USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 THR OG1 : rot -170:sc= -1.19! USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= -0.112 USER MOD Set 2.1: A 32 SER OG : rot 160:sc= 1.02 USER MOD Set 2.2: A 46 TYR OH : rot -174:sc= 1.2 USER MOD Set 3.1: A 31 HIS : no HE2:sc= 0.0948 K(o=0.76,f=-2.4) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -169:sc= 0.665 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0.667 (180deg=0.21) USER MOD Single : A 2 LYS NZ :NH3+ 141:sc= -0.354 (180deg=-2.17!) USER MOD Single : A 3 SER OG : rot 95:sc= 0.337 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.0577 USER MOD Single : A 6 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-1) USER MOD Single : A 7 TYR OH : rot 54:sc= 0.506 USER MOD Single : A 10 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0676) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-4.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= -0.007 (180deg=-0.259) USER MOD Single : A 19 SER OG : rot 180:sc= -0.156 USER MOD Single : A 21 SER OG : rot -63:sc= 0.408 USER MOD Single : A 25 ASN : amide:sc= -5.23! C(o=-5.2!,f=-10!) USER MOD Single : A 26 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.95) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -59:sc= 1.15 USER MOD Single : A 37 SER OG : rot -90:sc= 0.959 USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.761 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.0632 X(o=-0.063,f=-0.0036) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.3) USER MOD Single : A 53 TYR OH : rot -176:sc= 1.14 USER MOD Single : A 55 HIS : no HD1:sc= -0.773 X(o=-0.77,f=-0.76) USER MOD Single : A 57 MET CE :methyl -173:sc= -0.0175 (180deg=-0.128) USER MOD Single : A 66 GLN : amide:sc= -0.0379 X(o=-0.038,f=-0.089) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.212 K(o=-0.21,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.208 9.394 6.068 1.00 0.00 N ATOM 2 CA MET A 1 -6.726 8.869 4.756 1.00 0.00 C ATOM 3 C MET A 1 -7.853 8.095 4.081 1.00 0.00 C ATOM 4 O MET A 1 -8.894 7.840 4.690 1.00 0.00 O ATOM 5 CB MET A 1 -5.520 7.943 4.976 1.00 0.00 C ATOM 6 CG MET A 1 -4.709 8.409 6.191 1.00 0.00 C ATOM 7 SD MET A 1 -4.234 10.143 5.977 1.00 0.00 S ATOM 8 CE MET A 1 -3.449 10.365 7.593 1.00 0.00 C ATOM 0 H1 MET A 1 -6.486 10.020 6.478 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.089 9.928 5.926 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.385 8.600 6.716 1.00 0.00 H new ATOM 0 HA MET A 1 -6.422 9.701 4.121 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.861 6.919 5.129 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.888 7.939 4.088 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.298 8.293 7.100 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.820 7.790 6.306 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.076 11.386 7.679 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.179 10.178 8.381 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.619 9.666 7.693 1.00 0.00 H new ATOM 20 N LYS A 2 -7.636 7.714 2.824 1.00 0.00 N ATOM 21 CA LYS A 2 -8.639 6.957 2.079 1.00 0.00 C ATOM 22 C LYS A 2 -8.362 5.460 2.184 1.00 0.00 C ATOM 23 O LYS A 2 -9.201 4.646 1.803 1.00 0.00 O ATOM 24 CB LYS A 2 -8.640 7.387 0.606 1.00 0.00 C ATOM 25 CG LYS A 2 -7.315 6.993 -0.060 1.00 0.00 C ATOM 26 CD LYS A 2 -6.565 8.254 -0.503 1.00 0.00 C ATOM 27 CE LYS A 2 -5.363 7.861 -1.364 1.00 0.00 C ATOM 28 NZ LYS A 2 -4.651 9.092 -1.810 1.00 0.00 N ATOM 0 H LYS A 2 -6.782 7.915 2.304 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.619 7.163 2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.473 6.917 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.786 8.465 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.703 6.420 0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.506 6.351 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.232 8.906 -1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.232 8.816 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.687 7.222 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.693 7.285 -2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.624 8.928 -1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.939 9.327 -2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.892 9.881 -1.177 1.00 0.00 H new ATOM 42 N SER A 3 -7.174 5.125 2.706 1.00 0.00 N ATOM 43 CA SER A 3 -6.735 3.734 2.888 1.00 0.00 C ATOM 44 C SER A 3 -5.779 3.320 1.773 1.00 0.00 C ATOM 45 O SER A 3 -6.056 3.531 0.590 1.00 0.00 O ATOM 46 CB SER A 3 -7.916 2.758 2.938 1.00 0.00 C ATOM 47 OG SER A 3 -8.865 3.210 3.898 1.00 0.00 O ATOM 0 H SER A 3 -6.488 5.813 3.015 1.00 0.00 H new ATOM 0 HA SER A 3 -6.219 3.689 3.847 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.383 2.685 1.956 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.566 1.760 3.199 1.00 0.00 H new ATOM 0 HG SER A 3 -9.559 3.737 3.449 1.00 0.00 H new ATOM 53 N PHE A 4 -4.656 2.724 2.166 1.00 0.00 N ATOM 54 CA PHE A 4 -3.650 2.266 1.211 1.00 0.00 C ATOM 55 C PHE A 4 -4.275 1.321 0.186 1.00 0.00 C ATOM 56 O PHE A 4 -3.927 1.352 -0.995 1.00 0.00 O ATOM 57 CB PHE A 4 -2.525 1.546 1.965 1.00 0.00 C ATOM 58 CG PHE A 4 -1.488 1.026 0.994 1.00 0.00 C ATOM 59 CD1 PHE A 4 -1.625 -0.252 0.435 1.00 0.00 C ATOM 60 CD2 PHE A 4 -0.382 1.819 0.660 1.00 0.00 C ATOM 61 CE1 PHE A 4 -0.659 -0.734 -0.457 1.00 0.00 C ATOM 62 CE2 PHE A 4 0.584 1.336 -0.230 1.00 0.00 C ATOM 63 CZ PHE A 4 0.446 0.060 -0.789 1.00 0.00 C ATOM 0 H PHE A 4 -4.419 2.546 3.142 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.244 3.129 0.682 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.058 2.230 2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.937 0.719 2.544 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.476 -0.865 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.275 2.804 1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.766 -1.718 -0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.436 1.948 -0.486 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.191 -0.312 -1.476 1.00 0.00 H new ATOM 73 N TYR A 5 -5.197 0.482 0.652 1.00 0.00 N ATOM 74 CA TYR A 5 -5.868 -0.475 -0.222 1.00 0.00 C ATOM 75 C TYR A 5 -6.773 0.241 -1.222 1.00 0.00 C ATOM 76 O TYR A 5 -6.922 -0.205 -2.360 1.00 0.00 O ATOM 77 CB TYR A 5 -6.698 -1.451 0.614 1.00 0.00 C ATOM 78 CG TYR A 5 -7.127 -2.619 -0.245 1.00 0.00 C ATOM 79 CD1 TYR A 5 -6.190 -3.583 -0.637 1.00 0.00 C ATOM 80 CD2 TYR A 5 -8.462 -2.737 -0.649 1.00 0.00 C ATOM 81 CE1 TYR A 5 -6.588 -4.663 -1.433 1.00 0.00 C ATOM 82 CE2 TYR A 5 -8.860 -3.816 -1.445 1.00 0.00 C ATOM 83 CZ TYR A 5 -7.923 -4.781 -1.837 1.00 0.00 C ATOM 84 OH TYR A 5 -8.316 -5.845 -2.623 1.00 0.00 O ATOM 0 H TYR A 5 -5.495 0.446 1.627 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.106 -1.024 -0.775 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.114 -1.806 1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.574 -0.944 1.020 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.160 -3.493 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -9.185 -1.994 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -5.865 -5.406 -1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -9.890 -3.905 -1.758 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.275 -5.775 -2.812 1.00 0.00 H new ATOM 94 N HIS A 6 -7.375 1.350 -0.794 1.00 0.00 N ATOM 95 CA HIS A 6 -8.261 2.112 -1.672 1.00 0.00 C ATOM 96 C HIS A 6 -7.471 2.741 -2.807 1.00 0.00 C ATOM 97 O HIS A 6 -7.880 2.682 -3.966 1.00 0.00 O ATOM 98 CB HIS A 6 -8.968 3.207 -0.896 1.00 0.00 C ATOM 99 CG HIS A 6 -10.095 2.617 -0.091 1.00 0.00 C ATOM 100 ND1 HIS A 6 -11.259 3.321 0.175 1.00 0.00 N ATOM 101 CD2 HIS A 6 -10.252 1.392 0.509 1.00 0.00 C ATOM 102 CE1 HIS A 6 -12.058 2.521 0.904 1.00 0.00 C ATOM 103 NE2 HIS A 6 -11.493 1.333 1.136 1.00 0.00 N ATOM 0 H HIS A 6 -7.267 1.737 0.144 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.000 1.424 -2.081 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.262 3.711 -0.235 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.355 3.960 -1.583 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.523 0.595 0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -13.038 2.805 1.259 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.886 0.551 1.660 1.00 0.00 H new ATOM 112 N TYR A 7 -6.324 3.329 -2.483 1.00 0.00 N ATOM 113 CA TYR A 7 -5.501 3.922 -3.524 1.00 0.00 C ATOM 114 C TYR A 7 -5.184 2.819 -4.517 1.00 0.00 C ATOM 115 O TYR A 7 -5.385 2.964 -5.722 1.00 0.00 O ATOM 116 CB TYR A 7 -4.207 4.494 -2.935 1.00 0.00 C ATOM 117 CG TYR A 7 -3.253 4.838 -4.058 1.00 0.00 C ATOM 118 CD1 TYR A 7 -3.614 5.796 -5.014 1.00 0.00 C ATOM 119 CD2 TYR A 7 -2.012 4.194 -4.147 1.00 0.00 C ATOM 120 CE1 TYR A 7 -2.736 6.109 -6.057 1.00 0.00 C ATOM 121 CE2 TYR A 7 -1.134 4.509 -5.190 1.00 0.00 C ATOM 122 CZ TYR A 7 -1.496 5.466 -6.146 1.00 0.00 C ATOM 123 OH TYR A 7 -0.630 5.776 -7.175 