0.413 1.00 0.00 C ATOM 542 C ILE A 36 -1.609 7.465 1.243 1.00 0.00 C ATOM 543 O ILE A 36 -0.566 7.947 0.800 1.00 0.00 O ATOM 544 CB ILE A 36 -3.326 6.045 0.085 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.249 5.350 -0.755 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.641 6.067 -0.698 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.525 4.318 0.106 1.00 0.00 C ATOM 0 H ILE A 36 -2.136 7.798 -1.526 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.689 7.958 0.990 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.462 5.497 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.702 4.865 -1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.539 6.084 -1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.944 5.046 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.414 6.547 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.503 6.623 -1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.758 3.822 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.059 4.816 0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.240 3.578 0.466 1.00 0.00 H new ATOM 559 N SER A 37 -1.695 6.915 2.455 1.00 0.00 N ATOM 560 CA SER A 37 -0.532 6.851 3.339 1.00 0.00 C ATOM 561 C SER A 37 0.194 5.516 3.194 1.00 0.00 C ATOM 562 O SER A 37 -0.411 4.492 2.870 1.00 0.00 O ATOM 563 CB SER A 37 -0.959 7.032 4.799 1.00 0.00 C ATOM 564 OG SER A 37 0.191 7.280 5.601 1.00 0.00 O ATOM 0 H SER A 37 -2.548 6.512 2.843 1.00 0.00 H new ATOM 0 HA SER A 37 0.144 7.656 3.052 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.661 7.862 4.884 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.476 6.140 5.151 1.00 0.00 H new ATOM 0 HG SER A 37 -0.081 7.398 6.535 1.00 0.00 H new ATOM 570 N THR A 38 1.501 5.546 3.453 1.00 0.00 N ATOM 571 CA THR A 38 2.333 4.340 3.369 1.00 0.00 C ATOM 572 C THR A 38 1.784 3.243 4.287 1.00 0.00 C ATOM 573 O THR A 38 1.685 2.082 3.894 1.00 0.00 O ATOM 574 CB THR A 38 3.783 4.649 3.768 1.00 0.00 C ATOM 575 OG1 THR A 38 3.798 5.358 5.002 1.00 0.00 O ATOM 576 CG2 THR A 38 4.445 5.500 2.683 1.00 0.00 C ATOM 0 H THR A 38 2.008 6.389 3.722 1.00 0.00 H new ATOM 0 HA THR A 38 2.311 3.994 2.336 1.00 0.00 H new ATOM 0 HB THR A 38 4.332 3.714 3.880 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.724 5.553 5.256 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.474 5.718 2.969 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.438 4.955 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.895 6.434 2.567 1.00 0.00 H new ATOM 584 N LYS A 39 1.423 3.633 5.514 1.00 0.00 N ATOM 585 CA LYS A 39 0.874 2.685 6.488 1.00 0.00 C ATOM 586 C LYS A 39 -0.495 2.151 6.040 1.00 0.00 C ATOM 587 O LYS A 39 -0.882 1.037 6.397 1.00 0.00 O ATOM 588 CB LYS A 39 0.735 3.356 7.861 1.00 0.00 C ATOM 589 CG LYS A 39 -0.266 4.516 7.779 1.00 0.00 C ATOM 590 CD LYS A 39 -0.441 5.145 9.164 1.00 0.00 C ATOM 591 CE LYS A 39 -1.539 4.404 9.929 1.00 0.00 C ATOM 592 NZ LYS A 39 -2.246 5.354 10.837 1.00 0.00 N ATOM 0 H LYS A 39 1.500 4.591 5.854 1.00 0.00 H new ATOM 0 HA LYS A 39 1.566 1.846 6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.400 2.627 8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.705 3.725 8.195 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.088 5.265 7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.226 4.156 7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.497 5.098 9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.700 6.199 9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.247 3.959 9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.106 3.587 10.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.992 4.848 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.567 5.758 11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.672 6.119 10.276 1.00 0.00 H new ATOM 606 N GLU A 40 -1.221 2.957 5.252 1.00 0.00 N ATOM 607 CA GLU A 40 -2.543 2.557 4.758 1.00 0.00 C ATOM 608 C GLU A 40 -2.440 1.637 3.531 1.00 0.00 C ATOM 609 O GLU A 40 -3.461 1.207 2.988 1.00 0.00 O ATOM 610 CB GLU A 40 -3.360 3.795 4.372 1.00 0.00 C ATOM 611 CG GLU A 40 -3.778 4.555 5.635 1.00 0.00 C ATOM 612 CD GLU A 40 -4.675 5.728 5.250 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.158 6.695 4.714 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.867 5.643 5.497 1.00 0.00 O ATOM 0 H GLU A 40 -0.917 3.881 4.946 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.035 2.012 5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.770 4.444 3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.243 3.498 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.306 3.888 6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.896 4.916 6.164 1.00 0.00 H new ATOM 621 N LEU A 41 -1.207 1.332 3.095 1.00 0.00 N ATOM 622 CA LEU A 41 -1.003 0.462 1.935 1.00 0.00 C ATOM 623 C LEU A 41 -1.528 -0.947 2.214 1.00 0.00 C ATOM 624 O LEU A 41 -2.152 -1.572 1.355 1.00 0.00 O ATOM 625 CB LEU A 41 0.486 0.388 1.584 1.00 0.00 C ATOM 626 CG LEU A 41 0.811 0.017 0.131 1.00 0.00 C ATOM 627 CD1 LEU A 41 0.508 -1.464 -0.102 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.032 0.872 -0.823 1.00 0.00 C ATOM 0 H LEU A 41 -0.347 1.673 3.526 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.554 0.885 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.940 1.354 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.959 -0.342 2.240 1.00 0.00 H new ATOM 0 HG LEU A 41 1.868 0.203 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.740 -1.725 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.116 -2.070 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.548 -1.654 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.202 0.605 