USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 379 hydrogens (14 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 NoAdj-H: B 26 NVA HD2 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA HD1 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA H2 : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD NoAdj-H: B 26 NVA H : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Set 1.1: B 4 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Set 1.2: B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.2) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 65:sc= 0.783 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0452 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 18 ASN : amide:sc= -0.0809 K(o=-0.081,f=-1.2!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.016 USER MOD Single : A 21 ASN : amide:sc= -0.0632 K(o=-0.063,f=-2) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.67) USER MOD Single : B 5 HIS : no HE2:sc= 0.6 K(o=0.6,f=-2.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.437 0.290 -1.674 1.00 25.00 N ATOM 2 CA GLY A 1 1.301 -0.646 -1.888 1.00 25.00 C ATOM 3 C GLY A 1 0.497 -0.389 -3.128 1.00 25.00 C ATOM 4 O GLY A 1 -0.701 -0.266 -3.152 1.00 25.00 O ATOM 0 H1 GLY A 1 2.934 0.037 -0.796 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.096 0.225 -2.476 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.076 1.263 -1.600 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.690 -1.663 -1.929 1.00 25.00 H new ATOM 0 HA3 GLY A 1 0.638 -0.593 -1.025 1.00 25.00 H new ATOM 9 N ILE A 2 1.194 -0.324 -4.273 1.00 25.00 N ATOM 10 CA ILE A 2 0.528 -0.093 -5.537 1.00 25.00 C ATOM 11 C ILE A 2 -0.466 -1.203 -5.901 1.00 25.00 C ATOM 12 O ILE A 2 -1.456 -0.973 -6.602 1.00 25.00 O ATOM 13 CB ILE A 2 1.557 0.056 -6.638 1.00 25.00 C ATOM 14 CG1 ILE A 2 0.997 0.740 -7.902 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.186 -1.319 -7.011 1.00 25.00 C ATOM 16 CD1 ILE A 2 0.605 2.218 -7.714 1.00 25.00 C ATOM 0 H ILE A 2 2.207 -0.428 -4.337 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.048 0.826 -5.430 1.00 25.00 H new ATOM 0 HB ILE A 2 2.332 0.708 -6.235 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.742 0.674 -8.695 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.121 0.186 -8.241 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.921 -1.180 -7.804 1.00 25.00 H new ATOM 0 HG22 ILE A 2 2.674 -1.746 -6.135 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.404 -1.995 -7.356 1.00 25.00 H new ATOM 0 HD11 ILE A 2 0.222 2.615 -8.654 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -0.165 2.295 -6.947 1.00 25.00 H new ATOM 0 HD13 ILE A 2 1.481 2.791 -7.408 1.00 25.00 H new ATOM 28 N VAL A 3 -0.283 -2.385 -5.324 1.00 25.00 N ATOM 29 CA VAL A 3 -1.169 -3.504 -5.620 1.00 25.00 C ATOM 30 C VAL A 3 -2.605 -3.200 -5.209 1.00 25.00 C ATOM 31 O VAL A 3 -3.489 -3.240 -6.038 1.00 25.00 O ATOM 32 CB VAL A 3 -0.693 -4.784 -4.892 1.00 25.00 C ATOM 33 CG1 VAL A 3 -1.633 -5.942 -5.168 1.00 25.00 C ATOM 34 CG2 VAL A 3 0.709 -5.153 -5.346 1.00 25.00 C ATOM 0 H VAL A 3 0.461 -2.592 -4.657 1.00 25.00 H new ATOM 0 HA VAL A 3 -1.139 -3.664 -6.698 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.688 -4.582 -3.821 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -1.278 -6.831 -4.646 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -2.634 -5.690 -4.817 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -1.663 -6.138 -6.240 1.00 25.00 H new ATOM 0 HG21 VAL A 3 1.034 -6.055 -4.827 1.00 25.00 H new ATOM 0 HG22 VAL A 3 0.708 -5.333 -6.421 1.00 25.00 H new ATOM 0 HG23 VAL A 3 1.393 -4.336 -5.116 1.00 25.00 H new ATOM 44 N GLU A 4 -2.843 -2.847 -3.972 1.00 25.00 N ATOM 45 CA GLU A 4 -4.189 -2.513 -3.551 1.00 25.00 C ATOM 46 C GLU A 4 -4.698 -1.265 -4.333 1.00 25.00 C ATOM 47 O GLU A 4 -5.902 -1.188 -4.571 1.00 25.00 O ATOM 48 CB GLU A 4 -4.233 -2.372 -2.000 1.00 25.00 C ATOM 49 CG GLU A 4 -3.456 -1.155 -1.387 1.00 25.00 C ATOM 50 CD GLU A 4 -2.330 -1.571 -0.502 1.00 25.00 C ATOM 51 OE1 GLU A 4 -2.192 -1.144 0.590 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.553 -2.474 -1.003 1.00 25.00 O ATOM 0 H GLU A 4 -2.134 -2.782 -3.242 1.00 25.00 H new ATOM 0 HA GLU A 4 -4.885 -3.315 -3.797 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -5.276 -2.300 -1.693 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -3.834 -3.287 -1.562 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.067 -0.535 -2.195 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.150 -0.537 -0.817 1.00 25.00 H new ATOM 60 N GLN A 5 -3.820 -0.371 -4.786 1.00 25.00 N ATOM 61 CA GLN A 5 -4.281 0.792 -5.540 1.00 25.00 C ATOM 62 C GLN A 5 -4.926 0.354 -6.849 1.00 25.00 C ATOM 63 O GLN A 5 -5.974 0.820 -7.176 1.00 25.00 O ATOM 64 CB GLN A 5 -3.133 1.809 -5.820 1.00 25.00 C ATOM 65 CG GLN A 5 -3.637 3.223 -6.213 1.00 25.00 C ATOM 66 CD GLN A 5 -4.179 4.000 -5.027 1.00 25.00 C ATOM 67 OE1 GLN A 5 -5.246 3.714 -4.533 1.00 25.00 O ATOM 68 NE2 GLN A 5 -3.441 4.988 -4.586 1.00 25.00 N ATOM 0 H GLN A 5 -2.811 -0.426 -4.649 1.00 25.00 H new ATOM 0 HA GLN A 5 -5.022 1.301 -4.924 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.506 1.890 -4.932 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.503 1.422 -6.621 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.819 3.783 -6.667 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -4.417 3.130 -6.969 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -2.547 5.195 -5.032 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -3.760 5.550 -3.797 1.00 25.00 H new ATOM 77 N CYS A 6 -4.301 -0.580 -7.568 1.00 25.00 N ATOM 78 CA CYS A 6 -4.806 -1.116 -8.832 1.00 25.00 C ATOM 79 C CYS A 6 -5.898 -2.146 -8.571 1.00 25.00 C ATOM 80 O CYS A 6 -6.594 -2.567 -9.504 1.00 25.00 O ATOM 81 CB CYS A 6 -3.672 -1.737 -9.645 1.00 25.00 C ATOM 82 SG CYS A 6 -2.316 -0.598 -10.065 1.00 25.00 S ATOM 0 H CYS A 6 -3.413 -0.992 -7.282 1.00 25.00 H new ATOM 0 HA CYS A 6 -5.231 -0.295 -9.409 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -3.261 -2.577 -9.085 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -4.086 -2.142 -10.568 1.00 25.00 H new ATOM 87 N CYS A 7 -6.068 -2.555 -7.315 1.00 25.00 N ATOM 88 CA CYS A 7 -7.164 -3.474 -6.987 1.00 25.00 C ATOM 89 C CYS A 7 -8.446 -2.634 -6.902 1.00 25.00 C ATOM 90 O CYS A 7 -9.465 -2.977 -7.534 1.00 25.00 O ATOM 91 CB CYS A 7 -6.866 -4.165 -5.696 1.00 25.00 C ATOM 92 SG CYS A 7 -7.839 -5.655 -5.404 1.00 25.00 S ATOM 0 H CYS A 7 -5.483 -2.277 -6.527 1.00 25.00 H new ATOM 0 HA CYS A 7 -7.285 -4.248 -7.745 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.808 -4.427 -5.674 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -7.038 -3.467 -4.877 1.00 25.00 H new ATOM 97 N THR A 8 -8.425 -1.547 -6.118 1.00 25.00 N ATOM 98 CA THR A 8 -9.630 -0.728 -5.845 1.00 25.00 C ATOM 99 C THR A 8 -9.888 0.398 -6.898 1.00 25.00 C ATOM 100 O THR A 8 -11.013 0.787 -7.113 1.00 25.00 O ATOM 101 CB THR A 8 -9.526 -0.090 -4.441 1.00 25.00 C ATOM 102 OG1 THR A 8 -10.792 0.419 -4.049 1.00 25.00 O ATOM 103 CG2 THR A 8 -8.484 1.037 -4.356 1.00 25.00 C ATOM 0 H THR A 8 -7.582 -1.207 -5.655 1.00 25.00 H new ATOM 0 HA THR A 8 -10.475 -1.414 -5.905 1.00 25.00 H new ATOM 0 HB THR A 8 -9.198 -0.882 -3.768 1.00 25.00 H new ATOM 0 HG1 THR A 8 -10.721 0.821 -3.158 1.00 25.00 H new ATOM 0 HG21 THR A 8 -8.465 1.439 -3.343 1.00 25.00 H new ATOM 0 HG22 THR A 8 -7.500 0.642 -4.609 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.748 1.830 -5.056 1.00 25.00 H new ATOM 111 N SER A 9 -8.871 0.817 -7.623 1.00 25.00 N ATOM 112 CA SER A 9 -9.026 1.765 -8.680 1.00 25.00 C ATOM 113 C SER A 9 -8.387 1.114 -9.907 1.00 25.00 C ATOM 114 O SER A 9 -7.973 -0.020 -9.836 1.00 25.00 O ATOM 115 CB SER A 9 -8.267 3.091 -8.396 1.00 25.00 C ATOM 116 OG SER A 9 -7.744 3.083 -7.070 1.00 25.00 O ATOM 0 H SER A 9 -7.911 0.500 -7.485 1.00 25.00 H new ATOM 0 HA SER A 9 -10.081 2.011 -8.805 1.00 25.00 H new ATOM 0 HB2 SER A 9 -7.456 3.216 -9.114 1.00 25.00 H new ATOM 0 HB3 SER A 9 -8.940 3.939 -8.524 1.00 25.00 H new ATOM 0 HG SER A 9 -7.066 2.380 -6.990 1.00 25.00 H new ATOM 122 N ILE A 10 -8.432 1.798 -11.055 1.00 25.00 N ATOM 123 CA ILE A 10 -7.923 1.229 -12.294 1.00 25.00 C ATOM 124 C ILE A 10 -6.695 1.994 -12.745 1.00 25.00 C ATOM 125 O ILE A 10 -6.773 3.209 -12.881 1.00 25.00 O ATOM 126 CB ILE A 10 -8.999 1.278 -13.418 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.246 0.454 -12.996 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.386 0.754 -14.762 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.385 0.429 -14.023 1.00 25.00 C ATOM 0 H ILE A 10 -8.814 2.739 -11.146 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.664 0.187 -12.105 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.320 2.308 -13.575 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -9.935 -0.571 -12.796 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.630 0.859 -12.060 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.143 0.790 -15.546 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.540 1.381 -15.045 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.048 -0.274 -14.631 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.209 -0.171 -13.637 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.731 1.446 -14.207 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -11.025 -0.006 -14.955 1.00 25.00 H new ATOM 141 N CYS A 11 -5.586 1.295 -12.899 1.00 25.00 N ATOM 142 CA CYS A 11 -4.300 1.898 -13.225 1.00 25.00 C ATOM 143 C CYS A 11 -4.148 1.939 -14.762 1.00 25.00 C ATOM 144 O CYS A 11 -4.513 0.991 -15.478 1.00 25.00 O ATOM 145 CB CYS A 11 -3.186 1.056 -12.559 1.00 25.00 C ATOM 146 SG CYS A 11 -3.268 1.126 -10.709 1.00 25.00 S ATOM 0 H CYS A 11 -5.549 0.280 -12.801 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.230 2.920 -12.851 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.271 0.020 -12.886 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.212 1.416 -12.892 1.00 25.00 H new ATOM 151 N SER A 12 -3.640 3.060 -15.298 1.00 25.00 N ATOM 152 CA SER A 12 -3.560 3.300 -16.766 1.00 25.00 C ATOM 153 C SER A 12 -2.274 2.806 -17.415 1.00 25.00 C ATOM 154 O SER A 12 -1.310 2.482 -16.709 1.00 25.00 O ATOM 155 CB SER A 12 -3.640 4.771 -17.031 1.00 25.00 C ATOM 156 OG SER A 12 -4.050 5.442 -15.860 1.00 25.00 O ATOM 0 H SER A 12 -3.272 3.829 -14.737 1.00 25.00 H new ATOM 0 HA SER A 12 -4.390 2.740 -17.196 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.669 5.145 -17.356 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.344 4.967 -17.840 1.00 25.00 H new ATOM 0 HG SER A 12 -4.100 6.405 -16.035 1.00 25.00 H new ATOM 162 N LEU A 13 -2.258 2.765 -18.738 1.00 25.00 N ATOM 163 CA LEU A 13 -1.130 2.273 -19.517 1.00 25.00 C ATOM 164 C LEU A 13 0.155 2.978 -19.199 1.00 25.00 C ATOM 165 O LEU A 13 1.174 2.366 -18.989 1.00 25.00 O ATOM 166 CB LEU A 13 -1.414 2.442 -21.007 1.00 25.00 C ATOM 167 CG LEU A 13 -2.097 1.278 -21.744 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.414 1.658 -23.183 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.213 0.034 -21.733 1.00 25.00 C ATOM 0 H LEU A 13 -3.041 3.078 -19.311 1.00 25.00 H new ATOM 0 HA LEU A 13 -1.011 1.222 -19.254 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -2.037 3.328 -21.131 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -0.467 2.645 -21.507 1.00 25.00 H new ATOM 0 HG LEU A 13 -3.027 1.059 -21.220 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.897 0.818 -23.683 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -3.082 2.519 -23.193 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.491 1.909 -23.705 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.718 -0.776 -22.260 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.267 0.255 -22.228 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -1.022 -0.267 -20.703 1.00 25.00 H new ATOM 181 N TYR A 14 0.053 4.319 -19.164 1.00 25.00 N ATOM 182 CA TYR A 14 1.180 5.210 -18.892 1.00 25.00 C ATOM 183 C TYR A 14 1.752 4.959 -17.490 1.00 25.00 C ATOM 184 O TYR A 14 2.961 4.924 -17.314 1.00 25.00 O ATOM 185 CB TYR A 14 0.704 6.675 -19.036 1.00 25.00 C ATOM 186 CG TYR A 14 -0.588 6.771 -19.853 1.00 25.00 C ATOM 187 CD1 TYR A 14 -0.585 6.580 -21.243 1.00 25.00 C ATOM 188 CD2 TYR A 14 -1.813 7.003 -19.212 1.00 25.00 C ATOM 189 CE1 TYR A 14 -1.817 6.609 -21.969 1.00 25.00 C ATOM 190 CE2 TYR A 14 -3.018 7.022 -19.927 1.00 25.00 C ATOM 191 CZ TYR A 14 -3.012 6.833 -21.271 1.00 25.00 C ATOM 192 OH TYR A 14 -4.233 6.805 -21.905 1.00 25.00 O ATOM 0 H TYR A 14 -0.825 4.813 -19.326 1.00 25.00 H new ATOM 0 HA TYR A 14 1.977 5.013 -19.609 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.543 7.104 -18.047 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.484 7.266 -19.517 1.00 25.00 H new ATOM 0 HD1 TYR A 14 0.346 6.411 -21.764 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.828 7.171 -18.145 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -1.827 6.461 -23.039 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -3.951 7.187 -19.409 1.00 25.00 H new ATOM 0 HH TYR A 14 -4.944 6.982 -21.254 1.00 25.00 H new ATOM 202 N GLN A 15 0.857 4.715 -16.537 1.00 25.00 N ATOM 203 CA GLN A 15 1.280 4.449 -15.175 1.00 25.00 C ATOM 204 C GLN A 15 2.038 3.117 -15.126 1.00 25.00 C ATOM 205 O GLN A 15 3.034 3.018 -14.458 1.00 25.00 O ATOM 206 CB GLN A 15 0.070 4.383 -14.207 1.00 25.00 C ATOM 207 CG GLN A 15 -0.746 5.698 -14.142 1.00 25.00 C ATOM 208 CD GLN A 15 -1.898 5.573 -13.153 1.00 25.00 C ATOM 209 OE1 GLN A 15 -2.163 4.503 -12.635 1.00 25.00 O ATOM 210 NE2 GLN A 15 -2.576 6.676 -12.868 1.00 25.00 N ATOM 0 H GLN A 15 -0.152 4.697 -16.684 1.00 25.00 H new ATOM 0 HA GLN A 15 1.928 5.266 -14.858 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.589 3.572 -14.517 1.00 25.00 H new ATOM 0 HB3 GLN A 15 0.428 4.138 -13.207 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -0.095 6.521 -13.846 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -1.135 5.939 -15.131 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -2.329 7.557 -13.319 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -3.344 6.644 -12.198 1.00 25.00 H new ATOM 219 N LEU A 16 1.571 2.089 -15.821 1.00 25.00 N ATOM 220 CA LEU A 16 2.273 0.802 -15.867 1.00 25.00 C ATOM 221 C LEU A 16 3.617 0.942 -16.605 1.00 25.00 C ATOM 222 O LEU A 16 4.614 0.401 -16.180 1.00 25.00 O ATOM 223 CB LEU A 16 1.371 -0.235 -16.568 1.00 25.00 C ATOM 224 CG LEU A 16 0.057 -0.639 -15.904 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.697 -1.434 -16.956 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.286 -1.474 -14.668 1.00 25.00 C ATOM 0 H LEU A 16 0.708 2.116 -16.364 1.00 25.00 H new ATOM 0 HA LEU A 16 2.487 0.469 -14.852 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.134 0.151 -17.559 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.960 -1.141 -16.711 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.500 0.237 -15.571 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.655 -1.759 -16.549 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.868 -0.808 -17.832 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.110 -2.306 -17.243 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.674 -1.740 -14.226 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.826 -2.382 -14.937 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.872 -0.904 -13.947 1.00 25.00 H new ATOM 238 N GLU A 17 3.660 1.752 -17.659 1.00 25.00 N ATOM 239 CA GLU A 17 4.884 2.026 -18.395 1.00 25.00 C ATOM 240 C GLU A 17 5.912 2.830 -17.613 1.00 25.00 C ATOM 241 O GLU A 17 7.074 2.625 -17.852 1.00 25.00 O ATOM 242 CB GLU A 17 4.514 2.735 -19.692 1.00 25.00 C ATOM 243 CG GLU A 17 3.849 1.845 -20.693 1.00 25.00 C ATOM 244 CD GLU A 17 3.458 2.596 -21.926 1.00 25.00 C ATOM 245 OE1 GLU A 17 2.677 3.514 -21.906 1.00 25.00 O ATOM 246 OE2 GLU A 17 4.063 2.217 -22.981 1.00 25.00 O ATOM 0 H GLU A 17 2.841 2.238 -18.026 1.00 25.00 H new ATOM 0 HA GLU A 17 5.369 1.071 -18.595 1.00 25.00 H new ATOM 0 HB2 GLU A 17 3.851 3.570 -19.464 1.00 25.00 H new ATOM 0 HB3 GLU A 17 5.416 3.157 -20.136 1.00 25.00 H new ATOM 0 HG2 GLU A 17 4.523 1.031 -20.961 1.00 25.00 H new ATOM 0 HG3 GLU A 17 2.964 1.392 -20.246 1.00 25.00 H new ATOM 254 N ASN A 18 5.473 3.650 -16.660 1.00 25.00 N ATOM 255 CA ASN A 18 6.410 4.354 -15.767 1.00 25.00 C ATOM 256 C ASN A 18 7.188 3.369 -14.846 1.00 25.00 C ATOM 257 O ASN A 18 8.241 3.732 -14.255 1.00 25.00 O ATOM 258 CB ASN A 18 5.645 5.302 -14.857 1.00 25.00 C ATOM 259 CG ASN A 18 5.447 6.645 -15.474 1.00 25.00 C ATOM 260 OD1 ASN A 18 6.276 7.146 -16.197 1.00 25.00 O ATOM 261 ND2 ASN A 18 4.362 7.255 -15.161 1.00 25.00 N ATOM 0 H ASN A 18 4.488 3.846 -16.482 1.00 25.00 H new ATOM 0 HA ASN A 18 7.111 4.888 -16.408 1.00 25.00 H new ATOM 0 HB2 ASN A 18 4.674 4.868 -14.618 1.00 25.00 H new ATOM 0 HB3 ASN A 18 6.184 5.413 -13.916 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.180 8.190 -15.525 1.00 25.00 H new ATOM 0 HD22 ASN A 18 3.682 6.805 -14.548 1.00 25.00 H new ATOM 268 N TYR A 19 6.639 2.169 -14.701 1.00 25.00 N ATOM 269 CA TYR A 19 7.249 1.127 -13.890 1.00 25.00 C ATOM 270 C TYR A 19 8.238 0.298 -14.710 1.00 25.00 C ATOM 271 O TYR A 19 9.023 -0.443 -14.155 1.00 25.00 O ATOM 272 CB TYR A 19 6.174 0.197 -13.293 1.00 25.00 C ATOM 273 CG TYR A 19 5.065 0.908 -12.504 1.00 25.00 C ATOM 274 CD1 TYR A 19 5.275 2.206 -11.879 1.00 25.00 C ATOM 275 CD2 TYR A 19 3.775 0.296 -12.355 1.00 25.00 C ATOM 276 CE1 TYR A 19 4.205 2.858 -11.204 1.00 25.00 C ATOM 277 CE2 TYR A 19 2.718 0.956 -11.678 1.00 25.00 C ATOM 278 CZ TYR A 19 2.945 2.226 -11.145 1.00 25.00 C ATOM 279 OH TYR A 19 1.862 2.829 -10.566 1.00 25.00 O ATOM 0 H TYR A 19 5.761 1.893 -15.141 1.00 25.00 H new ATOM 0 HA TYR A 19 7.788 1.619 -13.080 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.716 -0.371 -14.103 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.662 -0.523 -12.636 1.00 25.00 H new ATOM 0 HD1 TYR A 19 6.246 2.676 -11.928 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.606 -0.688 -12.767 1.00 25.00 H new ATOM 0 HE1 TYR A 19 4.355 3.823 -10.743 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.752 0.483 -11.576 1.00 25.00 H new ATOM 0 HH TYR A 19 1.086 2.234 -10.626 1.00 25.00 H new ATOM 289 N CYS A 20 8.214 0.459 -16.043 1.00 25.00 N ATOM 290 CA CYS A 20 9.188 -0.190 -16.924 1.00 25.00 C ATOM 291 C CYS A 20 10.514 0.572 -16.970 1.00 25.00 C ATOM 292 O CYS A 20 10.576 1.787 -16.820 1.00 25.00 O ATOM 293 CB CYS A 20 8.710 -0.270 -18.374 1.00 25.00 C ATOM 294 SG CYS A 20 7.057 -0.953 -18.596 1.00 25.00 S ATOM 0 H CYS A 20 7.528 1.035 -16.531 1.00 25.00 H new ATOM 0 HA CYS A 20 9.312 -1.187 -16.501 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.734 0.731 -18.804 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.416 -0.877 -18.940 1.00 25.00 H new ATOM 299 N ASN A 21 11.620 -0.176 -17.209 1.00 25.00 N ATOM 300 CA ASN A 21 12.892 0.479 -17.348 1.00 25.00 C ATOM 301 C ASN A 21 12.856 1.460 -18.516 1.00 25.00 C ATOM 302 O ASN A 21 12.610 1.164 -19.658 1.00 25.00 O ATOM 303 CB ASN A 21 14.026 -0.521 -17.592 1.00 25.00 C ATOM 304 CG ASN A 21 15.385 0.155 -17.715 1.00 25.00 C ATOM 305 OD1 ASN A 21 15.732 0.765 -18.704 1.00 25.00 O ATOM 306 ND2 ASN A 21 16.229 -0.029 -16.717 1.00 25.00 N ATOM 307 OXT ASN A 21 13.304 2.642 -18.139 1.00 25.00 O ATOM 0 H ASN A 21 11.635 -1.192 -17.302 1.00 25.00 H new ATOM 0 HA ASN A 21 13.082 1.005 -16.412 1.00 25.00 H new ATOM 0 HB2 ASN A 21 14.054 -1.240 -16.773 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.820 -1.083 -18.503 1.00 25.00 H new ATOM 0 HD21 ASN A 21 17.177 0.342 -16.776 1.00 25.00 H new ATOM 0 HD22 ASN A 21 15.933 -0.543 -15.887 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -5.070 -3.444 -25.595 1.00 25.00 N ATOM 317 CA PHE B 1 -5.119 -3.377 -24.115 1.00 25.00 C ATOM 318 C PHE B 1 -6.469 -2.943 -23.582 1.00 25.00 C ATOM 319 O PHE B 1 -7.170 -2.118 -24.116 1.00 25.00 O ATOM 320 CB PHE B 1 -3.975 -2.460 -23.626 1.00 25.00 C ATOM 321 CG PHE B 1 -3.700 -2.568 -22.172 1.00 25.00 C ATOM 322 CD1 PHE B 1 -4.376 -1.767 -21.272 1.00 25.00 C ATOM 323 CD2 PHE B 1 -2.811 -3.531 -21.662 1.00 25.00 C ATOM 324 CE1 PHE B 1 -4.153 -1.873 -19.925 1.00 25.00 C ATOM 325 CE2 PHE B 1 -2.579 -3.644 -20.315 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.236 -2.799 -19.430 1.00 25.00 C ATOM 0 H1 PHE B 1 -4.122 -3.746 -25.898 1.00 25.00 H new ATOM 0 H2 PHE B 1 -5.776 -4.127 -25.935 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.277 -2.505 -25.992 1.00 25.00 H new ATOM 0 HA PHE B 1 -4.977 -4.382 -23.717 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -3.066 -2.703 -24.177 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.225 -1.426 -23.863 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -5.092 -1.045 -21.637 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -2.301 -4.195 -22.345 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.692 -1.234 -19.241 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -1.888 -4.387 -19.944 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.039 -2.859 -18.370 1.00 25.00 H new ATOM 337 N VAL B 2 -6.888 -3.538 -22.466 1.00 25.00 N ATOM 338 CA VAL B 2 -8.186 -3.207 -21.831 1.00 25.00 C ATOM 339 C VAL B 2 -7.878 -2.696 -20.447 1.00 25.00 C ATOM 340 O VAL B 2 -7.209 -3.357 -19.656 1.00 25.00 O ATOM 341 CB VAL B 2 -9.167 -4.447 -21.663 1.00 25.00 C ATOM 342 CG1 VAL B 2 -10.460 -4.043 -20.930 1.00 25.00 C ATOM 343 CG2 VAL B 2 -9.571 -5.047 -23.047 1.00 25.00 C ATOM 0 H VAL B 2 -6.354 -4.254 -21.974 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.688 -2.487 -22.477 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.623 -5.190 -21.080 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -11.109 -4.913 -20.831 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -10.213 -3.661 -19.940 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -10.975 -3.269 -21.500 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -10.242 -5.893 -22.895 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -10.076 -4.285 -23.640 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -8.677 -5.383 -23.573 1.00 25.00 H new ATOM 353 N ASN B 3 -8.345 -1.488 -20.152 1.00 25.00 N ATOM 354 CA ASN B 3 -8.170 -0.898 -18.813 1.00 25.00 C ATOM 355 C ASN B 3 -9.121 -1.595 -17.846 1.00 25.00 C ATOM 356 O ASN B 3 -10.304 -1.758 -18.120 1.00 25.00 O ATOM 357 CB ASN B 3 -8.446 0.620 -18.806 1.00 25.00 C ATOM 358 CG ASN B 3 -9.916 0.958 -19.053 1.00 25.00 C ATOM 359 OD1 ASN B 3 -10.413 0.857 -20.152 1.00 25.00 O ATOM 360 ND2 ASN B 3 -10.593 1.413 -18.051 1.00 25.00 N ATOM 0 H ASN B 3 -8.846 -0.894 -20.812 1.00 25.00 H new ATOM 0 HA ASN B 3 -7.133 -1.040 -18.509 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -8.139 1.036 -17.846 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -7.835 1.099 -19.571 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -11.565 1.695 -18.178 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -10.155 1.490 -17.133 1.00 25.00 H new ATOM 367 N GLN B 4 -8.579 -2.073 -16.734 1.00 25.00 N ATOM 368 CA GLN B 4 -9.374 -2.894 -15.776 1.00 25.00 C ATOM 369 C GLN B 4 -8.657 -2.961 -14.419 1.00 25.00 C ATOM 370 O GLN B 4 -7.524 -2.555 -14.299 1.00 25.00 O ATOM 371 CB GLN B 4 -9.506 -4.332 -16.323 1.00 25.00 C ATOM 372 CG GLN B 4 -8.153 -5.048 -16.514 1.00 25.00 C ATOM 373 CD GLN B 4 -8.294 -6.446 -17.007 1.00 25.00 C ATOM 374 OE1 GLN B 4 -8.132 -7.394 -16.233 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.478 -6.607 -18.297 1.00 25.00 N ATOM 0 H GLN B 4 -7.609 -1.920 -16.459 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.357 -2.438 -15.654 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -10.123 -4.916 -15.640 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.029 -4.301 -17.279 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -7.545 -4.481 -17.219 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.617 -5.056 -15.565 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -8.608 -5.794 -18.899 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -8.491 -7.545 -18.697 1.00 25.00 H new ATOM 384 N HIS B 5 -9.300 -3.543 -13.398 1.00 25.00 N ATOM 385 CA HIS B 5 -8.645 -3.679 -12.108 1.00 25.00 C ATOM 386 C HIS B 5 -7.596 -4.792 -12.168 1.00 25.00 C ATOM 387 O HIS B 5 -7.678 -5.774 -12.896 1.00 25.00 O ATOM 388 CB HIS B 5 -9.682 -3.982 -11.030 1.00 25.00 C ATOM 389 CG HIS B 5 -10.644 -2.848 -10.797 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.274 -1.656 -10.166 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.979 -2.727 -11.024 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.340 -0.896 -10.027 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.368 -1.490 -10.587 1.00 25.00 N ATOM 0 H HIS B 5 -10.248 -3.916 -13.444 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.145 -2.743 -11.860 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.242 -4.873 -11.314 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.169 -4.213 -10.096 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.331 -1.414 -9.863 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.619 -3.474 -11.470 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.365 0.063 -9.531 1.00 25.00 H new ATOM 402 N LEU B 6 -6.516 -4.579 -11.416 1.00 25.00 N ATOM 403 CA LEU B 6 -5.388 -5.501 -11.375 1.00 25.00 C ATOM 404 C LEU B 6 -5.079 -5.735 -9.872 1.00 25.00 C ATOM 405 O LEU B 6 -4.824 -4.794 -9.171 1.00 25.00 O ATOM 406 CB LEU B 6 -4.176 -4.910 -12.079 1.00 25.00 C ATOM 407 CG LEU B 6 -4.329 -4.375 -13.522 1.00 25.00 C ATOM 408 CD1 LEU B 6 -3.066 -3.579 -13.904 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.554 -5.491 -14.552 1.00 25.00 C ATOM 0 H LEU B 6 -6.401 -3.760 -10.818 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.626 -6.434 -11.887 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.806 -4.091 -11.463 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.399 -5.675 -12.093 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.213 -3.738 -13.538 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.169 -3.200 -14.921 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.941 -2.743 -13.216 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.194 -4.230 -13.846 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.654 -5.054 -15.546 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.705 -6.174 -14.540 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -5.463 -6.038 -14.303 1.00 25.00 H new ATOM 421 N CYS B 7 -5.227 -6.958 -9.403 1.00 25.00 N ATOM 422 CA CYS B 7 -5.081 -7.236 -7.965 1.00 25.00 C ATOM 423 C CYS B 7 -4.170 -8.401 -7.695 1.00 25.00 C ATOM 424 O CYS B 7 -3.321 -8.347 -6.807 1.00 25.00 O ATOM 425 CB CYS B 7 -6.419 -7.536 -7.323 1.00 25.00 C ATOM 426 SG CYS B 7 -6.416 -7.106 -5.542 1.00 25.00 S ATOM 0 H CYS B 7 -5.445 -7.773 -9.977 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.647 -6.333 -7.535 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -7.203 -6.976 -7.833 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.653 -8.594 -7.443 1.00 25.00 H new ATOM 431 N GLY B 8 -4.339 -9.473 -8.475 1.00 25.00 N ATOM 432 CA GLY B 8 -3.518 -10.687 -8.282 1.00 25.00 C ATOM 433 C GLY B 8 -2.337 -10.631 -9.236 1.00 25.00 C ATOM 434 O GLY B 8 -1.856 -9.529 -9.550 1.00 25.00 O ATOM 0 H GLY B 8 -5.020 -9.533 -9.232 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -3.169 -10.748 -7.251 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -4.114 -11.580 -8.470 1.00 25.00 H new ATOM 438 N SER B 9 -2.003 -11.785 -9.837 1.00 25.00 N ATOM 439 CA SER B 9 -0.937 -11.830 -10.838 1.00 25.00 C ATOM 440 C SER B 9 -1.271 -10.972 -12.066 1.00 25.00 C ATOM 441 O SER B 9 -0.405 -10.751 -12.921 1.00 25.00 O ATOM 442 CB SER B 9 -0.615 -13.262 -11.277 1.00 25.00 C ATOM 443 OG SER B 9 -0.323 -14.083 -10.152 1.00 25.00 O ATOM 0 H SER B 9 -2.450 -12.682 -9.648 1.00 25.00 H new ATOM 0 HA SER B 9 -0.052 -11.415 -10.354 1.00 25.00 H new ATOM 0 HB2 SER B 9 -1.460 -13.677 -11.826 1.00 25.00 H new ATOM 0 HB3 SER B 9 0.236 -13.255 -11.958 1.00 25.00 H new ATOM 0 HG SER B 9 -0.122 -14.993 -10.455 1.00 25.00 H new ATOM 449 N HIS B 10 -2.474 -10.457 -12.163 1.00 25.00 N ATOM 450 CA HIS B 10 -2.771 -9.524 -13.206 1.00 25.00 C ATOM 451 C HIS B 10 -1.824 -8.311 -13.239 1.00 25.00 C ATOM 452 O HIS B 10 -1.664 -7.724 -14.306 1.00 25.00 O ATOM 453 CB HIS B 10 -4.195 -9.013 -13.069 1.00 25.00 C ATOM 454 CG HIS B 10 -5.192 -9.812 -13.828 1.00 25.00 C ATOM 455 ND1 HIS B 10 -6.148 -9.239 -14.692 1.00 25.00 N ATOM 456 CD2 HIS B 10 -5.436 -11.150 -13.864 1.00 25.00 C ATOM 457 CE1 HIS B 10 -6.898 -10.187 -15.189 1.00 25.00 C ATOM 458 NE2 HIS B 10 -6.486 -11.354 -14.720 1.00 25.00 N ATOM 0 H HIS B 10 -3.250 -10.670 -11.537 1.00 25.00 H new ATOM 0 HA HIS B 10 -2.637 -10.075 -14.137 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.471 -9.011 -12.015 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -4.235 -7.979 -13.411 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -4.900 -11.912 -13.318 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.721 -10.041 -15.872 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -6.887 -12.261 -14.958 1.00 25.00 H new ATOM 467 N LEU B 11 -1.227 -7.906 -12.102 1.00 25.00 N ATOM 468 CA LEU B 11 -0.316 -6.772 -12.113 1.00 25.00 C ATOM 469 C LEU B 11 0.891 -7.087 -12.967 1.00 25.00 C ATOM 470 O LEU B 11 1.261 -6.332 -13.845 1.00 25.00 O ATOM 471 CB LEU B 11 0.172 -6.475 -10.690 1.00 25.00 C ATOM 472 CG LEU B 11 -0.202 -5.148 -10.072 1.00 25.00 C ATOM 473 CD1 LEU B 11 -0.169 -3.998 -11.063 1.00 25.00 C ATOM 474 CD2 LEU B 11 -1.592 -5.258 -9.393 1.00 25.00 C ATOM 0 H LEU B 11 -1.361 -8.342 -11.190 1.00 25.00 H new ATOM 0 HA LEU B 11 -0.848 -5.910 -12.515 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -0.202 -7.264 -10.038 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.259 -6.549 -10.688 1.00 25.00 H new ATOM 0 HG LEU B 11 0.553 -4.917 -9.321 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -0.447 -3.074 -10.557 1.00 25.00 H new ATOM 0 HD12 LEU B 11 0.836 -3.899 -11.472 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -0.872 -4.195 -11.872 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -1.857 -4.298 -8.949 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -2.340 -5.532 -10.137 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.558 -6.021 -8.615 1.00 25.00 H new ATOM 486 N VAL B 12 1.564 -8.189 -12.635 1.00 25.00 N ATOM 487 CA VAL B 12 2.854 -8.541 -13.251 1.00 25.00 C ATOM 488 C VAL B 12 2.681 -9.061 -14.630 1.00 25.00 C ATOM 489 O VAL B 12 3.518 -8.801 -15.487 1.00 25.00 O ATOM 490 CB VAL B 12 3.584 -9.564 -12.424 1.00 25.00 C ATOM 491 CG1 VAL B 12 4.132 -8.909 -11.091 1.00 25.00 C ATOM 492 CG2 VAL B 12 2.715 -10.776 -12.070 1.00 25.00 C ATOM 0 H VAL B 12 1.239 -8.860 -11.939 1.00 25.00 H new ATOM 0 HA VAL B 12 3.442 -7.624 -13.296 1.00 25.00 H new ATOM 0 HB VAL B 12 4.412 -9.919 -13.038 1.00 25.00 H new ATOM 0 HG11 VAL B 12 4.657 -9.663 -10.505 1.00 25.00 H new ATOM 0 HG12 VAL B 12 4.818 -8.099 -11.339 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.298 -8.514 -10.510 1.00 25.00 H new ATOM 0 HG21 VAL B 12 3.296 -11.479 -11.473 1.00 25.00 H new ATOM 0 HG22 VAL B 12 1.847 -10.447 -11.499 1.00 25.00 H new ATOM 0 HG23 VAL B 12 2.383 -11.266 -12.986 1.00 25.00 H new ATOM 502 N GLU B 13 1.559 -9.698 -14.884 1.00 25.00 N ATOM 503 CA GLU B 13 1.215 -10.089 -16.235 1.00 25.00 C ATOM 504 C GLU B 13 1.037 -8.868 -17.110 1.00 25.00 C ATOM 505 O GLU B 13 1.597 -8.818 -18.214 1.00 25.00 O ATOM 506 CB GLU B 13 -0.068 -10.910 -16.233 1.00 25.00 C ATOM 507 CG GLU B 13 0.121 -12.391 -15.761 1.00 25.00 C ATOM 508 CD GLU B 13 -1.168 -13.141 -15.692 1.00 25.00 C ATOM 509 OE1 GLU B 13 -1.256 -14.317 -15.454 1.00 25.00 O ATOM 510 OE2 GLU B 13 -2.221 -12.405 -15.864 1.00 25.00 O ATOM 0 H GLU B 13 0.871 -9.956 -14.176 1.00 25.00 H new ATOM 0 HA GLU B 13 2.028 -10.695 -16.636 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -0.797 -10.424 -15.585 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.487 -10.911 -17.239 1.00 25.00 H new ATOM 0 HG2 GLU B 13 0.798 -12.903 -16.445 1.00 25.00 H new ATOM 0 HG3 GLU B 13 0.594 -12.398 -14.779 1.00 25.00 H new ATOM 518 N ALA B 14 0.338 -7.852 -16.583 1.00 25.00 N ATOM 519 CA ALA B 14 0.137 -6.627 -17.357 1.00 25.00 C ATOM 520 C ALA B 14 1.494 -5.995 -17.700 1.00 25.00 C ATOM 521 O ALA B 14 1.768 -5.641 -18.826 1.00 25.00 O ATOM 522 CB ALA B 14 -0.801 -5.653 -16.653 1.00 25.00 C ATOM 0 H ALA B 14 -0.084 -7.854 -15.654 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.358 -6.887 -18.293 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.921 -4.758 -17.263 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.772 -6.125 -16.506 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.381 -5.378 -15.685 1.00 25.00 H new ATOM 528 N LEU B 15 2.331 -5.899 -16.678 1.00 25.00 N ATOM 529 CA LEU B 15 3.685 -5.342 -16.845 1.00 25.00 C ATOM 530 C LEU B 15 4.559 -6.108 -17.766 1.00 25.00 C ATOM 531 O LEU B 15 5.270 -5.546 -18.587 1.00 25.00 O ATOM 532 CB LEU B 15 4.372 -5.208 -15.494 1.00 25.00 C ATOM 533 CG LEU B 15 3.808 -4.217 -14.455 1.00 25.00 C ATOM 534 CD1 LEU B 15 4.592 -4.284 -13.170 1.00 25.00 C ATOM 535 CD2 LEU B 15 3.860 -2.804 -15.081 1.00 25.00 C ATOM 0 H LEU B 15 2.109 -6.194 -15.727 1.00 25.00 H new ATOM 0 HA LEU B 15 3.537 -4.365 -17.305 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.383 -6.195 -15.033 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.410 -4.932 -15.680 1.00 25.00 H new ATOM 0 HG LEU B 15 2.779 -4.471 -14.203 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.176 -3.577 -12.453 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.534 -5.292 -12.761 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.634 -4.031 -13.366 1.00 25.00 H new ATOM 0 HD21 LEU B 15 3.467 -2.077 -14.371 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.892 -2.552 -15.325 1.00 25.00 H new ATOM 0 HD23 LEU B 15 3.258 -2.786 -15.989 1.00 25.00 H new ATOM 547 N TYR B 16 4.518 -7.434 -17.686 1.00 25.00 N ATOM 548 CA TYR B 16 5.326 -8.267 -18.574 1.00 25.00 C ATOM 549 C TYR B 16 4.913 -7.937 -19.999 1.00 25.00 C ATOM 550 O TYR B 16 5.781 -7.787 -20.873 1.00 25.00 O ATOM 551 CB TYR B 16 5.082 -9.761 -18.327 1.00 25.00 C ATOM 552 CG TYR B 16 5.613 -10.622 -19.465 1.00 25.00 C ATOM 553 CD1 TYR B 16 6.992 -10.734 -19.734 1.00 25.00 C ATOM 554 CD2 TYR B 16 4.703 -11.342 -20.260 1.00 25.00 C ATOM 555 CE1 TYR B 16 7.456 -11.575 -20.793 1.00 25.00 C ATOM 556 CE2 TYR B 16 5.156 -12.134 -21.351 1.00 25.00 C ATOM 557 CZ TYR B 16 6.528 -12.264 -21.598 1.00 25.00 C ATOM 558 OH TYR B 16 6.862 -13.057 -22.657 1.00 25.00 O ATOM 0 H TYR B 16 3.941 -7.952 -17.023 1.00 25.00 H new ATOM 0 HA TYR B 16 6.382 -8.066 -18.393 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.562 -10.057 -17.394 1.00 25.00 H new ATOM 0 HB3 TYR B 16 4.013 -9.939 -18.206 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.702 -10.181 -19.137 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.647 -11.293 -20.039 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.515 -11.682 -20.975 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.442 -12.635 -21.988 1.00 25.00 H new ATOM 0 HH TYR B 16 6.048 -13.427 -23.058 1.00 25.00 H new ATOM 568 N LEU B 17 3.630 -7.812 -20.234 1.00 25.00 N ATOM 569 CA LEU B 17 3.168 -7.544 -21.590 1.00 25.00 C ATOM 570 C LEU B 17 3.421 -6.125 -22.066 1.00 25.00 C ATOM 571 O LEU B 17 3.613 -5.880 -23.218 1.00 25.00 O ATOM 572 CB LEU B 