1.00 0.00 O ATOM 0 H TYR A 7 -5.953 3.406 -1.536 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.028 4.745 -4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.426 5.383 -2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.749 3.769 -2.263 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.570 6.293 -4.946 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.733 3.455 -3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.015 6.847 -6.794 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.177 4.014 -5.258 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.473 6.743 -7.190 1.00 0.00 H new ATOM 133 N LEU A 8 -4.724 1.698 -3.971 1.00 0.00 N ATOM 134 CA LEU A 8 -4.413 0.526 -4.770 1.00 0.00 C ATOM 135 C LEU A 8 -5.652 0.054 -5.532 1.00 0.00 C ATOM 136 O LEU A 8 -5.532 -0.567 -6.588 1.00 0.00 O ATOM 137 CB LEU A 8 -3.908 -0.600 -3.861 1.00 0.00 C ATOM 138 CG LEU A 8 -2.963 -1.516 -4.645 1.00 0.00 C ATOM 139 CD1 LEU A 8 -1.563 -0.897 -4.689 1.00 0.00 C ATOM 140 CD2 LEU A 8 -2.893 -2.884 -3.956 1.00 0.00 C ATOM 0 H LEU A 8 -4.559 1.580 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.638 0.790 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.390 -0.179 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.751 -1.175 -3.477 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.337 -1.636 -5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.893 -1.551 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.611 0.076 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.187 -0.775 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.221 -3.538 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.520 -2.761 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.888 -3.328 -3.926 1.00 0.00 H new ATOM 152 N LEU A 9 -6.847 0.338 -4.989 1.00 0.00 N ATOM 153 CA LEU A 9 -8.082 -0.089 -5.648 1.00 0.00 C ATOM 154 C LEU A 9 -8.179 0.487 -7.061 1.00 0.00 C ATOM 155 O LEU A 9 -8.882 -0.060 -7.909 1.00 0.00 O ATOM 156 CB LEU A 9 -9.316 0.310 -4.827 1.00 0.00 C ATOM 157 CG LEU A 9 -9.963 -0.944 -4.225 1.00 0.00 C ATOM 158 CD1 LEU A 9 -11.187 -0.542 -3.399 1.00 0.00 C ATOM 159 CD2 LEU A 9 -10.396 -1.895 -5.347 1.00 0.00 C ATOM 0 H LEU A 9 -6.979 0.849 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.054 -1.176 -5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.029 1.000 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.033 0.833 -5.460 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.239 -1.448 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.646 -1.433 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.880 0.128 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.908 -0.034 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.855 -2.784 -4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.117 -1.392 -5.992 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.525 -2.186 -5.934 1.00 0.00 H new ATOM 171 N LYS A 10 -7.467 1.587 -7.309 1.00 0.00 N ATOM 172 CA LYS A 10 -7.482 2.221 -8.629 1.00 0.00 C ATOM 173 C LYS A 10 -6.845 1.291 -9.662 1.00 0.00 C ATOM 174 O LYS A 10 -7.047 1.447 -10.867 1.00 0.00 O ATOM 175 CB LYS A 10 -6.710 3.546 -8.576 1.00 0.00 C ATOM 176 CG LYS A 10 -6.646 4.171 -9.973 1.00 0.00 C ATOM 177 CD LYS A 10 -6.409 5.680 -9.849 1.00 0.00 C ATOM 178 CE LYS A 10 -5.865 6.225 -11.170 1.00 0.00 C ATOM 179 NZ LYS A 10 -4.410 5.918 -11.275 1.00 0.00 N ATOM 0 H LYS A 10 -6.877 2.055 -6.620 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.514 2.418 -8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.197 4.233 -7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.702 3.374 -8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.844 3.713 -10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.575 3.981 -10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.340 6.185 -9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.704 5.882 -9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.402 5.780 -12.008 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.025 7.302 -11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.907 6.745 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.035 5.689 -10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.271 5.106 -11.910 1.00 0.00 H new ATOM 193 N TYR A 11 -6.105 0.304 -9.166 1.00 0.00 N ATOM 194 CA TYR A 11 -5.460 -0.686 -10.011 1.00 0.00 C ATOM 195 C TYR A 11 -6.324 -1.940 -10.020 1.00 0.00 C ATOM 196 O TYR A 11 -5.858 -3.034 -9.710 1.00 0.00 O ATOM 197 CB TYR A 11 -4.059 -1.008 -9.476 1.00 0.00 C ATOM 198 CG TYR A 11 -3.062 0.013 -9.979 1.00 0.00 C ATOM 199 CD1 TYR A 11 -2.706 0.040 -11.333 1.00 0.00 C ATOM 200 CD2 TYR A 11 -2.483 0.925 -9.085 1.00 0.00 C ATOM 201 CE1 TYR A 11 -1.775 0.978 -11.794 1.00 0.00 C ATOM 202 CE2 TYR A 11 -1.553 1.863 -9.548 1.00 0.00 C ATOM 203 CZ TYR A 11 -1.198 1.889 -10.902 1.00 0.00 C ATOM 204 OH TYR A 11 -0.278 2.810 -11.356 1.00 0.00 O ATOM 0 H TYR A 11 -5.938 0.171 -8.169 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.353 -0.300 -11.025 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.069 -1.011 -8.386 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.760 -2.007 -9.795 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.150 -0.663 -12.022 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.754 0.904 -8.040 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.502 0.999 -12.839 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.109 2.567 -8.860 1.00 0.00 H new ATOM 0 HH TYR A 11 0.023 3.367 -10.608 1.00 0.00 H new ATOM 214 N ARG A 12 -7.600 -1.732 -10.343 1.00 0.00 N ATOM 215 CA ARG A 12 -8.618 -2.798 -10.379 1.00 0.00 C ATOM 216 C ARG A 12 -8.195 -3.984 -11.243 1.00 0.00 C ATOM 217 O ARG A 12 -8.854 -4.310 -12.233 1.00 0.00 O ATOM 218 CB ARG A 12 -9.918 -2.237 -10.945 1.00 0.00 C ATOM 219 CG ARG A 12 -10.326 -0.985 -10.176 1.00 0.00 C ATOM 220 CD ARG A 12 -11.484 -0.311 -10.907 1.00 0.00 C ATOM 221 NE ARG A 12 -10.990 0.402 -12.084 1.00 0.00 N ATOM 222 CZ ARG A 12 -11.771 0.627 -13.140 1.00 0.00 C ATOM 223 NH1 ARG A 12 -13.014 0.227 -13.136 1.00 0.00 N ATOM 224 NH2 ARG A 12 -11.291 1.253 -14.182 1.00 0.00 N ATOM 0 H ARG A 12 -7.966 -0.813 -10.590 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.747 -3.150 -9.356 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.791 -2.000 -12.001 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.706 -2.987 -10.879 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.623 -1.246 -9.160 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.482 -0.300 -10.095 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.219 -1.058 -11.207 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.991 0.384 -10.238 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.026 0.735 -12.097 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.391 -0.260 -12.322 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.608 0.401 -13.946 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.321 1.568 -14.186 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.887 1.427 -14.992 1.00 0.00 H new ATOM 238 N HIS A 13 -7.104 -4.621 -10.851 1.00 0.00 N ATOM 239 CA HIS A 13 -6.567 -5.778 -11.564 1.00 0.00 C ATOM 240 C HIS A 13 -6.907 -5.751 -13.063 1.00 0.00 C ATOM 241 O HIS A 13 -7.397 -6.740 -13.608 1.00 0.00 O ATOM 242 CB HIS A 13 -7.096 -7.068 -10.922 1.00 0.00 C ATOM 243 CG HIS A 13 -8.589 -7.176 -11.095 1.00 0.00 C ATOM 244 ND1 HIS A 13 -9.477 -6.385 -10.380 1.00 0.00 N ATOM 245 CD2 HIS A 13 -9.365 -7.993 -11.879 1.00 0.00 C ATOM 246 CE1 HIS A 13 -10.722 -6.741 -10.746 1.00 0.00 C ATOM 247 NE2 HIS A 13 -10.711 -7.717 -11.657 1.00 0.00 N ATOM 0 H HIS A 13 -6.562 -4.354 -10.029 1.00 0.00 H new ATOM 0 HA HIS A 13 -5.481 -5.742 -11.484 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.609 -7.932 -11.375 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.846 -7.081 -9.861 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.988 -8.738 -12.565 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -11.621 -6.292 -10.351 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -11.516 -8.164 -12.096 1.00 0.00 H new ATOM 256 N PRO A 14 -6.656 -4.651 -13.742 1.00 0.00 N ATOM 257 CA PRO A 14 -6.949 -4.534 -15.198 1.00 0.00 C ATOM 258 C PRO A 14 -5.873 -5.200 -16.060 1.00 0.00 C ATOM 259 O PRO A 14 -5.944 -6.401 -16.328 1.00 0.00 O ATOM 260 CB PRO A 14 -6.994 -3.023 -15.423 1.00 0.00 C ATOM 261 CG PRO A 14 -6.057 -2.451 -14.410 1.00 0.00 C ATOM 262 CD PRO A 14 -6.073 -3.402 -13.208 1.00 0.00 C ATOM 0 HA PRO A 14 -7.873 -5.038 -15.482 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.684 -2.766 -16.436 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.004 -2.634 -15.290 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.051 -2.363 -14.820 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.370 -1.449 -14.115 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.069 -3.566 -12.817 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.672 -3.001 -12.390 1.00 0.00 H new ATOM 270 N LYS A 15 -4.881 -4.418 -16.485 1.00 0.00 N ATOM 271 CA LYS A 15 -3.795 -4.943 -17.310 1.00 0.00 C ATOM 272 C LYS A 15 -2.492 -4.966 -16.511 1.00 0.00 C ATOM 273 O LYS A 15 -1.772 -3.968 -16.449 1.00 0.00 O ATOM 274 CB LYS A 15 -3.615 -4.090 -18.575 1.00 0.00 C ATOM 275 CG LYS A 15 -3.899 -2.616 -18.268 1.00 0.00 C ATOM 276 CD LYS A 15 -3.822 -1.800 -19.564 1.00 0.00 C ATOM 277 CE LYS A 15 -5.211 -1.719 -20.206 1.00 0.00 C ATOM 278 NZ LYS A 15 -5.066 -1.565 -21.681 1.00 0.00 N ATOM 0 H LYS A 15 -4.807 -3.423 -16.272 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.051 -5.960 -17.608 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.599 -4.200 -18.954 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.287 -4.442 -19.358 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.886 -2.511 -17.818 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.177 -2.238 -17.544 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.449 -0.798 -19.353 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.118 -2.263 -20.255 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.782 -2.619 -19.978 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.766 -0.876 -19.