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.090 0.693 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.192 1.926 -0.661 1.00 0.00 H new ATOM 640 N GLY A 42 -1.280 -1.440 3.429 1.00 0.00 N ATOM 641 CA GLY A 42 -1.745 -2.772 3.815 1.00 0.00 C ATOM 642 C GLY A 42 -3.278 -2.858 3.800 1.00 0.00 C ATOM 643 O GLY A 42 -3.842 -3.948 3.697 1.00 0.00 O ATOM 0 H GLY A 42 -0.765 -0.942 4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.331 -3.515 3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.376 -3.013 4.812 1.00 0.00 H new ATOM 647 N LYS A 43 -3.942 -1.698 3.910 1.00 0.00 N ATOM 648 CA LYS A 43 -5.408 -1.652 3.917 1.00 0.00 C ATOM 649 C LYS A 43 -5.980 -1.599 2.496 1.00 0.00 C ATOM 650 O LYS A 43 -7.024 -2.194 2.220 1.00 0.00 O ATOM 651 CB LYS A 43 -5.903 -0.424 4.691 1.00 0.00 C ATOM 652 CG LYS A 43 -5.349 -0.455 6.118 1.00 0.00 C ATOM 653 CD LYS A 43 -5.850 0.767 6.892 1.00 0.00 C ATOM 654 CE LYS A 43 -5.677 0.530 8.395 1.00 0.00 C ATOM 655 NZ LYS A 43 -6.678 1.341 9.149 1.00 0.00 N ATOM 0 H LYS A 43 -3.490 -0.787 3.995 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.753 -2.565 4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.584 0.488 4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.993 -0.412 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.663 -1.370 6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.259 -0.462 6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.296 1.655 6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.899 0.951 6.661 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.805 -0.528 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.667 0.803 8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.559 1.179 10.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.536 2.350 8.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.638 1.060 8.864 1.00 0.00 H new ATOM 669 N VAL A 44 -5.301 -0.871 1.600 1.00 0.00 N ATOM 670 CA VAL A 44 -5.777 -0.743 0.215 1.00 0.00 C ATOM 671 C VAL A 44 -5.672 -2.076 -0.540 1.00 0.00 C ATOM 672 O VAL A 44 -6.531 -2.390 -1.366 1.00 0.00 O ATOM 673 CB VAL A 44 -5.001 0.343 -0.546 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.293 1.713 0.071 1.00 0.00 C ATOM 675 CG2 VAL A 44 -3.496 0.070 -0.478 1.00 0.00 C ATOM 0 H VAL A 44 -4.436 -0.370 1.803 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.826 -0.453 0.267 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.319 0.332 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.741 2.481 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.361 1.920 0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.985 1.714 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.960 0.848 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.173 0.067 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.281 -0.900 -0.927 1.00 0.00 H new ATOM 685 N MET A 45 -4.625 -2.859 -0.245 1.00 0.00 N ATOM 686 CA MET A 45 -4.444 -4.159 -0.905 1.00 0.00 C ATOM 687 C MET A 45 -5.554 -5.127 -0.500 1.00 0.00 C ATOM 688 O MET A 45 -5.976 -5.972 -1.292 1.00 0.00 O ATOM 689 CB MET A 45 -3.094 -4.774 -0.537 1.00 0.00 C ATOM 690 CG MET A 45 -1.973 -3.875 -1.053 1.00 0.00 C ATOM 691 SD MET A 45 -0.375 -4.675 -0.768 1.00 0.00 S ATOM 692 CE MET A 45 -0.391 -4.555 1.036 1.00 0.00 C ATOM 0 H MET A 45 -3.902 -2.621 0.434 1.00 0.00 H new ATOM 0 HA MET A 45 -4.482 -3.989 -1.981 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.016 -4.888 0.544 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.005 -5.770 -0.970 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.109 -3.681 -2.117 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.004 -2.910 -0.546 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.583 -4.848 1.429 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.607 -3.528 1.330 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.158 -5.217 1.438 1.00 0.00 H new ATOM 702 N ARG A 46 -6.028 -4.984 0.742 1.00 0.00 N ATOM 703 CA ARG A 46 -7.103 -5.840 1.251 1.00 0.00 C ATOM 704 C ARG A 46 -8.371 -5.643 0.417 1.00 0.00 C ATOM 705 O ARG A 46 -9.071 -6.605 0.098 1.00 0.00 O ATOM 706 CB ARG A 46 -7.407 -5.514 2.719 1.00 0.00 C ATOM 707 CG ARG A 46 -6.752 -6.565 3.622 1.00 0.00 C ATOM 708 CD ARG A 46 -6.121 -5.882 4.841 1.00 0.00 C ATOM 709 NE ARG A 46 -4.770 -6.399 5.081 1.00 0.00 N ATOM 710 CZ ARG A 46 -4.557 -7.573 5.696 1.00 0.00 C ATOM 711 NH1 ARG A 46 -5.561 -8.309 6.109 1.00 0.00 N ATOM 712 NH2 ARG A 46 -3.331 -7.990 5.882 1.00 0.00 N ATOM 0 H ARG A 46 -5.688 -4.290 1.408 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.775 -6.877 1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.032 -4.521 2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.484 -5.498 2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.495 -7.293 3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.991 -7.112 3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.081 -4.805 4.680 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.742 -6.050 5.721 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.968 -5.850 4.771 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.519 -7.991 5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.383 -9.199 6.575 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.546 -7.424 5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.161 -8.881 6.348 1.00 0.00 H new ATOM 726 N MET A 47 -8.642 -4.382 0.053 1.00 0.00 N ATOM 727 CA MET A 47 -9.816 -4.059 -0.764 1.00 0.00 C ATOM 728 C MET A 47 -9.708 -4.726 -2.139 1.00 0.00 C ATOM 729 O MET A 47 -10.709 -5.174 -2.701 1.00 0.00 O ATOM 730 CB MET A 47 -9.942 -2.542 -0.961 1.00 0.00 C ATOM 731 CG MET A 47 -10.345 -1.877 0.360 1.00 0.00 C ATOM 732 SD