17 1.631 -7.789 -21.723 1.00 25.00 C ATOM 573 CG LEU B 17 1.069 -9.201 -21.585 1.00 25.00 C ATOM 574 CD1 LEU B 17 -0.524 -9.090 -21.425 1.00 25.00 C ATOM 575 CD2 LEU B 17 1.411 -10.043 -22.772 1.00 25.00 C ATOM 0 H LEU B 17 2.896 -7.888 -19.529 1.00 25.00 H new ATOM 0 HA LEU B 17 3.747 -8.232 -22.206 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.138 -7.169 -20.974 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.326 -7.413 -22.699 1.00 25.00 H new ATOM 0 HG LEU B 17 1.509 -9.681 -20.711 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.950 -10.088 -21.324 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.761 -8.503 -20.537 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.945 -8.603 -22.305 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.996 -11.042 -22.641 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.993 -9.591 -23.671 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.494 -10.111 -22.870 1.00 25.00 H new ATOM 587 N VAL B 18 3.347 -5.164 -21.175 1.00 25.00 N ATOM 588 CA VAL B 18 3.466 -3.776 -21.620 1.00 25.00 C ATOM 589 C VAL B 18 4.939 -3.375 -21.774 1.00 25.00 C ATOM 590 O VAL B 18 5.237 -2.622 -22.692 1.00 25.00 O ATOM 591 CB VAL B 18 2.689 -2.763 -20.675 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.493 -2.341 -19.479 1.00 25.00 C ATOM 593 CG2 VAL B 18 2.216 -1.555 -21.467 1.00 25.00 C ATOM 0 H VAL B 18 3.210 -5.297 -20.173 1.00 25.00 H new ATOM 0 HA VAL B 18 2.989 -3.715 -22.598 1.00 25.00 H new ATOM 0 HB VAL B 18 1.821 -3.296 -20.286 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.908 -1.649 -18.873 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.748 -3.218 -18.884 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.407 -1.849 -19.810 1.00 25.00 H new ATOM 0 HG21 VAL B 18 1.685 -0.871 -20.805 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.076 -1.046 -21.902 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.547 -1.881 -22.263 1.00 25.00 H new ATOM 603 N CYS B 19 5.816 -3.877 -20.906 1.00 25.00 N ATOM 604 CA CYS B 19 7.236 -3.516 -20.914 1.00 25.00 C ATOM 605 C CYS B 19 8.016 -4.250 -22.020 1.00 25.00 C ATOM 606 O CYS B 19 8.883 -3.656 -22.639 1.00 25.00 O ATOM 607 CB CYS B 19 7.865 -3.726 -19.549 1.00 25.00 C ATOM 608 SG CYS B 19 7.116 -2.910 -18.068 1.00 25.00 S ATOM 0 H CYS B 19 5.564 -4.545 -20.177 1.00 25.00 H new ATOM 0 HA CYS B 19 7.295 -2.452 -21.144 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.881 -4.799 -19.358 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.903 -3.398 -19.613 1.00 25.00 H new ATOM 613 N GLY B 20 7.761 -5.553 -22.212 1.00 25.00 N ATOM 614 CA GLY B 20 8.597 -6.335 -23.160 1.00 25.00 C ATOM 615 C GLY B 20 10.054 -6.450 -22.653 1.00 25.00 C ATOM 616 O GLY B 20 10.909 -5.683 -23.074 1.00 25.00 O ATOM 0 H GLY B 20 7.018 -6.077 -21.750 1.00 25.00 H new ATOM 0 HA2 GLY B 20 8.173 -7.331 -23.287 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.586 -5.857 -24.139 1.00 25.00 H new ATOM 620 N GLU B 21 10.314 -7.367 -21.741 1.00 25.00 N ATOM 621 CA GLU B 21 11.639 -7.634 -21.085 1.00 25.00 C ATOM 622 C GLU B 21 12.217 -6.480 -20.235 1.00 25.00 C ATOM 623 O GLU B 21 13.067 -6.667 -19.381 1.00 25.00 O ATOM 624 CB GLU B 21 12.733 -8.067 -22.078 1.00 25.00 C ATOM 625 CG GLU B 21 12.342 -9.310 -22.808 1.00 25.00 C ATOM 626 CD GLU B 21 13.441 -9.845 -23.666 1.00 25.00 C ATOM 627 OE1 GLU B 21 14.503 -9.321 -23.783 1.00 25.00 O ATOM 628 OE2 GLU B 21 13.186 -10.989 -24.187 1.00 25.00 O ATOM 0 H GLU B 21 9.586 -7.995 -21.399 1.00 25.00 H new ATOM 0 HA GLU B 21 11.382 -8.450 -20.410 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.916 -7.265 -22.793 1.00 25.00 H new ATOM 0 HB3 GLU B 21 13.667 -8.236 -21.542 1.00 25.00 H new ATOM 0 HG2 GLU B 21 12.046 -10.072 -22.087 1.00 25.00 H new ATOM 0 HG3 GLU B 21 11.470 -9.103 -23.429 1.00 25.00 H new ATOM 636 N ARG B 22 11.722 -5.283 -20.475 1.00 25.00 N ATOM 637 CA ARG B 22 12.142 -4.097 -19.752 1.00 25.00 C ATOM 638 C ARG B 22 11.381 -3.950 -18.455 1.00 25.00 C ATOM 639 O ARG B 22 11.326 -2.853 -17.875 1.00 25.00 O ATOM 640 CB ARG B 22 11.873 -2.874 -20.622 1.00 25.00 C ATOM 641 CG ARG B 22 12.523 -2.886 -22.008 1.00 25.00 C ATOM 642 CD ARG B 22 12.248 -1.576 -22.702 1.00 25.00 C ATOM 643 NE ARG B 22 12.964 -0.494 -22.034 1.00 25.00 N ATOM 644 CZ ARG B 22 14.156 -0.032 -22.397 1.00 25.00 C ATOM 645 NH1 ARG B 22 14.818 -0.502 -23.453 1.00 25.00 N ATOM 646 NH2 ARG B 22 14.706 0.913 -21.681 1.00 25.00 N ATOM 0 H ARG B 22 11.011 -5.103 -21.183 1.00 25.00 H new ATOM 0 HA ARG B 22 13.204 -4.187 -19.522 1.00 25.00 H new ATOM 0 HB2 ARG B 22 10.795 -2.771 -20.748 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.217 -1.989 -20.088 1.00 25.00 H new ATOM 0 HG2 ARG B 22 13.598 -3.043 -21.916 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.129 -3.713 -22.599 1.00 25.00 H new ATOM 0 HD2 ARG B 22 12.557 -1.637 -23.746 1.00 25.00 H new ATOM 0 HD3 ARG B 22 11.177 -1.371 -22.698 1.00 25.00 H new ATOM 0 HE ARG B 22 12.516 -0.059 -21.227 1.00 25.00 H new ATOM 0 HH11 ARG B 22 14.412 -1.246 -24.020 1.00 25.00 H new ATOM 0 HH12 ARG B 22 15.731 -0.117 -23.695 1.00 25.00 H new ATOM 0 HH21 ARG B 22 14.221 1.281 -20.862 1.00 25.00 H new ATOM 0 HH22 ARG B 22 15.620 1.283 -21.941 1.00 25.00 H new ATOM 660 N GLY B 23 10.691 -5.025 -18.040 1.00 25.00 N ATOM 661 CA GLY B 23 9.815 -5.016 -16.866 1.00 25.00 C ATOM 662 C GLY B 23 10.363 -5.031 -15.477 1.00 25.00 C ATOM 663 O GLY B 23 11.490 -4.688 -15.199 1.00 25.00 O ATOM 0 H GLY B 23 10.728 -5.927 -18.515 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.187 -4.129 -16.948 1.00 25.00 H new ATOM 0 HA3 GLY B 23 9.158 -5.881 -16.956 1.00 25.00 H new ATOM 667 N PHE B 24 9.454 -5.382 -14.574 1.00 25.00 N ATOM 668 CA PHE B 24 9.746 -5.549 -13.162 1.00 25.00 C ATOM 669 C PHE B 24 10.743 -6.661 -12.951 1.00 25.00 C ATOM 670 O PHE B 24 11.040 -7.420 -13.856 1.00 25.00 O ATOM 671 CB PHE B 24 8.425 -5.864 -12.391 1.00 25.00 C ATOM 672 CG PHE B 24 7.748 -7.156 -12.901 1.00 25.00 C ATOM 673 CD1 PHE B 24 6.989 -7.142 -14.095 1.00 25.00 C ATOM 674 CD2 PHE B 24 7.950 -8.393 -12.215 1.00 25.00 C ATOM 675 CE1 PHE B 24 6.447 -8.304 -14.592 1.00 25.00 C ATOM 676 CE2 PHE B 24 7.433 -9.556 -12.731 1.00 25.00 C ATOM 677 CZ PHE B 24 6.671 -9.545 -13.923 1.00 25.00 C ATOM 0 H PHE B 24 8.478 -5.561 -14.811 1.00 25.00 H new ATOM 0 HA PHE B 24 10.179 -4.624 -12.781 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.642 -5.964 -11.327 1.00 25.00 H new ATOM 0 HB3 PHE B 24 7.735 -5.027 -12.498 1.00 25.00 H new ATOM 0 HD1 PHE B 24 6.834 -6.211 -14.620 1.00 25.00 H new ATOM 0 HD2 PHE B 24 8.509 -8.413 -11.291 1.00 25.00 H new ATOM 0 HE1 PHE B 24 5.850 -8.278 -15.492 1.00 25.00 H new ATOM 0 HE2 PHE B 24 7.610 -10.491 -12.220 1.00 25.00 H new ATOM 0 HZ PHE B 24 6.264 -10.463 -14.321 1.00 25.00 H new ATOM 687 N PHE B 25 11.165 -6.836 -11.726 1.00 25.00 N ATOM 688 CA PHE B 25 12.013 -7.983 -11.327 1.00 25.00 C ATOM 689 C PHE B 25 11.242 -8.878 -10.365 1.00 25.00 C ATOM 690 O PHE B 25 10.720 -8.416 -9.347 1.00 25.00 O ATOM 691 CB PHE B 25 13.314 -7.494 -10.678 1.00 25.00 C ATOM 692 CG PHE B 25 14.440 -8.466 -10.802 1.00 25.00 C ATOM 693 CD1 PHE B 25 14.381 -9.724 -10.200 1.00 25.00 C ATOM 694 CD2 PHE B 25 15.606 -8.124 -11.526 1.00 25.00 C ATOM 695 CE1 PHE B 25 15.412 -10.658 -10.328 1.00 25.00 C ATOM 696 CE2 PHE B 25 16.624 -9.057 -11.703 1.00 25.00 C ATOM 697 CZ PHE B 25 16.555 -10.354 -11.095 1.00 25.00 C ATOM 0 H PHE B 25 10.943 -6.200 -10.960 1.00 25.00 H new ATOM 0 HA PHE B 25 12.274 -8.556 -12.217 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.607 -6.549 -11.136 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.132 -7.293 -9.622 1.00 25.00 H new ATOM 0 HD1 PHE B 25 13.510 -9.984 -9.616 1.00 25.00 H new ATOM 0 HD2 PHE B 25 15.707 -7.133 -11.944 1.00 25.00 H new ATOM 0 HE1 PHE B 25 15.333 -11.617 -9.837 1.00 25.00 H new ATOM 0 HE2 PHE B 25 17.480 -8.800 -12.309 1.00 25.00 H new ATOM 0 HZ PHE B 25 17.351 -11.073 -11.220 1.00 25.00 H new HETATM 707 N NVA B 26 11.199 -10.177 -10.737 1.00 25.00 N HETATM 708 CA NVA B 26 10.629 -11.309 -9.959 1.00 25.00 C HETATM 709 CB NVA B 26 9.159 -11.652 -10.367 1.00 25.00 C HETATM 710 CG NVA B 26 8.422 -12.408 -9.226 1.00 25.00 C HETATM 711 CD NVA B 26 7.009 -12.877 -9.660 1.00 25.00 C HETATM 712 C NVA B 26 11.471 -12.546 -10.165 1.00 25.00 C HETATM 713 O NVA B 26 11.801 -12.962 -11.260 1.00 25.00 O HETATM 0 HG3 NVA B 26 9.013 -13.272 -8.922 1.00 25.00 H new HETATM 0 HG2 NVA B 26 8.337 -11.757 -8.356 1.00 25.00 H new HETATM 0 HD3 NVA B 26 6.408 -12.011 -9.939 1.00 25.00 H new HETATM 0 HB3 NVA B 26 8.621 -10.734 -10.606 1.00 25.00 H new HETATM 0 HB2 NVA B 26 9.162 -12.263 -11.269 1.00 25.00 H new HETATM 0 HA NVA B 26 10.628 -10.995 -8.915 1.00 25.00 H new ATOM 722 N THR B 27 11.762 -13.183 -9.038 1.00 25.00 N ATOM 723 CA THR B 27 12.523 -14.452 -9.006 1.00 25.00 C ATOM 724 C THR B 27 11.646 -15.532 -9.557 1.00 25.00 C ATOM 725 O THR B 27 10.432 -15.340 -9.667 1.00 25.00 O ATOM 726 CB THR B 27 12.947 -14.780 -7.562 1.00 25.00 C ATOM 727 OG1 THR B 27 11.814 -14.629 -6.705 1.00 25.00 O ATOM 728 CG2 THR B 27 14.037 -13.788 -7.057 1.00 25.00 C ATOM 0 H THR B 27 11.484 -12.846 -8.116 1.00 25.00 H new ATOM 0 HA THR B 27 13.428 -14.367 -9.607 1.00 25.00 H new ATOM 0 HB THR B 27 13.339 -15.797 -7.548 1.00 25.00 H new ATOM 0 HG1 THR B 27 12.072 -14.837 -5.783 1.00 25.00 H new ATOM 0 HG21 THR B 27 14.317 -14.044 -6.035 1.00 25.00 H new ATOM 0 HG22 THR B 27 14.914 -13.853 -7.700 1.00 25.00 H new ATOM 0 HG23 THR B 27 13.644 -12.772 -7.082 1.00 25.00 H new ATOM 736 N PRO B 28 12.220 -16.686 -9.957 1.00 25.00 N ATOM 737 CA PRO B 28 11.308 -17.647 -10.614 1.00 25.00 C ATOM 738 C PRO B 28 10.249 -18.216 -9.656 1.00 25.00 C ATOM 739 O PRO B 28 10.579 -18.713 -8.597 1.00 25.00 O ATOM 740 CB PRO B 28 12.267 -18.734 -11.158 1.00 25.00 C ATOM 741 CG PRO B 28 13.437 -18.660 -10.267 1.00 25.00 C ATOM 742 CD PRO B 28 13.613 -17.180 -9.882 1.00 25.00 C ATOM 0 HA PRO B 28 10.709 -17.184 -11.398 1.00 25.00 H new ATOM 0 HB2 PRO B 28 11.807 -19.722 -11.130 1.00 25.00 H new ATOM 0 HB3 PRO B 28 12.543 -18.540 -12.195 1.00 25.00 H new ATOM 0 HG2 PRO B 28 13.286 -19.275 -9.380 1.00 25.00 H new ATOM 0 HG3 PRO B 28 14.328 -19.037 -10.768 1.00 25.00 H new ATOM 0 HD2 PRO B 28 14.036 -17.064 -8.884 1.00 25.00 H new ATOM 0 HD3 PRO B 28 14.273 -16.653 -10.571 1.00 25.00 H new HETATM 750 N HIX B 29 8.976 -18.068 -10.026 1.00 25.00 N HETATM 751 CA HIX B 29 7.779 -18.554 -9.266 1.00 25.00 C HETATM 752 C HIX B 29 7.763 -20.057 -9.087 1.00 25.00 C HETATM 753 O HIX B 29 7.288 -20.859 -9.871 1.00 25.00 O HETATM 754 CB HIX B 29 6.434 -17.965 -9.767 1.00 25.00 C HETATM 755 CG HIX B 29 6.533 -16.476 -10.138 1.00 25.00 C HETATM 756 CD2 HIX B 29 6.944 -15.469 -9.278 1.00 25.00 C HETATM 757 ND1 HIX B 29 6.254 -15.875 -11.365 1.00 25.00 N HETATM 758 NE1 HIX B 29 6.398 -14.506 -11.388 1.00 25.00 N HETATM 759 NE2 HIX B 29 6.860 -14.314 -10.036 1.00 25.00 N ATOM 766 N THR B 30 8.423 -20.483 -7.987 1.00 25.00 N ATOM 767 CA THR B 30 8.666 -21.907 -7.722 1.00 25.00 C ATOM 768 C THR B 30 7.488 -22.671 -7.166 1.00 25.00 C ATOM 769 O THR B 30 7.135 -23.715 -7.594 1.00 25.00 O ATOM 770 CB THR B 30 9.955 -22.157 -6.934 1.00 25.00 C ATOM 771 OG1 THR B 30 10.950 -21.330 -7.549 1.00 25.00 O ATOM 772 CG2 THR B 30 10.412 -23.591 -7.069 1.00 25.00 C ATOM 773 OXT THR B 30 6.897 -22.124 -6.108 1.00 25.00 O ATOM 0 H THR B 30 8.794 -19.857 -7.273 1.00 25.00 H new ATOM 0 HA THR B 30 8.813 -22.332 -8.715 1.00 25.00 H new ATOM 0 HB THR B 30 9.796 -21.944 -5.877 1.00 25.00 H new ATOM 0 HG1 THR B 30 11.805 -21.446 -7.084 1.00 25.00 H new ATOM 0 HG21 THR B 30 11.329 -23.736 -6.498 1.00 25.00 H new ATOM 0 HG22 THR B 30 9.638 -24.257 -6.687 1.00 25.00 H new ATOM 0 HG23 THR B 30 10.599 -23.816 -8.119 1.00 25.00 H new TER 782 THR B 30