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.008 -1.510 -22.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.536 -0.695 -21.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.553 -2.383 -22.067 1.00 0.00 H new ATOM 292 N PRO A 16 -2.184 -6.081 -15.894 1.00 0.00 N ATOM 293 CA PRO A 16 -0.946 -6.234 -15.075 1.00 0.00 C ATOM 294 C PRO A 16 0.324 -6.226 -15.923 1.00 0.00 C ATOM 295 O PRO A 16 0.463 -7.011 -16.863 1.00 0.00 O ATOM 296 CB PRO A 16 -1.130 -7.585 -14.379 1.00 0.00 C ATOM 297 CG PRO A 16 -2.086 -8.349 -15.233 1.00 0.00 C ATOM 298 CD PRO A 16 -2.985 -7.318 -15.911 1.00 0.00 C ATOM 0 HA PRO A 16 -0.819 -5.404 -14.379 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.180 -8.111 -14.287 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.522 -7.456 -13.370 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.553 -8.945 -15.974 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.675 -9.041 -14.631 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.237 -7.616 -16.929 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.925 -7.193 -15.373 1.00 0.00 H new ATOM 306 N LYS A 17 1.250 -5.341 -15.571 1.00 0.00 N ATOM 307 CA LYS A 17 2.517 -5.236 -16.287 1.00 0.00 C ATOM 308 C LYS A 17 3.601 -4.719 -15.347 1.00 0.00 C ATOM 309 O LYS A 17 4.681 -5.306 -15.249 1.00 0.00 O ATOM 310 CB LYS A 17 2.382 -4.306 -17.502 1.00 0.00 C ATOM 311 CG LYS A 17 1.590 -3.048 -17.125 1.00 0.00 C ATOM 312 CD LYS A 17 1.302 -2.226 -18.387 1.00 0.00 C ATOM 313 CE LYS A 17 0.228 -2.925 -19.228 1.00 0.00 C ATOM 314 NZ LYS A 17 -0.450 -1.925 -20.104 1.00 0.00 N ATOM 0 H LYS A 17 1.148 -4.687 -14.795 1.00 0.00 H new ATOM 0 HA LYS A 17 2.796 -6.227 -16.646 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.371 -4.026 -17.866 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.880 -4.830 -18.315 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.655 -3.326 -16.639 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.156 -2.450 -16.410 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.968 -1.226 -18.112 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.215 -2.108 -18.971 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.680 -3.709 -19.836 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.501 -3.407 -18.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.029 -2.420 -20.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.060 -1.313 -19.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.265 -1.344 -20.586 1.00 0.00 H new ATOM 328 N ASP A 18 3.298 -3.629 -14.645 1.00 0.00 N ATOM 329 CA ASP A 18 4.246 -3.052 -13.697 1.00 0.00 C ATOM 330 C ASP A 18 4.174 -3.802 -12.369 1.00 0.00 C ATOM 331 O ASP A 18 3.149 -4.402 -12.044 1.00 0.00 O ATOM 332 CB ASP A 18 3.932 -1.569 -13.473 1.00 0.00 C ATOM 333 CG ASP A 18 4.907 -0.976 -12.457 1.00 0.00 C ATOM 334 OD1 ASP A 18 6.041 -0.724 -12.830 1.00 0.00 O ATOM 335 OD2 ASP A 18 4.506 -0.786 -11.319 1.00 0.00 O ATOM 0 H ASP A 18 2.410 -3.131 -14.714 1.00 0.00 H new ATOM 0 HA ASP A 18 5.252 -3.143 -14.106 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.003 -1.027 -14.416 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.908 -1.455 -13.116 1.00 0.00 H new ATOM 340 N SER A 19 5.265 -3.769 -11.610 1.00 0.00 N ATOM 341 CA SER A 19 5.313 -4.455 -10.325 1.00 0.00 C ATOM 342 C SER A 19 4.145 -4.036 -9.432 1.00 0.00 C ATOM 343 O SER A 19 3.498 -4.879 -8.808 1.00 0.00 O ATOM 344 CB SER A 19 6.635 -4.139 -9.627 1.00 0.00 C ATOM 345 OG SER A 19 6.688 -2.752 -9.319 1.00 0.00 O ATOM 0 H SER A 19 6.123 -3.277 -11.861 1.00 0.00 H new ATOM 0 HA SER A 19 5.236 -5.527 -10.504 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.727 -4.729 -8.715 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.472 -4.412 -10.269 1.00 0.00 H new ATOM 0 HG SER A 19 7.535 -2.549 -8.870 1.00 0.00 H new ATOM 351 N ILE A 20 3.880 -2.731 -9.377 1.00 0.00 N ATOM 352 CA ILE A 20 2.787 -2.212 -8.557 1.00 0.00 C ATOM 353 C ILE A 20 1.437 -2.702 -9.080 1.00 0.00 C ATOM 354 O ILE A 20 0.557 -3.075 -8.303 1.00 0.00 O ATOM 355 CB ILE A 20 2.828 -0.673 -8.534 1.00 0.00 C ATOM 356 CG1 ILE A 20 2.374 -0.174 -7.156 1.00 0.00 C ATOM 357 CG2 ILE A 20 1.904 -0.090 -9.613 1.00 0.00 C ATOM 358 CD1 ILE A 20 2.623 1.333 -7.043 1.00 0.00 C ATOM 0 H ILE A 20 4.403 -2.019 -9.887 1.00 0.00 H new ATOM 0 HA ILE A 20 2.912 -2.583 -7.540 1.00 0.00 H new ATOM 0 HB ILE A 20 3.849 -0.348 -8.733 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.315 -0.389 -7.012 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.916 -0.701 -6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.948 0.999 -9.580 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.227 -0.436 -10.595 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.880 -0.418 -9.431 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.299 1.683 -6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.687 1.536 -7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.061 1.854 -7.818 1.00 0.00 H new ATOM 370 N SER A 21 1.282 -2.688 -10.401 1.00 0.00 N ATOM 371 CA SER A 21 0.036 -3.119 -11.024 1.00 0.00 C ATOM 372 C SER A 21 -0.215 -4.604 -10.779 1.00 0.00 C ATOM 373 O SER A 21 -1.307 -4.990 -10.365 1.00 0.00 O ATOM 374 CB SER A 21 0.085 -2.847 -12.527 1.00 0.00 C ATOM 375 OG SER A 21 0.321 -1.463 -12.748 1.00 0.00 O ATOM 0 H SER A 21 2.001 -2.384 -11.058 1.00 0.00 H new ATOM 0 HA SER A 21 -0.781 -2.554 -10.576 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.874 -3.440 -12.990 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.854 -3.146 -12.993 1.00 0.00 H new ATOM 0 HG SER A 21 -0.426 -0.942 -12.386 1.00 0.00 H new ATOM 381 N GLU A 22 0.802 -5.429 -11.031 1.00 0.00 N ATOM 382 CA GLU A 22 0.675 -6.872 -10.835 1.00 0.00 C ATOM 383 C GLU A 22 0.311 -7.172 -9.388 1.00 0.00 C ATOM 384 O GLU A 22 -0.482 -8.074 -9.108 1.00 0.00 O ATOM 385 CB GLU A 22 1.994 -7.567 -11.189 1.00 0.00 C ATOM 386 CG GLU A 22 2.326 -7.332 -12.669 1.00 0.00 C ATOM 387 CD GLU A 22 2.562 -8.666 -13.372 1.00 0.00 C ATOM 388 OE1 GLU A 22 1.609 -9.414 -13.520 1.00 0.00 O ATOM 389 OE2 GLU A 22 3.692 -8.922 -13.753 1.00 0.00 O ATOM 0 H GLU A 22 1.715 -5.125 -11.368 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.114 -7.247 -11.487 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.798 -7.183 -10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.917 -8.636 -10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.509 -6.797 -13.153 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.213 -6.705 -12.756 1.00 0.00 H new ATOM 396 N PHE A 23 0.884 -6.396 -8.475 1.00 0.00 N ATOM 397 CA PHE A 23 0.608 -6.564 -7.056 1.00 0.00 C ATOM 398 C PHE A 23 -0.877 -6.337 -6.792 1.00 0.00 C ATOM 399 O PHE A 23 -1.502 -7.067 -6.021 1.00 0.00 O ATOM 400 CB PHE A 23 1.443 -5.564 -6.252 1.00 0.00 C ATOM 401 CG PHE A 23 1.117 -5.687 -4.780 1.00 0.00 C ATOM 402 CD1 PHE A 23 1.388 -6.878 -4.095 1.00 0.00 C ATOM 403 CD2 PHE A 23 0.544 -4.605 -4.101 1.00 0.00 C ATOM 404 CE1 PHE A 23 1.085 -6.987 -2.733 1.00 0.00 C ATOM 405 CE2 PHE A 23 0.241 -4.713 -2.740 1.00 0.00 C ATOM 406 CZ PHE A 23 0.512 -5.904 -2.055 1.00 0.00 C ATOM 0 H PHE A 23 1.541 -5.647 -8.693 1.00 0.00 H new ATOM 0 HA PHE A 23 0.871 -7.577 -6.751 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.505 -5.749 -6.415 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.240 -4.549 -6.595 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.831 -7.713 -4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.336 -3.686 -4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.293 -7.906 -2.205 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.202 -3.878 -2.217 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.279 -5.987 -1.004 1.00 0.00 H new ATOM 416 N ALA A 24 -1.431 -5.320 -7.450 1.00 0.00 N ATOM 417 CA ALA A 24 -2.844 -4.993 -7.302 1.00 0.00 C ATOM 418 C ALA A 24 -3.715 -6.207 -7.615 1.00 0.00 C ATOM 419 O ALA A 24 -4.619 -6.544 -6.849 1.00 0.00 O ATOM 420 CB ALA A 24 -3.213 -3.841 -8.235 1.00 0.00 C ATOM 0 H ALA A 24 -0.922 -4.710 -8.090 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.021 -4.694 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.270 -3.603 -8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.614 -2.965 -7.986 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.018 -4.132 -9.267 1.00 0.00 H new ATOM 426 N ASN A 25 -3.436 -6.859 -8.746 1.00 0.00 N ATOM 427 CA ASN A 25 -4.206 -8.036 -9.149 1.00 0.00 C ATOM 428 C ASN A 25 -4.175 -9.095 -8.053 1.00 0.00 C ATOM 429 O ASN A 25 -5.212 -9.641 -7.677 1.00 0.00 O ATOM 430 CB ASN A 25 -3.647 -8.638 -10.446 1.00 0.00 C ATOM 431 CG ASN A 25 -3.386 -7.547 -11.479 1.00 0.00 C ATOM 432 OD1 ASN A 25 -2.396 -6.832 -11.382 1.00 0.00 O ATOM 433 ND2 ASN A 25 -4.212 -7.380 -12.475 1.00 0.00 N ATOM 0 H ASN A 25 -2.692 -6.595 -9.392 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.235 -7.717 -9.318 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.722 -9.174 -10.235 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.352 -9.365 -10.848 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.033 -6.656 -13.170 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.037 -7.974 -12.558 1.00 0.00 H new ATOM 440 N GLN A 26 -2.976 -9.382 -7.549 1.00 0.00 N ATOM 441 CA GLN A 26 -2.811 -10.383 -6.501 1.00 0.00 C ATOM 442 C GLN A 26 -3.561 -9.979 -5.235 1.00 0.00 C ATOM 443 O GLN A 26 -4.331 -10.766 -4.688 1.00 0.00 O ATOM 444 CB GLN A 26 -1.325 -10.562 -6.181 1.00 0.00 C ATOM 445 CG GLN A 26 -1.140 -11.779 -5.266 1.00 0.00 C ATOM 446 CD GLN A 26 0.334 -11.951 -4.908 1.00 0.00 C ATOM 447 OE1 GLN A 26 1.212 -11.591 -5.693 1.00 0.00 O ATOM 448 NE2 GLN A 26 0.660 -12.486 -3.763 1.00 0.00 N ATOM 0 H GLN A 26 -2.109 -8.937 -7.849 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.224 -11.325 -6.862 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.758 -10.697 -7.102 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.937 -9.667 -5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.730 -11.653 -4.358 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.508 -12.676 -5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.068 -12.784 -3.114 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.643 -12.606 -3.518 1.00 0.00 H new ATOM 457 N ALA A 27 -3.327 -8.751 -4.774 1.00 0.00 N ATOM 458 CA ALA A 27 -3.981 -8.253 -3.565 1.00 0.00 C ATOM 459 C ALA A 27 -5.500 -8.331 -3.696 1.00 0.00 C ATOM 460 O ALA A 27 -6.203 -8.599 -2.722 1.00 0.00 O ATOM 461 CB ALA A 27 -3.563 -6.805 -3.307 1.00 0.00 C ATOM 0 H ALA A 27 -2.693 -8.086 -5.217 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.672 -8.878 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.054 -6.440 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.482 -6.756 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.855 -6.185 -4.155 1.00 0.00 H new ATOM 467 N TYR A 28 -5.998 -8.098 -4.907 1.00 0.00 N ATOM 468 CA TYR A 28 -7.434 -8.152 -5.158 1.00 0.00 C ATOM 469 C TYR A 28 -7.979 -9.552 -4.866 1.00 0.00 C ATOM 470 O TYR A 28 -9.162 -9.714 -4.563 1.00 0.00 O ATOM 471 CB TYR A 28 -7.727 -7.777 -6.617 1.00 0.00 C ATOM 472 CG TYR A 28 -9.172 -7.355 -6.752 1.00 0.00 C ATOM 473 CD1 TYR A 28 -10.158 -8.313 -7.019 1.00 0.00 C ATOM 474 CD2 TYR A 28 -9.527 -6.007 -6.611 1.00 0.00 C ATOM 475 CE1 TYR A 28 -11.497 -7.925 -7.145 1.00 0.00 C ATOM 476 CE2 TYR A 28 -10.866 -5.619 -6.736 1.00 0.00 C ATOM 477 CZ TYR A 28 -11.851 -6.577 -7.003 1.00 0.00 C ATOM 478 OH TYR A 28 -13.170 -6.193 -7.126 1.00 0.00 O ATOM 0 H TYR A 28 -5.432 -7.871 -5.725 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.926 -7.439 -4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.070 -6.967 -6.934 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.523 -8.626 -7.269 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.885 -9.352 -7.128 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.767 -5.267 -6.406 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -12.257 -8.664 -7.352 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -11.139 -4.580 -6.626 1.00 0.00 H new ATOM 0 HH TYR A 28 -13.242 -5.224 -6.998 1.00 0.00 H new ATOM 488 N GLU A 29 -7.111 -10.559 -4.974 1.00 0.00 N ATOM 489 CA GLU A 29 -7.511 -11.941 -4.739 1.00 0.00 C ATOM 490 C GLU A 29 -7.477 -12.295 -3.250 1.00 0.00 C ATOM 491 O GLU A 29 -7.307 -13.461 -2.889 1.00 0.00 O ATOM 492 CB GLU A 29 -6.580 -12.884 -5.510 1.00 0.00 C ATOM 493 CG GLU A 29 -6.289 -12.310 -6.901 1.00 0.00 C ATOM 494 CD GLU A 29 -6.174 -13.438 -7.922 1.00 0.00 C ATOM 495 OE1 GLU A 29 -7.198 -13.848 -8.442 1.00 0.00 O ATOM 496 OE2 GLU A 29 -5.061 -13.876 -8.170 1.00 0.00 O ATOM 0 H GLU A 29 -6.129 -10.441 -5.222 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.537 -12.056 -5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.648 -13.018 -4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.040 -13.868 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.084 -11.624 -7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.364 -11.734 -6.879 1.00 0.00 H new ATOM 503 N ASP A 30 -7.653 -11.292 -2.390 1.00 0.00 N ATOM 504 CA ASP A 30 -7.654 -11.525 -0.946 1.00 0.00 C ATOM 505 C ASP A 30 -8.333 -10.371 -0.215 1.00 0.00 C ATOM 506 O ASP A 30 -7.679 -9.416 0.211 1.00 0.00 O ATOM 507 CB ASP A 30 -6.221 -11.706 -0.420 1.00 0.00 C ATOM 508 CG ASP A 30 -5.275 -10.703 -1.072 1.00 0.00 C ATOM 509 OD1 ASP A 30 -4.842 -10.967 -2.180 1.00 0.00 O ATOM 510 OD2 ASP A 30 -4.992 -9.691 -0.452 1.00 0.00 O ATOM 0 H ASP A 30 -7.795 -10.320 -2.664 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.214 -12.441 -0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.207 -11.576 0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.879 -12.721 -0.624 1.00 0.00 H new ATOM 515 N HIS A 31 -9.654 -10.469 -0.078 1.00 0.00 N ATOM 516 CA HIS A 31 -10.436 -9.437 0.603 1.00 0.00 C ATOM 517 C HIS A 31 -10.133 -9.404 2.106 1.00 0.00 C ATOM 518 O HIS A 31 -10.991 -9.040 2.911 1.00 0.00 O ATOM 519 CB HIS A 31 -11.931 -9.697 0.381 1.00 0.00 C ATOM 520 CG HIS A 31 -12.714 -8.450 0.695 1.00 0.00 C ATOM 521 ND1 HIS A 31 -13.459 -8.319 1.858 1.00 0.00 N ATOM 522 CD2 HIS A 31 -12.875 -7.268 0.014 1.00 0.00 C ATOM 523 CE1 HIS A 31 -14.026 -7.099 1.842 1.00 0.00 C ATOM 524 NE2 HIS A 31 -13.702 -6.417 0.741 1.00 0.00 N ATOM 0 H HIS A 31 -10.206 -11.252 -0.429 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.161 -8.469 0.184 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.108 -9.999 -0.651 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -12.266 -10.518 1.015 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -13.559 -9.020 2.592 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.428 -7.034 -0.941 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.665 -6.718 2.625 1.00 0.00 H new ATOM 533 N SER A 32 -8.910 -9.785 2.481 1.00 0.00 N ATOM 534 CA SER A 32 -8.513 -9.794 3.887 1.00 0.00 C ATOM 535 C SER A 32 -7.549 -8.647 4.186 1.00 0.00 C ATOM 536 O SER A 32 -7.284 -8.338 5.349 1.00 0.00 O ATOM 537 CB SER A 32 -7.847 -11.127 4.232 1.00 0.00 C ATOM 538 OG SER A 32 -6.696 -11.303 3.416 1.00 0.00 O ATOM 0 H SER A 32 -8.183 -10.089 1.834 1.00 0.00 H new ATOM 0 HA SER A 32 -9.408 -9.665 4.496 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.566 -11.144 5.285 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.547 -11.948 4.075 1.00 0.00 H new ATOM 0 HG SER A 32 -6.099 -11.961 3.829 1.00 0.00 H new ATOM 544 N PHE A 33 -7.031 -8.023 3.130 1.00 0.00 N ATOM 545 CA PHE A 33 -6.096 -6.906 3.280 1.00 0.00 C ATOM 546 C PHE A 33 -6.624 -5.893 4.301 1.00 0.00 C ATOM 547 O PHE A 33 -7.825 -5.625 4.349 1.00 0.00 O ATOM 548 CB PHE A 33 -5.900 -6.215 1.924 1.00 0.00 C ATOM 549 CG PHE A 33 -4.461 -5.774 1.776 1.00 0.00 C ATOM 550 CD1 PHE A 33 -3.475 -6.704 1.419 1.00 0.00 C ATOM 551 CD2 PHE A 33 -4.112 -4.435 1.994 1.00 0.00 C ATOM 552 CE1 PHE A 33 -2.142 -6.295 1.284 1.00 0.00 C ATOM 553 CE2 PHE A 33 -2.781 -4.027 1.859 1.00 0.00 C ATOM 554 CZ PHE A 33 -1.797 -4.956 1.504 1.00 0.00 C ATOM 0 H PHE A 33 -7.241 -8.270 2.163 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.142 -7.295 3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.166 -6.897 1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.564 -5.354 1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.743 -7.736 1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.871 -3.717 2.267 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.382 -7.011 1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.513 -2.995 2.029 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.770 -4.640 1.399 1.00 0.00 H new ATOM 564 N PRO A 34 -5.755 -5.335 5.115 1.00 0.00 N ATOM 