MET A 47 -12.147 -1.899 0.526 1.00 0.00 S ATOM 733 CE MET A 47 -12.265 -0.726 1.899 1.00 0.00 C ATOM 0 H MET A 47 -8.070 -3.577 0.309 1.00 0.00 H new ATOM 0 HA MET A 47 -10.697 -4.430 -0.241 1.00 0.00 H new ATOM 0 HB2 MET A 47 -8.995 -2.132 -1.311 1.00 0.00 H new ATOM 0 HB3 MET A 47 -10.685 -2.326 -1.729 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.886 -2.402 1.198 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.980 -0.850 0.388 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.934 -1.125 2.662 1.00 0.00 H new ATOM 0 HE2 MET A 47 -11.276 -0.570 2.330 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.656 0.224 1.534 1.00 0.00 H new ATOM 743 N LEU A 48 -8.478 -4.792 -2.668 1.00 0.00 N ATOM 744 CA LEU A 48 -8.242 -5.414 -3.975 1.00 0.00 C ATOM 745 C LEU A 48 -8.441 -6.929 -3.890 1.00 0.00 C ATOM 746 O LEU A 48 -9.159 -7.518 -4.701 1.00 0.00 O ATOM 747 CB LEU A 48 -6.816 -5.128 -4.464 1.00 0.00 C ATOM 748 CG LEU A 48 -6.660 -3.886 -5.348 1.00 0.00 C ATOM 749 CD1 LEU A 48 -5.187 -3.470 -5.388 1.00 0.00 C ATOM 750 CD2 LEU A 48 -7.137 -4.204 -6.769 1.00 0.00 C ATOM 0 H LEU A 48 -7.640 -4.426 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.957 -4.989 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.167 -5.018 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.460 -5.995 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.258 -3.073 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.075 -2.587 -6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.846 -3.242 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.590 -4.285 -5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.026 -3.320 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.540 -5.018 -7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.186 -4.501 -6.743 1.00 0.00 H new ATOM 762 N GLY A 49 -7.796 -7.549 -2.896 1.00 0.00 N ATOM 763 CA GLY A 49 -7.902 -8.996 -2.702 1.00 0.00 C ATOM 764 C GLY A 49 -6.560 -9.589 -2.275 1.00 0.00 C ATOM 765 O GLY A 49 -5.997 -10.438 -2.969 1.00 0.00 O ATOM 0 H GLY A 49 -7.199 -7.074 -2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.656 -9.211 -1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.235 -9.467 -3.627 1.00 0.00 H new ATOM 769 N GLN A 50 -6.057 -9.130 -1.125 1.00 0.00 N ATOM 770 CA GLN A 50 -4.776 -9.618 -0.604 1.00 0.00 C ATOM 771 C GLN A 50 -4.779 -9.611 0.925 1.00 0.00 C ATOM 772 O GLN A 50 -5.497 -8.833 1.556 1.00 0.00 O ATOM 773 CB GLN A 50 -3.622 -8.741 -1.104 1.00 0.00 C ATOM 774 CG GLN A 50 -3.050 -9.331 -2.397 1.00 0.00 C ATOM 775 CD GLN A 50 -1.872 -8.485 -2.874 1.00 0.00 C ATOM 776 OE1 GLN A 50 -1.953 -7.256 -2.906 1.00 0.00 O ATOM 777 NE2 GLN A 50 -0.770 -9.075 -3.255 1.00 0.00 N ATOM 0 H GLN A 50 -6.512 -8.428 -0.542 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.638 -10.638 -0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.975 -7.725 -1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.843 -8.680 -0.344 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.727 -10.358 -2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.822 -9.363 -3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.701 -10.092 -3.229 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.021 -8.518 -3.578 1.00 0.00 H new ATOM 786 N ASN A 51 -3.962 -10.491 1.513 1.00 0.00 N ATOM 787 CA ASN A 51 -3.873 -10.584 2.971 1.00 0.00 C ATOM 788 C ASN A 51 -2.428 -10.867 3.407 1.00 0.00 C ATOM 789 O ASN A 51 -2.115 -11.954 3.903 1.00 0.00 O ATOM 790 CB ASN A 51 -4.797 -11.698 3.487 1.00 0.00 C ATOM 791 CG ASN A 51 -5.180 -11.428 4.941 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.319 -11.157 5.780 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.435 -11.491 5.297 1.00 0.00 N ATOM 0 H ASN A 51 -3.360 -11.141 1.008 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.187 -9.630 3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.694 -11.752 2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.296 -12.663 3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.700 -11.316 6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.151 -11.715 4.606 1.00 0.00 H new ATOM 800 N PRO A 52 -1.534 -9.885 3.227 1.00 0.00 N ATOM 801 CA PRO A 52 -0.113 -10.022 3.606 1.00 0.00 C ATOM 802 C PRO A 52 0.140 -9.689 5.078 1.00 0.00 C ATOM 803 O PRO A 52 -0.794 -9.557 5.873 1.00 0.00 O ATOM 804 CB PRO A 52 0.555 -8.985 2.708 1.00 0.00 C ATOM 805 CG PRO A 52 -0.507 -7.949 2.358 1.00 0.00 C ATOM 806 CD PRO A 52 -1.878 -8.579 2.631 1.00 0.00 C ATOM 0 HA PRO A 52 0.256 -11.040 3.486 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.397 -8.517 3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.950 -9.453 1.806 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.374 -7.047 2.956 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.423 -7.653 1.312 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.473 -7.970 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.458 -8.694 1.715 1.00 0.00 H new ATOM 814 N THR A 53 1.419 -9.538 5.420 1.00 0.00 N ATOM 815 CA THR A 53 1.814 -9.196 6.788 1.00 0.00 C ATOM 816 C THR A 53 2.217 -7.717 6.842 1.00 0.00 C ATOM 817 O THR A 53 2.292 -7.056 5.802 1.00 0.00 O ATOM 818 CB THR A 53 2.994 -10.074 7.250 1.00 0.00 C ATOM 819 OG1 THR A 53 4.215 -9.555 6.735 1.00 0.00 O ATOM 820 CG2 THR A 53 2.802 -11.511 6.759 1.00 0.00 C ATOM 0 H THR A 53 2.198 -9.647 4.771 1.00 0.00 H new ATOM 0 HA THR A 53 0.970 -9.375 7.455 1.00 0.00 H new ATOM 0 HB THR A 53 3.030 -10.069 8.339 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.791 -10.295 6.452 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.640 -12.124 7.090 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.875 -11.914 7.167 