565 CA PRO A 34 -6.148 -4.334 6.156 1.00 0.00 C ATOM 566 C PRO A 34 -6.587 -2.997 5.550 1.00 0.00 C ATOM 567 O PRO A 34 -6.071 -1.939 5.911 1.00 0.00 O ATOM 568 CB PRO A 34 -4.879 -4.172 7.000 1.00 0.00 C ATOM 569 CG PRO A 34 -3.754 -4.548 6.096 1.00 0.00 C ATOM 570 CD PRO A 34 -4.304 -5.600 5.136 1.00 0.00 C ATOM 0 HA PRO A 34 -7.010 -4.666 6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.772 -3.147 7.356 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.908 -4.814 7.880 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.387 -3.679 5.550 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.914 -4.944 6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.866 -5.503 4.143 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.087 -6.610 5.483 1.00 0.00 H new ATOM 578 N LYS A 35 -7.551 -3.058 4.633 1.00 0.00 N ATOM 579 CA LYS A 35 -8.067 -1.854 3.986 1.00 0.00 C ATOM 580 C LYS A 35 -8.609 -0.872 5.023 1.00 0.00 C ATOM 581 O LYS A 35 -8.682 0.331 4.773 1.00 0.00 O ATOM 582 CB LYS A 35 -9.176 -2.226 2.996 1.00 0.00 C ATOM 583 CG LYS A 35 -10.335 -2.900 3.740 1.00 0.00 C ATOM 584 CD LYS A 35 -11.274 -3.567 2.731 1.00 0.00 C ATOM 585 CE LYS A 35 -12.592 -3.937 3.419 1.00 0.00 C ATOM 586 NZ LYS A 35 -13.710 -3.827 2.440 1.00 0.00 N ATOM 0 H LYS A 35 -7.989 -3.925 4.322 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.248 -1.375 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.532 -1.333 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.783 -2.897 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.949 -3.642 4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.881 -2.162 4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.465 -2.892 1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.805 -4.460 2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.537 -4.952 3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.770 -3.276 4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.619 -3.894 2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.652 -2.912 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.640 -4.598 1.746 1.00 0.00 H new ATOM 600 N THR A 36 -8.996 -1.399 6.183 1.00 0.00 N ATOM 601 CA THR A 36 -9.543 -0.571 7.255 1.00 0.00 C ATOM 602 C THR A 36 -8.443 -0.157 8.239 1.00 0.00 C ATOM 603 O THR A 36 -8.711 0.094 9.415 1.00 0.00 O ATOM 604 CB THR A 36 -10.641 -1.351 7.991 1.00 0.00 C ATOM 605 OG1 THR A 36 -11.134 -0.577 9.077 1.00 0.00 O ATOM 606 CG2 THR A 36 -10.074 -2.674 8.517 1.00 0.00 C ATOM 0 H THR A 36 -8.941 -2.393 6.404 1.00 0.00 H new ATOM 0 HA THR A 36 -9.966 0.334 6.819 1.00 0.00 H new ATOM 0 HB THR A 36 -11.456 -1.560 7.298 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.400 -0.375 9.694 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.857 -3.224 9.039 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.707 -3.270 7.682 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.254 -2.470 9.205 1.00 0.00 H new ATOM 614 N SER A 37 -7.208 -0.078 7.740 1.00 0.00 N ATOM 615 CA SER A 37 -6.066 0.311 8.567 1.00 0.00 C ATOM 616 C SER A 37 -4.786 0.251 7.738 1.00 0.00 C ATOM 617 O SER A 37 -4.252 -0.829 7.485 1.00 0.00 O ATOM 618 CB SER A 37 -5.936 -0.623 9.778 1.00 0.00 C ATOM 619 OG SER A 37 -5.254 0.057 10.822 1.00 0.00 O ATOM 0 H SER A 37 -6.974 -0.278 6.768 1.00 0.00 H new ATOM 0 HA SER A 37 -6.225 1.329 8.923 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.923 -0.938 10.117 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.392 -1.525 9.499 1.00 0.00 H new ATOM 0 HG SER A 37 -4.289 -0.092 10.734 1.00 0.00 H new ATOM 625 N THR A 38 -4.301 1.416 7.310 1.00 0.00 N ATOM 626 CA THR A 38 -3.088 1.467 6.503 1.00 0.00 C ATOM 627 C THR A 38 -1.903 1.915 7.343 1.00 0.00 C ATOM 628 O THR A 38 -1.785 3.085 7.711 1.00 0.00 O ATOM 629 CB THR A 38 -3.280 2.425 5.318 1.00 0.00 C ATOM 630 OG1 THR A 38 -2.011 2.871 4.857 1.00 0.00 O ATOM 631 CG2 THR A 38 -4.121 3.632 5.746 1.00 0.00 C ATOM 0 H THR A 38 -4.724 2.323 7.506 1.00 0.00 H new ATOM 0 HA THR A 38 -2.887 0.465 6.124 1.00 0.00 H new ATOM 0 HB THR A 38 -3.797 1.898 4.516 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.122 3.695 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.251 4.304 4.898 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.097 3.291 6.091 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.614 4.160 6.554 1.00 0.00 H new ATOM 639 N ASP A 39 -1.022 0.969 7.628 1.00 0.00 N ATOM 640 CA ASP A 39 0.169 1.244 8.407 1.00 0.00 C ATOM 641 C ASP A 39 1.321 0.374 7.907 1.00 0.00 C ATOM 642 O ASP A 39 1.145 -0.826 7.688 1.00 0.00 O ATOM 643 CB ASP A 39 -0.125 0.983 9.884 1.00 0.00 C ATOM 644 CG ASP A 39 1.159 0.672 10.646 1.00 0.00 C ATOM 645 OD1 ASP A 39 2.026 1.528 10.686 1.00 0.00 O ATOM 646 OD2 ASP A 39 1.254 -0.418 11.179 1.00 0.00 O ATOM 0 H ASP A 39 -1.113 -0.002 7.328 1.00 0.00 H new ATOM 0 HA ASP A 39 0.461 2.288 8.293 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.611 1.855 10.322 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.820 0.149 9.979 1.00 0.00 H new ATOM 651 N TYR A 40 2.488 0.982 7.716 1.00 0.00 N ATOM 652 CA TYR A 40 3.655 0.248 7.227 1.00 0.00 C ATOM 653 C TYR A 40 3.847 -1.065 7.991 1.00 0.00 C ATOM 654 O TYR A 40 4.050 -2.118 7.385 1.00 0.00 O ATOM 655 CB TYR A 40 4.911 1.115 7.360 1.00 0.00 C ATOM 656 CG TYR A 40 6.117 0.349 6.863 1.00 0.00 C ATOM 657 CD1 TYR A 40 6.450 0.367 5.503 1.00 0.00 C ATOM 658 CD2 TYR A 40 6.902 -0.381 7.764 1.00 0.00 C ATOM 659 CE1 TYR A 40 7.566 -0.343 5.045 1.00 0.00 C ATOM 660 CE2 TYR A 40 8.019 -1.092 7.307 1.00 0.00 C ATOM 661 CZ TYR A 40 8.351 -1.073 5.947 1.00 0.00 C ATOM 662 OH TYR A 40 9.451 -1.773 5.496 1.00 0.00 O ATOM 0 H TYR A 40 2.652 1.973 7.890 1.00 0.00 H new ATOM 0 HA TYR A 40 3.487 0.008 6.177 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.792 2.035 6.787 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.056 1.404 8.401 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.845 0.929 4.807 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.646 -0.396 8.813 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.822 -0.328 3.996 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.624 -1.654 8.003 1.00 0.00 H new ATOM 0 HH TYR A 40 9.884 -2.223 6.251 1.00 0.00 H new ATOM 672 N HIS A 41 3.790 -0.994 9.321 1.00 0.00 N ATOM 673 CA HIS A 41 3.968 -2.183 10.156 1.00 0.00 C ATOM 674 C HIS A 41 2.850 -3.201 9.918 1.00 0.00 C ATOM 675 O HIS A 41 3.112 -4.392 9.744 1.00 0.00 O ATOM 676 CB HIS A 41 3.989 -1.782 11.637 1.00 0.00 C ATOM 677 CG HIS A 41 4.777 -2.790 12.431 1.00 0.00 C ATOM 678 ND1 HIS A 41 5.760 -2.413 13.333 1.00 0.00 N ATOM 679 CD2 HIS A 41 4.734 -4.162 12.477 1.00 0.00 C ATOM 680 CE1 HIS A 41 6.263 -3.536 13.879 1.00 0.00 C ATOM 681 NE2 HIS A 41 5.673 -4.630 13.391 1.00 0.00 N ATOM 0 H HIS A 41 3.623 -0.132 9.841 1.00 0.00 H new ATOM 0 HA HIS A 41 4.917 -2.646 9.885 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.432 -0.792 11.748 1.00 0.00 H new ATOM 0 HB3 HIS A 41 2.970 -1.720 12.020 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.072 -4.783 11.892 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.048 -3.550 14.621 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.869 -5.601 13.636 1.00 0.00 H new ATOM 690 N GLU A 42 1.607 -2.725 9.925 1.00 0.00 N ATOM 691 CA GLU A 42 0.453 -3.603 9.724 1.00 0.00 C ATOM 692 C GLU A 42 0.548 -4.341 8.393 1.00 0.00 C ATOM 693 O GLU A 42 0.416 -5.565 8.342 1.00 0.00 O ATOM 694 CB GLU A 42 -0.838 -2.784 9.751 1.00 0.00 C ATOM 695 CG GLU A 42 -1.279 -2.556 11.201 1.00 0.00 C ATOM 696 CD GLU A 42 -2.379 -1.496 11.257 1.00 0.00 C ATOM 697 OE1 GLU A 42 -2.994 -1.247 10.231 1.00 0.00 O ATOM 698 OE2 GLU A 42 -2.591 -0.947 12.326 1.00 0.00 O ATOM 0 H GLU A 42 1.372 -1.743 10.067 1.00 0.00 H new ATOM 0 HA GLU A 42 0.446 -4.335 10.531 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.682 -1.827 9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.621 -3.305 9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.642 -3.490 11.630 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.427 -2.239 11.802 1.00 0.00 H new ATOM 705 N ILE A 43 0.775 -3.591 7.319 1.00 0.00 N ATOM 706 CA ILE A 43 0.882 -4.187 5.993 1.00 0.00 C ATOM 707 C ILE A 43 2.123 -5.072 5.912 1.00 0.00 C ATOM 708 O ILE A 43 2.077 -6.167 5.351 1.00 0.00 O ATOM 709 CB ILE A 43 0.940 -3.084 4.925 1.00 0.00 C ATOM 710 CG1 ILE A 43 -0.486 -2.669 4.537 1.00 0.00 C ATOM 711 CG2 ILE A 43 1.670 -3.598 3.678 1.00 0.00 C ATOM 712 CD1 ILE A 43 -1.107 -1.821 5.651 1.00 0.00 C ATOM 0 H ILE A 43 0.888 -2.577 7.340 1.00 0.00 H new ATOM 0 HA ILE A 43 0.003 -4.805 5.810 1.00 0.00 H new ATOM 0 HB ILE A 43 1.477 -2.227 5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.468 -2.103 3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.096 -3.555 4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.706 -2.809 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.685 -3.891 