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.754 -11.520 5.670 1.00 0.00 H new ATOM 828 N PRO A 54 2.490 -7.180 8.038 1.00 0.00 N ATOM 829 CA PRO A 54 2.893 -5.764 8.183 1.00 0.00 C ATOM 830 C PRO A 54 4.306 -5.494 7.665 1.00 0.00 C ATOM 831 O PRO A 54 4.615 -4.381 7.233 1.00 0.00 O ATOM 832 CB PRO A 54 2.793 -5.544 9.686 1.00 0.00 C ATOM 833 CG PRO A 54 2.901 -6.910 10.343 1.00 0.00 C ATOM 834 CD PRO A 54 2.433 -7.937 9.310 1.00 0.00 C ATOM 0 HA PRO A 54 2.270 -5.088 7.598 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.589 -4.885 10.033 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.848 -5.066 9.944 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.927 -7.111 10.650 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.285 -6.957 11.241 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.082 -8.812 9.288 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.425 -8.293 9.523 1.00 0.00 H new ATOM 842 N GLU A 55 5.152 -6.527 7.693 1.00 0.00 N ATOM 843 CA GLU A 55 6.526 -6.394 7.203 1.00 0.00 C ATOM 844 C GLU A 55 6.572 -6.564 5.679 1.00 0.00 C ATOM 845 O GLU A 55 7.409 -5.962 5.003 1.00 0.00 O ATOM 846 CB GLU A 55 7.452 -7.431 7.858 1.00 0.00 C ATOM 847 CG GLU A 55 6.892 -8.846 7.669 1.00 0.00 C ATOM 848 CD GLU A 55 7.997 -9.869 7.903 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.203 -10.240 9.047 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.621 -10.269 6.934 1.00 0.00 O ATOM 0 H GLU A 55 4.914 -7.454 8.045 1.00 0.00 H new ATOM 0 HA GLU A 55 6.874 -5.396 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.448 -7.366 7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.557 -7.214 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.070 -9.018 8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.487 -8.956 6.663 1.00 0.00 H new ATOM 857 N GLU A 56 5.658 -7.388 5.149 1.00 0.00 N ATOM 858 CA GLU A 56 5.595 -7.633 3.706 1.00 0.00 C ATOM 859 C GLU A 56 5.092 -6.391 2.973 1.00 0.00 C ATOM 860 O GLU A 56 5.760 -5.886 2.068 1.00 0.00 O ATOM 861 CB GLU A 56 4.667 -8.813 3.393 1.00 0.00 C ATOM 862 CG GLU A 56 5.456 -10.124 3.468 1.00 0.00 C ATOM 863 CD GLU A 56 6.330 -10.272 2.225 1.00 0.00 C ATOM 864 OE1 GLU A 56 5.810 -10.694 1.206 1.00 0.00 O ATOM 865 OE2 GLU A 56 7.507 -9.961 2.311 1.00 0.00 O ATOM 0 H GLU A 56 4.958 -7.891 5.694 1.00 0.00 H new ATOM 0 HA GLU A 56 6.603 -7.871 3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.839 -8.835 4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.234 -8.694 2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.077 -10.135 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.771 -10.968 3.545 1.00 0.00 H new ATOM 872 N LEU A 57 3.911 -5.898 3.374 1.00 0.00 N ATOM 873 CA LEU A 57 3.338 -4.702 2.745 1.00 0.00 C ATOM 874 C LEU A 57 4.308 -3.521 2.841 1.00 0.00 C ATOM 875 O LEU A 57 4.348 -2.669 1.953 1.00 0.00 O ATOM 876 CB LEU A 57 2.011 -4.318 3.409 1.00 0.00 C ATOM 877 CG LEU A 57 2.113 -3.801 4.851 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.171 -2.269 4.850 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.886 -4.264 5.641 1.00 0.00 C ATOM 0 H LEU A 57 3.343 -6.302 4.119 1.00 0.00 H new ATOM 0 HA LEU A 57 3.159 -4.937 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.530 -3.552 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.356 -5.189 3.400 1.00 0.00 H new ATOM 0 HG LEU A 57 3.018 -4.194 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.243 -1.907 5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.043 -1.938 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.268 -1.871 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.954 -3.899 6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.017 -3.870 5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.846 -5.353 5.646 1.00 0.00 H new ATOM 891 N GLN A 58 5.089 -3.485 3.930 1.00 0.00 N ATOM 892 CA GLN A 58 6.059 -2.409 4.138 1.00 0.00 C ATOM 893 C GLN A 58 7.060 -2.354 2.986 1.00 0.00 C ATOM 894 O GLN A 58 7.328 -1.283 2.439 1.00 0.00 O ATOM 895 CB GLN A 58 6.816 -2.605 5.458 1.00 0.00 C ATOM 896 CG GLN A 58 7.525 -1.302 5.847 1.00 0.00 C ATOM 897 CD GLN A 58 6.489 -0.210 6.109 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.030 -0.041 7.239 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.090 0.549 5.123 1.00 0.00 N ATOM 0 H GLN A 58 5.066 -4.184 4.673 1.00 0.00 H new ATOM 0 HA GLN A 58 5.507 -1.470 4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.123 -2.902 6.245 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.544 -3.409 5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.134 -1.460 6.737 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.200 -0.992 5.050 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.470 0.410 4.187 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.399 1.281 5.290 1.00 0.00 H new ATOM 908 N GLU A 59 7.602 -3.522 2.618 1.00 0.00 N ATOM 909 CA GLU A 59 8.569 -3.596 1.518 1.00 0.00 C ATOM 910 C GLU A 59 7.928 -3.159 0.201 1.00 0.00 C ATOM 911 O GLU A 59 8.583 -2.544 -0.641 1.00 0.00 O ATOM 912 CB GLU A 59 9.102 -5.024 1.360 1.00 0.00 C ATOM 913 CG GLU A 59 10.163 -5.298 2.428 1.00 0.00 C ATOM 914 CD GLU A 59 10.398 -6.801 2.540 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.642 -7.450 3.246 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.330 -7.283 1.917 1.00 0.00 O ATOM 0 H GLU A 59 7.391 -4.417 3.060 1.00 0.00 H new ATOM 0 HA GLU A 59 9.393 -2.925 1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.285 -5.740 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.530 -5.155 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.093 -4.792 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.839 -4.898 3.389 1.00 0.00 H new ATOM 923 N MET A 60 6.643 -3.480 0.035 1.00 0.00 N ATOM 924 CA MET A 60 5.919 -3.115 -1.186 1.00 0.00 C ATOM 925 C MET A 60 5.778 -1.596 -1.301 1.00 0.00 C ATOM 926 O MET A 60 5.920 -1.035 -2.387 1.00 0.00 O ATOM 927 CB MET A 60 4.521 -3.746 -1.197 1.00 0.00 C ATOM 928 CG MET A 60 4.635 -5.269 -1.053 1.00 0.00 C ATOM 929 SD MET A 60 4.700 -6.030 -2.693 1.00 0.00 S ATOM 930 CE MET A 60 4.527 -7.748 -2.150 1.00 0.00 C ATOM 0 H MET A 60 6.086 -3.987 0.723 1.00 0.00 H new ATOM 0 HA MET A 60 6.494 -3.490 -2.033 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.922 -3.339 -0.382 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.007 -3.497 -2.126 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.530 -5.525 -0.486 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.783 -5.656 -0.495 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.542 -8.407 -3.018 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.352 -8.004 -1.486 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.583 -7.868 -1.619 1.00 0.00 H new ATOM 940 N ILE A 61 5.488 -0.938 -0.171 1.00 0.00 N ATOM 941 CA ILE A 61 5.318 0.516 -0.152 1.00 0.00 C ATOM 942 C ILE A 61 6.562 1.227 -0.697 1.00 0.00 C ATOM 943 O ILE A 61 6.524 1.809 -1.781 1.00 0.00 O ATOM 944 CB ILE A 61 5.034 0.990 1.278 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.652 0.494 1.699 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.069 2.517 1.339 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.667 0.115 3.177 1.00 0.00 C ATOM 0 H ILE A 61 5.367 -1.389 0.736 1.00 0.00 H new ATOM 0 HA ILE A 61 4.473 0.766 -0.794 1.00 0.00 H new ATOM 0 HB ILE A 61 5.793 0.592 1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.907 1.270 1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.366 -0.368 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.866 2.845 2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.053 2.871 1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.312 2.925 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.679 -0.238 3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.399 -0.675 3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.934 0.987 3.774 1.00 0.00 H new ATOM 959 N ASP A 62 7.658 1.184 0.068 1.00 0.00 N ATOM 960 CA ASP A 62 8.904 1.838 -0.355 1.00 0.00 C ATOM 961 C ASP A 62 9.307 1.416 -1.775 1.00 0.00 C ATOM 962 O ASP A 62 9.852 2.216 -2.536 1.00 0.00 O ATOM 963 CB ASP A 62 10.051 1.516 0.617 1.00 0.00 C ATOM 964 CG ASP A 62 10.431 0.037 0.535 1.00 0.00 C ATOM 965 OD1 ASP A 62 9.824 -0.748 1.238 1.00 0.00 O ATOM 966 OD2 ASP A 62 11.332 -0.285 -0.225 1.00 0.00 O ATOM 0 H ASP A 62 7.710 0.711 0.970 1.00 0.00 H new ATOM 0 HA ASP A 62 8.718 2.912 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.918 2.133 0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.751 1.764 1.635 1.00 0.00 H new ATOM 971 N GLU A 63 9.031 0.149 -2.118 1.00 0.00 N ATOM 972 CA GLU A 63 9.368 -0.374 -3.448 1.00 0.00 C ATOM 973 C GLU A 63 8.654 0.415 -4.548 1.00 0.00 C ATOM 974 O GLU A 63 9.287 0.880 -5.498 1.00 0.00 O ATOM 975 CB GLU A 63 8.973 -1.851 -3.562 1.00 0.00 C ATOM 976 CG GLU A 63 10.160 -2.732 -3.164 1.00 0.00 C ATOM 977 CD GLU A 63 9.812 -4.197 -3.412 1.00 0.00 C ATOM 978 OE1 GLU A 63 9.274 -4.820 -2.511 1.00 0.00 O ATOM 979 OE2 GLU A 63 10.089 -4.675 -4.499 1.00 0.00 O ATOM 0 H GLU A 63 8.580 -0.525 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 63 10.446 -0.270 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.119 -2.060 -2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.665 -2.078 -4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.042 -2.454 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.405 -2.578 -2.113 1.00 0.00 H new ATOM 986 N VAL A 64 7.331 0.557 -4.411 1.00 0.00 N ATOM 987 CA VAL A 64 6.538 1.291 -5.406 1.00 0.00 C ATOM 988 C VAL A 64 6.759 2.805 -5.294 1.00 0.00 C ATOM 989 O VAL A 64 6.556 3.536 -6.265 1.00 0.00 O ATOM 990 CB VAL A 64 5.034 1.001 -5.250 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.779 -0.508 -5.320 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.533 1.543 -3.908 1.00 0.00 C ATOM 0 H VAL A 64 6.792 0.179 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 64 6.874 0.948 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 64 4.497 1.493 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.712 -0.702 -5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.119 -0.890 -6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.324 -1.007 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.468 1.334 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.077 1.062 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.697 2.620 -3.867 1.00 0.00 H new ATOM 1002 N ASP A 65 7.165 3.270 -4.102 1.00 0.00 N ATOM 1003 CA ASP A 65 7.395 4.699 -3.886 1.00 0.00 C ATOM 1004 C ASP A 65 8.650 5.149 -4.634 1.00 0.00 C ATOM 1005 O ASP A 65 9.753 5.183 -4.081 1.00 0.00 O ATOM 1006 CB ASP A 65 7.548 5.005 -2.387 1.00 0.00 C ATOM 1007 CG ASP A 65 6.804 6.297 -2.038 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.051 7.302 -2.686 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.995 6.261 -1.126 1.00 0.00 O ATOM 0 H ASP A 65 7.338 2.683 -3.286 1.00 0.00 H new ATOM 0 HA ASP A 65 6.532 5.245 -4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.154 4.178 -1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.603 5.103 -2.133 1.00 0.00 H new ATOM 1014 N GLU A 66 8.460 5.481 -5.911 1.00 0.00 N ATOM 1015 CA GLU A 66 9.567 5.921 -6.768 1.00 0.00 C ATOM 1016 C GLU A 66 10.167 7.239 -6.272 1.00 0.00 C ATOM 1017 O GLU A 66 11.385 7.421 -6.287 1.00 0.00 O ATOM 1018 CB GLU A 66 9.087 6.114 -8.211 1.00 0.00 C ATOM 1019 CG GLU A 66 8.985 4.754 -8.910 1.00 0.00 C ATOM 1020 CD GLU A 66 10.297 4.447 -9.627 1.00 0.00 C ATOM 1021 OE1 GLU A 66 10.418 4.818 -10.783 1.00 0.00 O ATOM 1022 OE2 GLU A 66 11.161 3.846 -9.010 1.00 0.00 O ATOM 0 H GLU A 66 7.553 5.455 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 66 10.331 5.144 -6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.117 6.610 -8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.779 6.760 -8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.767 3.974 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.162 4.762 -9.624 1.00 0.00 H new ATOM 1029 N ASP A 67 9.298 8.158 -5.839 1.00 0.00 N ATOM 1030 CA ASP A 67 9.752 9.464 -5.350 1.00 0.00 C ATOM 1031 C ASP A 67 10.236 9.371 -3.901 1.00 0.00 C ATOM 1032 O ASP A 67 11.265 9.948 -3.546 1.00 0.00 O ATOM 1033 CB ASP A 67 8.626 10.513 -5.440 1.00 0.00 C ATOM 1034 CG ASP A 67 7.328 9.958 -4.848 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.622 9.265 -5.562 1.00 0.00 O ATOM 1036 OD2 ASP A 67 7.062 10.235 -3.693 1.00 0.00 O ATOM 0 H ASP A 67 8.287 8.024 -5.817 1.00 0.00 H new ATOM 0 HA ASP A 67 10.581 9.774 -5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.919 11.417 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.466 10.796 -6.481 1.00 0.00 H new ATOM 1041 N GLY A 68 9.485 8.647 -3.070 1.00 0.00 N ATOM 1042 CA GLY A 68 9.848 8.494 -1.662 1.00 0.00 C ATOM 1043 C GLY A 68 9.493 9.755 -0.878 1.00 0.00 C ATOM 1044 O GLY A 68 10.335 10.322 -0.179 1.00 0.00 O ATOM 0 H GLY A 68 8.630 8.162 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.327 7.636 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.916 8.293 -1.575 1.00 0.00 H new ATOM 1048 N SER A 69 8.237 10.189 -1.011 1.00 0.00 N ATOM 1049 CA SER A 69 7.768 11.394 -0.321 1.00 0.00 C ATOM 1050 C SER A 69 7.108 11.037 1.011 1.00 0.00 C ATOM 1051 O SER A 69 7.466 11.577 2.060 1.00 0.00 O ATOM 1052 CB SER A 69 6.758 12.155 -1.191 1.00 0.00 C ATOM 1053 OG SER A 69 5.658 11.305 -1.504 1.00 0.00 O ATOM 0 H SER A 69 7.531 9.728 -1.585 1.00 0.00 H new ATOM 0 HA SER A 69 8.636 12.026 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.406 13.042 -0.665 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.238 12.497 -2.108 1.00 0.00 H new ATOM 0 HG SER A 69 5.881 10.755 -2.284 1.00 0.00 H new ATOM 1059 N GLY A 70 6.132 10.129 0.951 1.00 0.00 N ATOM 1060 CA GLY A 70 5.408 9.705 2.149 1.00 0.00 C ATOM 1061 C GLY A 70 4.027 9.160 1.780 1.00 0.00 C ATOM 1062 O GLY A 70 3.510 8.256 2.438 1.00 0.00 O ATOM 0 H GLY A 70 5.826 9.676 0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.979 8.939 2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.302 10.547 2.833 1.00 0.00 H new ATOM 1066 N THR A 71 3.437 9.723 0.718 1.00 0.00 N ATOM 1067 CA THR A 71 2.117 9.289 0.263 1.00 0.00 C ATOM 1068 C THR A 71 2.244 8.456 -1.011 1.00 0.00 C ATOM 1069 O THR A 71 3.168 8.648 -1.807 1.00 0.00 O ATOM 1070 CB THR A 71 1.208 10.495 -0.014 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.707 11.232 -1.128 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.158 11.399 1.222 1.00 0.00 C ATOM 0 H THR A 71 3.851 10.473 0.164 1.00 0.00 H new ATOM 0 HA THR A 71 1.674 8.685 1.054 1.00 0.00 H new ATOM 0 HB THR A 71 0.203 10.140 -0.242 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.122 11.999 -1.301 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.512 12.254 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.764 10.837 2.068 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.163 11.751 1.456 1.00 0.00 H new ATOM 1080 N VAL A 72 1.303 7.530 -1.198 1.00 0.00 N ATOM 1081 CA VAL A 72 1.315 6.672 -2.383 1.00 0.00 C ATOM 1082 C VAL A 72 0.332 7.196 -3.426 1.00 0.00 C ATOM 1083 O VAL A 72 -0.873 7.283 -3.180 1.00 0.00 O ATOM 1084 CB VAL A 72 0.944 5.229 -2.021 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.195 4.316 -3.224 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.799 4.757 -0.841 1.00 0.00 C ATOM 0 H VAL A 72 0.532 7.356 -0.553 1.00 0.00 H new ATOM 0 HA VAL A 72 2.325 6.685 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.110 5.189 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.931 3.291 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.585 4.646 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.248 4.360 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.533 3.731 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.853 4.801 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.620 5.402 0.019 1.00 0.00 H new ATOM 1096 N ASP A 73 0.866 7.538 -4.599 1.00 0.00 N ATOM 1097 CA ASP A 73 0.042 8.053 -5.693 1.00 0.00 C ATOM 1098 C ASP A 73 -0.554 6.894 -6.489 1.00 0.00 C ATOM 1099 O ASP A 73 -0.343 5.727 -6.157 1.00 0.00 O ATOM 1100 CB ASP A 73 0.883 8.924 -6.636 1.00 0.00 C ATOM 1101 CG ASP A 73 1.207 10.261 -5.968 1.00 0.00 C ATOM 1102 OD1 ASP A 73 1.881 10.252 -4.949 1.00 0.00 O ATOM 1103 OD2 ASP A 73 0.780 11.276 -6.490 1.00 0.00 O ATOM 0 H ASP A 73 1.860 7.468 -4.815 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.758 8.656 -5.263 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.806 8.406 -6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.341 9.095 -7.566 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.300 7.228 -7.543 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.923 6.201 -8.381 1.00 0.00 C ATOM 1110 C PHE A 74 -0.864 5.417 -9.161 1.00 0.00 C ATOM 1111 O PHE A 74 -1.000 4.209 -9.357 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.917 6.831 -9.364 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.908 5.788 -9.836 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.473 4.885 -8.925 