3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.138 -4.460 3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.119 -1.531 5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.141 -2.401 6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.504 -0.927 5.807 1.00 0.00 H new ATOM 724 N SER A 44 3.227 -4.594 6.481 1.00 0.00 N ATOM 725 CA SER A 44 4.472 -5.356 6.473 1.00 0.00 C ATOM 726 C SER A 44 4.229 -6.772 6.991 1.00 0.00 C ATOM 727 O SER A 44 4.648 -7.748 6.370 1.00 0.00 O ATOM 728 CB SER A 44 5.520 -4.660 7.344 1.00 0.00 C ATOM 729 OG SER A 44 6.558 -5.579 7.667 1.00 0.00 O ATOM 0 H SER A 44 3.285 -3.690 6.950 1.00 0.00 H new ATOM 0 HA SER A 44 4.839 -5.412 5.448 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.933 -3.800 6.817 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.057 -4.283 8.256 1.00 0.00 H new ATOM 0 HG SER A 44 7.229 -5.132 8.224 1.00 0.00 H new ATOM 735 N SER A 45 3.544 -6.871 8.130 1.00 0.00 N ATOM 736 CA SER A 45 3.243 -8.169 8.728 1.00 0.00 C ATOM 737 C SER A 45 2.348 -8.992 7.806 1.00 0.00 C ATOM 738 O SER A 45 2.506 -10.209 7.703 1.00 0.00 O ATOM 739 CB SER A 45 2.546 -7.972 10.075 1.00 0.00 C ATOM 740 OG SER A 45 2.508 -9.212 10.770 1.00 0.00 O ATOM 0 H SER A 45 3.189 -6.071 8.654 1.00 0.00 H new ATOM 0 HA SER A 45 4.180 -8.705 8.877 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.077 -7.226 10.667 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.534 -7.596 9.922 1.00 0.00 H new ATOM 0 HG SER A 45 2.063 -9.089 11.635 1.00 0.00 H new ATOM 746 N TYR A 46 1.412 -8.322 7.135 1.00 0.00 N ATOM 747 CA TYR A 46 0.497 -9.003 6.222 1.00 0.00 C ATOM 748 C TYR A 46 1.282 -9.719 5.127 1.00 0.00 C ATOM 749 O TYR A 46 0.908 -10.809 4.691 1.00 0.00 O ATOM 750 CB TYR A 46 -0.465 -7.986 5.595 1.00 0.00 C ATOM 751 CG TYR A 46 -1.475 -8.697 4.720 1.00 0.00 C ATOM 752 CD1 TYR A 46 -1.189 -8.926 3.367 1.00 0.00 C ATOM 753 CD2 TYR A 46 -2.696 -9.122 5.258 1.00 0.00 C ATOM 754 CE1 TYR A 46 -2.124 -9.580 2.555 1.00 0.00 C ATOM 755 CE2 TYR A 46 -3.631 -9.774 4.444 1.00 0.00 C ATOM 756 CZ TYR A 46 -3.344 -10.003 3.093 1.00 0.00 C ATOM 757 OH TYR A 46 -4.267 -10.643 2.291 1.00 0.00 O ATOM 0 H TYR A 46 1.268 -7.315 7.206 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.077 -9.741 6.783 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.979 -7.429 6.378 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.094 -7.261 5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.248 -8.598 2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.917 -8.947 6.301 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.903 -9.758 1.513 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.573 -10.100 4.859 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.097 -10.782 2.794 1.00 0.00 H new ATOM 767 N LEU A 47 2.378 -9.102 4.695 1.00 0.00 N ATOM 768 CA LEU A 47 3.219 -9.691 3.659 1.00 0.00 C ATOM 769 C LEU A 47 4.017 -10.860 4.230 1.00 0.00 C ATOM 770 O LEU A 47 4.087 -11.930 3.624 1.00 0.00 O ATOM 771 CB LEU A 47 4.169 -8.632 3.092 1.00 0.00 C ATOM 772 CG LEU A 47 3.353 -7.506 2.442 1.00 0.00 C ATOM 773 CD1 LEU A 47 4.241 -6.276 2.240 1.00 0.00 C ATOM 774 CD2 LEU A 47 2.818 -7.976 1.084 1.00 0.00 C ATOM 0 H LEU A 47 2.703 -8.200 5.044 1.00 0.00 H new ATOM 0 HA LEU A 47 2.582 -10.061 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.796 -8.228 3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.836 -9.083 2.357 1.00 0.00 H new ATOM 0 HG LEU A 47 2.518 -7.247 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.659 -5.479 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.619 -5.938 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.079 -6.535 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.239 -7.175 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.653 -8.239 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.181 -8.849 1.226 1.00 0.00 H new ATOM 786 N GLU A 48 4.607 -10.652 5.407 1.00 0.00 N ATOM 787 CA GLU A 48 5.387 -11.700 6.064 1.00 0.00 C ATOM 788 C GLU A 48 4.486 -12.877 6.434 1.00 0.00 C ATOM 789 O GLU A 48 4.930 -14.025 6.479 1.00 0.00 O ATOM 790 CB GLU A 48 6.045 -11.150 7.336 1.00 0.00 C ATOM 791 CG GLU A 48 6.943 -9.958 6.989 1.00 0.00 C ATOM 792 CD GLU A 48 8.127 -10.415 6.141 1.00 0.00 C ATOM 793 OE1 GLU A 48 8.922 -11.196 6.638 1.00 0.00 O ATOM 794 OE2 GLU A 48 8.220 -9.977 5.006 1.00 0.00 O ATOM 0 H GLU A 48 4.560 -9.773 5.922 1.00 0.00 H new ATOM 0 HA GLU A 48 6.159 -12.039 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.279 -10.843 8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.633 -11.931 7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.368 -9.206 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.303 -9.487 7.904 1.00 0.00 H new ATOM 801 N LEU A 49 3.220 -12.570 6.702 1.00 0.00 N ATOM 802 CA LEU A 49 2.242 -13.587 7.080 1.00 0.00 C ATOM 803 C LEU A 49 1.977 -14.554 5.927 1.00 0.00 C ATOM 804 O LEU A 49 1.360 -15.602 6.120 1.00 0.00 O ATOM 805 CB LEU A 49 0.930 -12.915 7.497 1.00 0.00 C ATOM 806 CG LEU A 49 1.008 -12.506 8.974 1.00 0.00 C ATOM 807 CD1 LEU A 49 0.091 -11.305 9.228 1.00 0.00 C ATOM 808 CD2 LEU A 49 0.563 -13.680 9.852 1.00 0.00 C ATOM 0 H LEU A 49 2.846 -11.622 6.664 1.00 0.00 H new ATOM 0 HA LEU A 49 2.649 -14.154 7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.745 -12.039 6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.095 -13.598 7.342 1.00 0.00 H new ATOM 0 HG LEU A 49 2.035 -12.234 9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.150 -11.018 10.278 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.407 -10.468 8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.936 -11.573 8.982 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.618 -13.391 10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.463 -13.952 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.217 -14.534 9.676 1.00 0.00 H new ATOM 820 N ASN A 50 2.439 -14.193 4.732 1.00 0.00 N ATOM 821 CA ASN A 50 2.236 -15.038 3.557 1.00 0.00 C ATOM 822 C ASN A 50 3.395 -14.881 2.575 1.00 0.00 C ATOM 823 O ASN A 50 3.509 -13.869 1.882 1.00 0.00 O ATOM 824 CB ASN A 50 0.923 -14.661 2.862 1.00 0.00 C ATOM 825 CG ASN A 50 -0.231 -14.690 3.861 1.00 0.00 C ATOM 826 OD1 ASN A 50 -0.908 -15.709 4.002 1.00 0.00 O ATOM 827 ND2 ASN A 50 -0.495 -13.624 4.567 1.00 0.00 N ATOM 0 H ASN A 50 2.952 -13.330 4.552 1.00 0.00 H new ATOM 0 HA ASN A 50 2.190 -16.077 3.885 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.008 -13.667 2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.724 -15.354 2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.264 -13.634 5.237 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.067 -12.781 4.448 1.00 0.00 H new ATOM 834 N ALA A 51 4.255 -15.898 2.530 1.00 0.00 N ATOM 835 CA ALA A 51 5.416 -15.888 1.644 1.00 0.00 C ATOM 836 C ALA A 51 4.998 -15.677 0.190 1.00 0.00 C ATOM 837 O ALA A 51 5.789 -15.207 -0.629 1.00 0.00 O ATOM 838 CB ALA A 51 6.179 -17.208 1.769 1.00 0.00 C ATOM 0 H ALA A 51 4.168 -16.740 3.098 1.00 0.00 H new ATOM 0 HA ALA A 51 6.060 -15.061 1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.043 -17.193 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.514 -17.339 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.524 -18.034 1.493 1.00 0.00 H new ATOM 844 N ASP A 52 3.755 -16.034 -0.125 1.00 0.00 N ATOM 845 CA ASP A 52 3.244 -15.886 -1.484 1.00 0.00 C ATOM 846 C ASP A 52 3.257 -14.420 -1.910 1.00 0.00 C ATOM 847 O ASP A 52 3.365 -14.111 -3.097 1.00 0.00 O ATOM 848 CB ASP A 52 1.814 -16.430 -1.566 1.00 0.00 C ATOM 849 CG ASP A 52 1.795 -17.914 -1.206 1.00 0.00 C ATOM 850 OD1 ASP A 52 2.252 -18.706 -2.015 1.00 0.00 O ATOM 851 OD2 ASP A 52 1.324 -18.237 -0.128 1.00 0.00 O ATOM 0 H ASP A 52 3.087 -16.426 0.539 1.00 0.00 H new ATOM 0 HA ASP A 52 3.889 -16.452 -2.156 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.166 -15.875 -0.887 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.419 -16.287 -2.572 1.00 0.00 H new ATOM 856 N TYR A 53 3.149 -13.524 -0.932 1.00 0.00 N ATOM 857 CA TYR A 53 3.152 -12.091 -1.212 1.00 0.00 C ATOM 858 C TYR A 53 4.558 -11.516 -1.061 1.00 0.00 C ATOM 859 O TYR A 53 4.857 -10.446 -1.590 1.00 0.00 O ATOM 860 CB TYR A 53 2.188 -11.371 -0.266 1.00 0.00 C ATOM 861 CG TYR A 53 0.771 -11.785 -0.591 1.00 0.00 C ATOM 862 CD1 TYR A 53 0.317 -13.061 -0.237 1.00 0.00 C ATOM 863 CD2 TYR A 53 -0.087 -10.896 -1.250 1.00 0.00 C ATOM 864 CE1 TYR A 53 -0.992 -13.448 -0.541 1.00 0.00 C ATOM 865 CE2 TYR A 53 -1.398 -11.283 -1.555 1.00 0.00 C ATOM 866 CZ TYR A 53 -1.849 -12.560 -1.199 1.00 0.00 C ATOM 867 OH TYR A 53 -3.139 -12.945 -1.498 1.00 0.00 O ATOM 0 H TYR A 53 3.059 -13.763 0.056 1.00 0.00 H new ATOM 0 HA TYR A 53 2.825 -11.939 -2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.423 -11.618 0.769 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.297 -10.291 -0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.978 -13.747 0.271 