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.260 5.728 -11.189 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.389 3.925 -9.368 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.177 4.768 -11.631 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.741 3.865 -10.721 1.00 0.00 C ATOM 0 H PHE A 74 -1.486 8.188 -7.835 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.457 5.517 -7.722 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.444 7.655 -8.883 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.382 7.249 -10.217 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.201 4.930 -7.881 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.824 6.422 -11.892 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.825 3.230 -8.666 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.450 4.723 -12.675 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.447 3.123 -11.063 1.00 0.00 H new ATOM 1128 N ASP A 75 0.200 6.109 -9.588 1.00 0.00 N ATOM 1129 CA ASP A 75 1.281 5.453 -10.329 1.00 0.00 C ATOM 1130 C ASP A 75 1.983 4.426 -9.440 1.00 0.00 C ATOM 1131 O ASP A 75 2.350 3.341 -9.896 1.00 0.00 O ATOM 1132 CB ASP A 75 2.306 6.485 -10.810 1.00 0.00 C ATOM 1133 CG ASP A 75 1.941 6.950 -12.218 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.111 7.837 -12.331 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.496 6.410 -13.160 1.00 0.00 O ATOM 0 H ASP A 75 0.334 7.109 -9.435 1.00 0.00 H new ATOM 0 HA ASP A 75 0.845 4.951 -11.192 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.328 7.336 -10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.305 6.049 -10.807 1.00 0.00 H new ATOM 1140 N GLU A 76 2.143 4.779 -8.161 1.00 0.00 N ATOM 1141 CA GLU A 76 2.781 3.889 -7.185 1.00 0.00 C ATOM 1142 C GLU A 76 1.774 2.846 -6.682 1.00 0.00 C ATOM 1143 O GLU A 76 2.150 1.793 -6.165 1.00 0.00 O ATOM 1144 CB GLU A 76 3.302 4.690 -5.981 1.00 0.00 C ATOM 1145 CG GLU A 76 3.955 5.994 -6.464 1.00 0.00 C ATOM 1146 CD GLU A 76 4.165 6.948 -5.284 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.650 6.505 -4.256 1.00 0.00 O ATOM 1148 OE2 GLU A 76 3.839 8.114 -5.429 1.00 0.00 O ATOM 0 H GLU A 76 1.840 5.674 -7.777 1.00 0.00 H new ATOM 0 HA GLU A 76 3.615 3.392 -7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.481 4.915 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.026 4.096 -5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.911 5.776 -6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.325 6.468 -7.217 1.00 0.00 H new ATOM 1155 N PHE A 77 0.488 3.165 -6.841 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.594 2.277 -6.411 1.00 0.00 C ATOM 1157 C PHE A 77 -0.792 1.128 -7.408 1.00 0.00 C ATOM 1158 O PHE A 77 -1.029 -0.014 -7.011 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.896 3.083 -6.290 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.008 2.216 -5.751 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.064 1.916 -4.385 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.989 1.723 -6.619 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.099 1.118 -3.888 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -5.024 0.927 -6.120 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.080 0.624 -4.755 1.00 0.00 C ATOM 0 H PHE A 77 0.170 4.036 -7.266 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.328 1.850 -5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.741 3.937 -5.631 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.177 3.480 -7.266 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.309 2.300 -3.716 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.946 1.957 -7.672 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.141 0.883 -2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.781 0.545 -6.789 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.880 0.009 -4.371 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.711 1.449 -8.702 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.903 0.448 -9.755 1.00 0.00 C ATOM 1177 C LEU A 78 0.313 -0.473 -9.913 1.00 0.00 C ATOM 1178 O LEU A 78 0.161 -1.658 -10.215 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.170 1.142 -11.089 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.466 1.956 -11.152 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.236 3.211 -11.995 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.574 1.107 -11.782 1.00 0.00 C ATOM 0 H LEU A 78 -0.515 2.389 -9.045 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.756 -0.163 -9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.333 1.804 -11.310 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.195 0.387 -11.875 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.764 2.246 -10.145 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.157 3.792 -12.041 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.449 3.814 -11.542 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.938 2.923 -13.003 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.496 1.687 -11.826 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.280 0.815 -12.790 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.736 0.214 -11.178 1.00 0.00 H new ATOM 1194 N VAL A 79 1.520 0.077 -9.716 1.00 0.00 N ATOM 1195 CA VAL A 79 2.749 -0.726 -9.854 1.00 0.00 C ATOM 1196 C VAL A 79 2.753 -1.901 -8.876 1.00 0.00 C ATOM 1197 O VAL A 79 3.379 -2.926 -9.137 1.00 0.00 O ATOM 1198 CB VAL A 79 4.014 0.111 -9.625 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.259 1.014 -10.837 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.868 0.970 -8.367 1.00 0.00 C ATOM 0 H VAL A 79 1.673 1.054 -9.466 1.00 0.00 H new ATOM 0 HA VAL A 79 2.756 -1.099 -10.878 1.00 0.00 H new ATOM 0 HB VAL A 79 4.860 -0.563 -9.493 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.158 1.608 -10.672 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.388 0.400 -11.728 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.406 1.678 -10.974 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.775 1.557 -8.220 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.016 1.640 -8.481 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.709 0.325 -7.503 1.00 0.00 H new ATOM 1210 N MET A 80 2.047 -1.740 -7.752 1.00 0.00 N ATOM 1211 CA MET A 80 1.958 -2.793 -6.734 1.00 0.00 C ATOM 1212 C MET A 80 1.764 -4.177 -7.369 1.00 0.00 C ATOM 1213 O MET A 80 2.326 -5.168 -6.899 1.00 0.00 O ATOM 1214 CB MET A 80 0.776 -2.519 -5.800 1.00 0.00 C ATOM 1215 CG MET A 80 1.250 -1.707 -4.594 1.00 0.00 C ATOM 1216 SD MET A 80 0.070 -1.904 -3.237 1.00 0.00 S ATOM 1217 CE MET A 80 -1.118 -0.653 -3.779 1.00 0.00 C ATOM 0 H MET A 80 1.529 -0.891 -7.524 1.00 0.00 H new ATOM 0 HA MET A 80 2.895 -2.787 -6.177 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.003 -1.975 -6.334 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.337 -3.460 -5.468 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.239 -2.042 -4.282 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.340 -0.654 -4.863 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.890 -0.530 -3.019 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.604 0.296 -3.930 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.578 -0.970 -4.715 1.00 0.00 H new ATOM 1227 N MET A 81 0.956 -4.230 -8.435 1.00 0.00 N ATOM 1228 CA MET A 81 0.685 -5.497 -9.123 1.00 0.00 C ATOM 1229 C MET A 81 1.911 -5.989 -9.900 1.00 0.00 C ATOM 1230 O MET A 81 2.361 -7.120 -9.705 1.00 0.00 O ATOM 1231 CB MET A 81 -0.496 -5.343 -10.086 1.00 0.00 C ATOM 1232 CG MET A 81 -1.805 -5.622 -9.339 1.00 0.00 C ATOM 1233 SD MET A 81 -2.875 -6.667 -10.360 1.00 0.00 S ATOM 1234 CE MET A 81 -2.313 -8.266 -9.723 1.00 0.00 C ATOM 0 H MET A 81 0.483 -3.420 -8.836 1.00 0.00 H new ATOM 0 HA MET A 81 0.440 -6.234 -8.359 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.510 -4.336 -10.503 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.389 -6.033 -10.923 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.596 -6.116 -8.390 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.310 -4.684 -9.106 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.853 -9.068 -10.226 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.245 -8.376 -9.908 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.502 -8.317 -8.651 1.00 0.00 H new ATOM 1244 N VAL A 82 2.444 -5.138 -10.786 1.00 0.00 N ATOM 1245 CA VAL A 82 3.620 -5.514 -11.591 1.00 0.00 C ATOM 1246 C VAL A 82 4.840 -5.792 -10.704 1.00 0.00 C ATOM 1247 O VAL A 82 5.672 -6.637 -11.033 1.00 0.00 O ATOM 1248 CB VAL A 82 3.982 -4.421 -12.612 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.932 -4.387 -13.724 1.00 0.00 C ATOM 1250 CG2 VAL A 82 4.042 -3.053 -11.926 1.00 0.00 C ATOM 0 H VAL A 82 2.089 -4.199 -10.964 1.00 0.00 H new ATOM 0 HA VAL A 82 3.350 -6.424 -12.126 1.00 0.00 H new ATOM 0 HB VAL A 82 4.959 -4.648 -13.038 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.191 -3.612 -14.445 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.902 -5.354 -14.226 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.954 -4.170 -13.294 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.299 -2.289 -12.660 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.071 -2.823 -11.488 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.799 -3.072 -11.142 1.00 0.00 H new ATOM 1260 N ARG A 83 4.932 -5.081 -9.573 1.00 0.00 N ATOM 1261 CA ARG A 83 6.049 -5.271 -8.642 1.00 0.00 C ATOM 1262 C ARG A 83 5.991 -6.659 -7.996 1.00 0.00 C ATOM 1263 O ARG A 83 7.016 -7.202 -7.578 1.00 0.00 O ATOM 1264 CB ARG A 83 6.015 -4.211 -7.536 1.00 0.00 C ATOM 1265 CG ARG A 83 6.413 -2.850 -8.113 1.00 0.00 C ATOM 1266 CD ARG A 83 7.124 -2.026 -7.038 1.00 0.00 C ATOM 1267 NE ARG A 83 8.574 -2.234 -7.097 1.00 0.00 N ATOM 1268 CZ ARG A 83 9.346 -1.589 -7.985 1.00 0.00 C ATOM 1269 NH1 ARG A 83 8.825 -0.743 -8.842 1.00 0.00 N ATOM 1270 NH2 ARG A 83 10.636 -1.811 -7.996 1.00 0.00 N ATOM 0 H ARG A 83 4.254 -4.376 -9.283 1.00 0.00 H new ATOM 0 HA ARG A 83 6.972 -5.176 -9.213 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.016 -4.155 -7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.696 -4.489 -6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.068 -2.986 -8.974 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.528 -2.320 -8.466 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.898 -0.969 -7.175 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.752 -2.306 -6.053 1.00 0.00 H new ATOM 0 HE ARG A 83 9.008 -2.887 -6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.820 -0.568 -8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.425 -0.260 -9.511 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.046 -2.469 -7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.231 -1.326 -8.667 1.00 0.00 H new ATOM 1284 N CYS A 84 4.780 -7.229 -7.925 1.00 0.00 N ATOM 1285 CA CYS A 84 4.592 -8.558 -7.336 1.00 0.00 C ATOM 1286 C CYS A 84 5.236 -9.644 -8.206 1.00 0.00 C ATOM 1287 O CYS A 84 5.590 -10.714 -7.709 1.00 0.00 O ATOM 1288 CB CYS A 84 3.101 -8.868 -7.176 1.00 0.00 C ATOM 1289 SG CYS A 84 2.863 -9.997 -5.780 1.00 0.00 S ATOM 0 H CYS A 84 3.923 -6.793 -8.266 1.00 0.00 H new ATOM 0 HA CYS A 84 5.073 -8.553 -6.358 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.543 -7.946 -7.011 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.712 -9.317 -8.090 1.00 0.00 H new ATOM 0 HG CYS A 84 1.597 -10.258 -5.644 1.00 0.00 H new