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.262 -9.911 -1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.341 -14.433 -0.268 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.060 -10.598 -2.064 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.582 -12.236 -2.010 1.00 0.00 H new ATOM 877 N LEU A 54 5.418 -12.241 -0.346 1.00 0.00 N ATOM 878 CA LEU A 54 6.798 -11.805 -0.139 1.00 0.00 C ATOM 879 C LEU A 54 7.457 -11.455 -1.472 1.00 0.00 C ATOM 880 O LEU A 54 8.416 -10.685 -1.521 1.00 0.00 O ATOM 881 CB LEU A 54 7.597 -12.914 0.554 1.00 0.00 C ATOM 882 CG LEU A 54 8.851 -12.323 1.209 1.00 0.00 C ATOM 883 CD1 LEU A 54 8.494 -11.749 2.582 1.00 0.00 C ATOM 884 CD2 LEU A 54 9.906 -13.421 1.376 1.00 0.00 C ATOM 0 H LEU A 54 5.184 -13.129 0.098 1.00 0.00 H new ATOM 0 HA LEU A 54 6.788 -10.916 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.979 -13.403 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.880 -13.677 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 54 9.247 -11.529 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.388 -11.330 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.744 -10.966 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.095 -12.542 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.798 -13.001 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.507 -14.216 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.165 -13.829 0.399 1.00 0.00 H new ATOM 896 N HIS A 55 6.929 -12.036 -2.550 1.00 0.00 N ATOM 897 CA HIS A 55 7.459 -11.799 -3.891 1.00 0.00 C ATOM 898 C HIS A 55 7.103 -10.392 -4.386 1.00 0.00 C ATOM 899 O HIS A 55 7.069 -10.140 -5.592 1.00 0.00 O ATOM 900 CB HIS A 55 6.890 -12.851 -4.851 1.00 0.00 C ATOM 901 CG HIS A 55 7.548 -12.727 -6.198 1.00 0.00 C ATOM 902 ND1 HIS A 55 6.825 -12.779 -7.378 1.00 0.00 N ATOM 903 CD2 HIS A 55 8.858 -12.549 -6.569 1.00 0.00 C ATOM 904 CE1 HIS A 55 7.695 -12.632 -8.395 1.00 0.00 C ATOM 905 NE2 HIS A 55 8.948 -12.489 -7.956 1.00 0.00 N ATOM 0 H HIS A 55 6.134 -12.674 -2.519 1.00 0.00 H new ATOM 0 HA HIS A 55 8.546 -11.877 -3.856 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.054 -13.850 -4.447 1.00 0.00 H new ATOM 0 HB3 HIS A 55 5.812 -12.720 -4.950 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.692 -12.468 -5.888 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.414 -12.630 -9.438 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.790 -12.363 -8.517 1.00 0.00 H new ATOM 914 N THR A 56 6.846 -9.476 -3.453 1.00 0.00 N ATOM 915 CA THR A 56 6.504 -8.105 -3.815 1.00 0.00 C ATOM 916 C THR A 56 7.042 -7.131 -2.773 1.00 0.00 C ATOM 917 O THR A 56 6.692 -5.951 -2.774 1.00 0.00 O ATOM 918 CB THR A 56 4.980 -7.960 -3.941 1.00 0.00 C ATOM 919 OG1 THR A 56 4.676 -6.852 -4.775 1.00 0.00 O ATOM 920 CG2 THR A 56 4.348 -7.755 -2.560 1.00 0.00 C ATOM 0 H THR A 56 6.868 -9.658 -2.450 1.00 0.00 H new ATOM 0 HA THR A 56 6.962 -7.871 -4.776 1.00 0.00 H new ATOM 0 HB THR A 56 4.574 -8.871 -4.381 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.715 -6.667 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.268 -7.654 -2.666 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.572 -8.613 -1.926 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.754 -6.852 -2.104 1.00 0.00 H new ATOM 928 N MET A 57 7.897 -7.636 -1.886 1.00 0.00 N ATOM 929 CA MET A 57 8.485 -6.805 -0.841 1.00 0.00 C ATOM 930 C MET A 57 9.059 -5.527 -1.444 1.00 0.00 C ATOM 931 O MET A 57 8.795 -4.427 -0.960 1.00 0.00 O ATOM 932 CB MET A 57 9.595 -7.579 -0.122 1.00 0.00 C ATOM 933 CG MET A 57 9.874 -6.937 1.239 1.00 0.00 C ATOM 934 SD MET A 57 9.372 -8.070 2.558 1.00 0.00 S ATOM 935 CE MET A 57 7.583 -7.874 2.363 1.00 0.00 C ATOM 0 H MET A 57 8.196 -8.611 -1.871 1.00 0.00 H new ATOM 0 HA MET A 57 7.707 -6.541 -0.125 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.299 -8.620 0.010 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.502 -7.580 -0.727 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.934 -6.702 1.331 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.330 -5.996 1.327 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.070 -8.398 3.169 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.327 -6.815 2.397 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.274 -8.291 1.405 1.00 0.00 H new ATOM 945 N ALA A 58 9.838 -5.686 -2.511 1.00 0.00 N ATOM 946 CA ALA A 58 10.440 -4.545 -3.190 1.00 0.00 C ATOM 947 C ALA A 58 9.356 -3.612 -3.722 1.00 0.00 C ATOM 948 O ALA A 58 9.532 -2.393 -3.750 1.00 0.00 O ATOM 949 CB ALA A 58 11.319 -5.027 -4.348 1.00 0.00 C ATOM 0 H ALA A 58 10.066 -6.591 -2.922 1.00 0.00 H new ATOM 0 HA ALA A 58 11.056 -4.000 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.764 -4.167 -4.849 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.109 -5.671 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.710 -5.586 -5.059 1.00 0.00 H new ATOM 955 N THR A 59 8.232 -4.196 -4.138 1.00 0.00 N ATOM 956 CA THR A 59 7.127 -3.407 -4.665 1.00 0.00 C ATOM 957 C THR A 59 6.408 -2.676 -3.536 1.00 0.00 C ATOM 958 O THR A 59 6.058 -1.505 -3.673 1.00 0.00 O ATOM 959 CB THR A 59 6.138 -4.319 -5.391 1.00 0.00 C ATOM 960 OG1 THR A 59 6.843 -5.158 -6.295 1.00 0.00 O ATOM 961 CG2 THR A 59 5.123 -3.473 -6.162 1.00 0.00 C ATOM 0 H THR A 59 8.067 -5.202 -4.119 1.00 0.00 H new ATOM 0 HA THR A 59 7.528 -2.673 -5.364 1.00 0.00 H new ATOM 0 HB THR A 59 5.611 -4.933 -4.660 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.209 -5.744 -6.759 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.421 -4.128 -6.678 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.579 -2.833 -5.467 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.645 -2.854 -6.892 1.00 0.00 H new ATOM 969 N PHE A 60 6.194 -3.374 -2.423 1.00 0.00 N ATOM 970 CA PHE A 60 5.517 -2.776 -1.277 1.00 0.00 C ATOM 971 C PHE A 60 6.264 -1.526 -0.822 1.00 0.00 C ATOM 972 O PHE A 60 5.669 -0.460 -0.661 1.00 0.00 O ATOM 973 CB PHE A 60 5.438 -3.790 -0.127 1.00 0.00 C ATOM 974 CG PHE A 60 5.144 -3.075 1.176 1.00 0.00 C ATOM 975 CD1 PHE A 60 4.064 -2.186 1.263 1.00 0.00 C ATOM 976 CD2 PHE A 60 5.955 -3.301 2.297 1.00 0.00 C ATOM 977 CE1 PHE A 60 3.796 -1.525 2.467 1.00 0.00 C ATOM 978 CE2 PHE A 60 5.685 -2.638 3.500 1.00 0.00 C ATOM 979 CZ PHE A 60 4.606 -1.750 3.586 1.00 0.00 C ATOM 0 H PHE A 60 6.477 -4.345 -2.291 1.00 0.00 H new ATOM 0 HA PHE A 60 4.506 -2.495 -1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.659 -4.524 -0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.378 -4.336 -0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.438 -2.011 0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.787 -3.986 2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.963 -0.840 2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.310 -2.812 4.363 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.399 -1.239 4.515 1.00 0.00 H new ATOM 989 N ASP A 61 7.574 -1.666 -0.630 1.00 0.00 N ATOM 990 CA ASP A 61 8.400 -0.541 -0.210 1.00 0.00 C ATOM 991 C ASP A 61 8.213 0.631 -1.168 1.00 0.00 C ATOM 992 O ASP A 61 7.992 1.764 -0.743 1.00 0.00 O ATOM 993 CB ASP A 61 9.874 -0.954 -0.179 1.00 0.00 C ATOM 994 CG ASP A 61 10.742 0.231 0.241 1.00 0.00 C ATOM 995 OD1 ASP A 61 10.511 0.761 1.317 1.00 0.00 O ATOM 996 OD2 ASP A 61 11.624 0.595 -0.520 1.00 0.00 O ATOM 0 H ASP A 61 8.082 -2.541 -0.758 1.00 0.00 H new ATOM 0 HA ASP A 61 8.095 -0.236 0.791 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.013 -1.782 0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.181 -1.309 -1.163 1.00 0.00 H new ATOM 1001 N GLU A 62 8.300 0.338 -2.465 1.00 0.00 N ATOM 1002 CA GLU A 62 8.137 1.362 -3.490 1.00 0.00 C ATOM 1003 C GLU A 62 6.709 1.904 -3.487 1.00 0.00 C ATOM 1004 O GLU A 62 6.495 3.107 -3.641 1.00 0.00 O ATOM 1005 CB GLU A 62 8.467 0.774 -4.866 1.00 0.00 C ATOM 1006 CG GLU A 62 8.134 1.794 -5.962 1.00 0.00 C ATOM 1007 CD GLU A 62 8.907 1.462 -7.236 1.00 0.00 C ATOM 1008 OE1 GLU A 62 8.600 0.451 -7.847 1.00 0.00 O ATOM 1009 OE2 GLU A 62 9.795 2.225 -7.584 1.00 0.00 O ATOM 0 H GLU A 62 8.482 -0.598 -2.828 1.00 0.00 H new ATOM 0 HA GLU A 62 8.820 2.183 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.523 0.507 -4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.899 -0.143 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.063 1.786 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.387 2.799 -5.624 1.00 0.00 H new ATOM 1016 N ALA A 63 5.739 1.010 -3.313 1.00 0.00 N ATOM 1017 CA ALA A 63 4.338 1.413 -3.295 1.00 0.00 C ATOM 1018 C ALA A 63 4.087 2.399 -2.161 1.00 0.00 C ATOM 1019 O ALA A 63 3.457 3.438 -2.363 1.00 0.00 O ATOM 1020 CB ALA A 63 3.440 0.186 -3.120 1.00 0.00 C ATOM 0 H ALA A 63 5.896 0.011 -3.184 1.00 0.00 H new ATOM 0 HA ALA A 63 4.103 1.896 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.396 0.498 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.603 -0.505 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.681 -0.310 -2.180 1.00 0.00 H new ATOM 1026 N TRP A 64 4.593 2.075 -0.972 1.00 0.00 N ATOM 1027 CA TRP A 64 4.424 2.955 0.179 1.00 0.00 C ATOM 1028 C TRP A 64 4.925 4.358 -0.151 1.00 0.00 C ATOM 1029 O TRP A 64 4.237 5.347 0.103 1.00 0.00 O ATOM 1030 CB TRP A 64 5.183 2.408 1.392 1.00 0.00 C ATOM 1031 CG TRP A 64 4.841 3.232 2.592 1.00 0.00 C ATOM 1032 CD1 TRP A 64 5.563 4.286 3.040 1.00 0.00 C ATOM 1033 CD2 TRP A 64 3.706 3.100 3.498 1.00 0.00 C ATOM 1034 NE1 TRP A 64 4.943 4.808 4.160 1.00 0.00 N ATOM 1035 CE2 TRP A 64 3.796 4.110 4.484 1.00 0.00 C ATOM 1036 CE3 TRP A 64 2.618 2.210 3.559 1.00 0.00 C ATOM 1037 CZ2 TRP A 64 2.843 4.235 5.494 1.00 0.00 C ATOM 1038 CZ3 TRP A 64 1.656 2.332 4.576 1.00 0.00 C ATOM 1039 CH2 TRP A 64 1.768 3.343 5.541 1.00 0.00 C ATOM 0 H TRP A 64 5.117 1.220 -0.783 1.00 0.00 H new ATOM 0 HA TRP A 64 3.362 3.001 0.420 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.917 1.365 1.563 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.257 2.437 1.209 1.00 0.00 H new ATOM 0 HD1 TRP A 64 6.474 4.658 2.595 1.00 0.00 H new ATOM 0 HE1 TRP A 64 5.291 5.611 4.684 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.522 1.428 2.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.935 5.016 6.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.825 1.643 4.615 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.025 3.432 6.319 1.00 0.00 H new ATOM 1050 N ASP A 65 6.126 4.435 -0.726 1.00 0.00 N ATOM 1051 CA ASP A 65 6.707 5.722 -1.099 1.00 0.00 C ATOM 1052 C ASP A 65 5.723 6.512 -1.955 1.00 0.00 C ATOM 1053 O ASP A 65 5.563 7.721 -1.782 1.00 0.00 O ATOM 1054 CB ASP A 65 8.016 5.514 -1.868 1.00 0.00 C ATOM 1055 CG ASP A 65 8.931 4.547 -1.113 1.00 0.00 C ATOM 1056 OD1 ASP A 65 8.918 4.573 0.108 1.00 0.00 O ATOM 1057 OD2 ASP A 65 9.634 3.796 -1.768 1.00 0.00 O ATOM 0 H ASP A 65 6.710 3.627 -0.942 1.00 0.00 H new ATOM 0 HA ASP A 65 6.920 6.284 -0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.803 5.121 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.521 6.470 -2.005 1.00 0.00 H new ATOM 1062 N GLN A 66 5.056 5.810 -2.871 1.00 0.00 N ATOM 1063 CA GLN A 66 4.075 6.444 -3.745 1.00 0.00 C ATOM 1064 C GLN A 66 2.843 6.833 -2.937 1.00 0.00 C ATOM 1065 O GLN A 66 2.338 7.951 -3.055 1.00 0.00 O ATOM 1066 CB GLN A 66 3.676 5.481 -4.870 1.00 0.00 C ATOM 1067 CG GLN A 66 2.915 6.242 -5.962 1.00 0.00 C ATOM 1068 CD GLN A 66 3.895 6.987 -6.864 1.00 0.00 C ATOM 1069 OE1 GLN A 66 4.139 8.178 -6.666 1.00 0.00 O ATOM 1070 NE2 GLN A 66 4.475 6.354 -7.847 1.00 0.00 N ATOM 0 H GLN A 66 5.177 4.809 -3.025 1.00 0.00 H new ATOM 0 HA GLN A 66 4.515 7.340 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.565 5.013 -5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.053 4.680 -4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.321 5.546 -6.554 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.220 6.947 -5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.271 5.368 -8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.132 6.846 -8.453 1.00 0.00 H new ATOM 1079 N TYR A 67 2.374 5.903 -2.106 1.00 0.00 N ATOM 1080 CA TYR A 67 1.208 6.153 -1.265 1.00 0.00 C ATOM 1081 C TYR A 67 1.406 7.437 -0.465 1.00 0.00 C ATOM 1082 O TYR A 67 0.576 8.345 -0.518 1.00 0.00 O ATOM 1083 CB TYR A 67 0.994 4.973 -0.311 1.00 0.00 C ATOM 1084 CG TYR A 67 -0.074 5.319 0.703 1.00 0.00 C ATOM 1085 CD1 TYR A 67 -1.422 5.316 0.327 1.00 0.00 C ATOM 1086 CD2 TYR A 67 0.287 5.641 2.017 1.00 0.00 C ATOM 1087 CE1 TYR A 67 -2.411 5.633 1.267 1.00 0.00 C ATOM 1088 CE2 TYR A 67 -0.702 5.959 2.956 1.00 0.00 C ATOM 1089 CZ TYR A 67 -2.051 5.955 2.580 1.00 0.00 C ATOM 1090 OH TYR A 67 -3.024 6.268 3.506 1.00 0.00 O ATOM 0 H TYR A 67 2.782 4.975 -1.998 1.00 0.00 H new ATOM 0 HA TYR A 67 0.329 6.264 -1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.700 4.087 -0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.927 4.732 0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.700 5.069 -0.687 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.328 5.644 2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.452 5.629 0.978 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.425 6.207 3.970 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.603 6.465 4.369 1.00 0.00 H new ATOM 1100 N GLU A 68 2.513 7.501 0.271 1.00 0.00 N ATOM 1101 CA GLU A 68 2.820 8.677 1.075 1.00 0.00 C ATOM 1102 C GLU A 68 2.802 9.937 0.213 1.00 0.00 C ATOM 1103 O GLU A 68 2.176 10.926 0.567 1.00 0.00 O ATOM 1104 CB GLU A 68 4.199 8.523 1.727 1.00 0.00 C ATOM 1105 CG GLU A 68 4.073 7.724 3.030 1.00 0.00 C ATOM 1106 CD GLU A 68 3.158 8.455 4.011 1.00 0.00 C ATOM 1107 OE1 GLU A 68 3.543 9.519 4.470 1.00 0.00 O ATOM 1108 OE2 GLU A 68 2.087 7.940 4.288 1.00 0.00 O ATOM 0 H GLU A 68 3.208 6.756 0.326 1.00 0.00 H new ATOM 0 HA GLU A 68 2.060 8.769 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.880 8.016 1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.626 9.505 1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.674 6.732 2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.058 7.583 3.476 1.00 0.00 H new ATOM 1115 N SER A 69 3.488 9.887 -0.922 1.00 0.00 N ATOM 1116 CA SER A 69 3.551 11.032 -1.832 1.00 0.00 C ATOM 1117 C SER A 69 2.151 11.540 -2.178 1.00 0.00 C ATOM 1118 O SER A 69 1.969 12.715 -2.495 1.00 0.00 O ATOM 1119 CB SER A 69 4.286 10.631 -3.115 1.00 0.00 C ATOM 1120 OG SER A 69 3.912 11.506 -4.173 1.00 0.00 O ATOM 0 H SER A 69 4.009 9.069 -1.237 1.00 0.00 H new ATOM 0 HA SER A 69 4.092 11.836 -1.333 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.364 10.675 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.044 9.601 -3.378 1.00 0.00 H new ATOM 0 HG SER A 69 4.384 11.249 -4.992 1.00 0.00 H new ATOM 1126 N GLU A 70 1.177 10.640 -2.134 1.00 0.00 N ATOM 1127 CA GLU A 70 -0.202 10.986 -2.466 1.00 0.00 C ATOM 1128 C GLU A 70 -0.932 11.616 -1.281 1.00 0.00 C ATOM 1129 O GLU A 70 -1.517 12.694 -1.408 1.00 0.00 O ATOM 1130 CB GLU A 70 -0.952 9.732 -2.923 1.00 0.00 C ATOM 1131 CG GLU A 70 -0.181 9.071 -4.072 1.00 0.00 C ATOM 1132 CD GLU A 70 -0.867 9.351 -5.409 1.00 0.00 C ATOM 1133 OE1 GLU A 70 -1.322 10.467 -5.601 1.00 0.00 O ATOM 1134 OE2 GLU A 70 -0.919 8.448 -6.225 1.00 0.00 O ATOM 0 H GLU A 70 1.315 9.664 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.176 11.721 -3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.058 9.035 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.958 9.995 -3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.842 9.448 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.121 7.995 -3.906 1.00 0.00 H new ATOM 1141 N VAL A 71 -0.933 10.922 -0.149 1.00 0.00 N ATOM 1142 CA VAL A 71 -1.642 11.402 1.037 1.00 0.00 C ATOM 1143 C VAL A 71 -0.779 12.335 1.893 1.00 0.00 C ATOM 1144 O VAL A 71 -1.303 13.065 2.736 1.00 0.00 O ATOM 1145 CB VAL A 71 -2.081 10.199 1.876 1.00 0.00 C ATOM 1146 CG1 VAL A 71 -3.189 10.621 2.847 1.00 0.00 C ATOM 1147 CG2 VAL A 71 -2.611 9.098 0.950 1.00 0.00 C ATOM 0 H VAL A 71 -0.455 10.030 -0.025 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.506 11.975 0.701 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.228 9.825 2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.498 9.762 3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.816 11.404 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.042 10.998 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.924 8.241 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.462 9.477 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.824 8.793 0.260 1.00 0.00 H new ATOM 1157 N HIS A 72 0.533 12.323 1.674 1.00 0.00 N ATOM 1158 CA HIS A 72 1.430 13.191 2.439 1.00 0.00 C ATOM 1159 C HIS A 72 1.345 14.625 1.922 1.00 0.00 C ATOM 1160 O HIS A 72 1.775 15.563 2.596 1.00 0.00 O ATOM 1161 CB HIS A 72 2.877 12.693 2.341 1.00 0.00 C ATOM 1162 CG HIS A 72 3.749 13.490 3.272 1.00 0.00 C ATOM 1163 ND1 HIS A 72 4.436 14.619 2.855 1.00 0.00 N ATOM 1164 CD2 HIS A 72 4.052 13.336 4.602 1.00 0.00 C ATOM 1165 CE1 HIS A 72 5.113 15.096 3.915 1.00 0.00 C ATOM 1166 NE2 HIS A 72 4.913 14.351 5.006 1.00 0.00 N ATOM 0 H HIS A 72 0.996 11.732 0.984 1.00 0.00 H new ATOM 0 HA HIS A 72 1.119 13.167 3.483 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.926 11.635 2.597 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.237 12.790 1.317 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.679 12.547 5.238 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.741 15.974 3.888 1.00 0.00 H new ATOM 0 HE2 HIS A 72 5.307 14.496 5.936 1.00 0.00 H new ATOM 1175 N GLY A 73 0.780 14.787 0.726 1.00 0.00 N ATOM 1176 CA GLY A 73 0.634 16.112 0.130 1.00 0.00 C ATOM 1177 C GLY A 73 -0.344 16.963 0.933 1.00 0.00 C ATOM 1178 O GLY A 73 -0.577 18.130 0.612 1.00 0.00 O ATOM 0 H GLY A 73 0.419 14.023 0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.605 16.606 0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.282 16.017 -0.897 1.00 0.00 H new