USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 158:sc= -0.0396 (180deg=-0.483) USER MOD Single : A 1 MET N :NH3+ 169:sc= -1.3! (180deg=-1.4!) USER MOD Single : A 2 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.22) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 175:sc= -0.82 USER MOD Single : A 9 THR OG1 : rot -32:sc= 0.269 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -120:sc= 0.22 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0951 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00171) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -4.27! C(o=-4.3!,f=-9.7!) USER MOD Single : A 41 GLN : amide:sc= -0.472 K(o=-0.47,f=-2.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.361 K(o=-0.36,f=-2!) USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00332 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= -0.199 USER MOD Single : A 60 ASN : amide:sc= -1.36 K(o=-1.4,f=-3.8!) USER MOD Single : A 62 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.0042) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 51:sc= 0.798 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.087) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.332 -5.561 4.404 1.00 0.00 N ATOM 2 CA MET A 1 -12.474 -4.884 5.682 1.00 0.00 C ATOM 3 C MET A 1 -11.662 -3.588 5.710 1.00 0.00 C ATOM 4 O MET A 1 -11.152 -3.149 4.681 1.00 0.00 O ATOM 5 CB MET A 1 -11.999 -5.809 6.805 1.00 0.00 C ATOM 6 CG MET A 1 -10.521 -6.164 6.634 1.00 0.00 C ATOM 7 SD MET A 1 -10.036 -7.369 7.859 1.00 0.00 S ATOM 8 CE MET A 1 -10.811 -8.827 7.181 1.00 0.00 C ATOM 0 H1 MET A 1 -12.734 -6.518 4.471 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.836 -5.025 3.669 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.324 -5.626 4.155 1.00 0.00 H new ATOM 0 HA MET A 1 -13.525 -4.634 5.825 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.151 -5.324 7.769 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.598 -6.720 6.808 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.347 -6.560 5.634 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.909 -5.267 6.732 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.315 -9.717 7.569 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.863 -8.846 7.466 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.729 -8.810 6.094 1.00 0.00 H new ATOM 18 N GLN A 2 -11.568 -3.011 6.899 1.00 0.00 N ATOM 19 CA GLN A 2 -10.826 -1.775 7.074 1.00 0.00 C ATOM 20 C GLN A 2 -9.352 -2.074 7.352 1.00 0.00 C ATOM 21 O GLN A 2 -9.023 -3.108 7.932 1.00 0.00 O ATOM 22 CB GLN A 2 -11.432 -0.925 8.193 1.00 0.00 C ATOM 23 CG GLN A 2 -10.609 0.342 8.428 1.00 0.00 C ATOM 24 CD GLN A 2 -11.313 1.280 9.411 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.166 1.182 10.617 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.086 2.193 8.828 1.00 0.00 N ATOM 0 H GLN A 2 -11.994 -3.377 7.751 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.892 -1.202 6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.456 -0.655 7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.478 -1.508 9.113 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.626 0.075 8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.449 0.856 7.481 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.165 2.220 7.811 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.599 2.865 9.398 1.00 0.00 H new ATOM 35 N ILE A 3 -8.503 -1.151 6.924 1.00 0.00 N ATOM 36 CA ILE A 3 -7.071 -1.303 7.119 1.00 0.00 C ATOM 37 C ILE A 3 -6.454 0.064 7.424 1.00 0.00 C ATOM 38 O ILE A 3 -7.058 1.097 7.144 1.00 0.00 O ATOM 39 CB ILE A 3 -6.439 -2.010 5.918 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.168 -1.021 4.781 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.300 -3.188 5.459 1.00 0.00 C ATOM 42 CD1 ILE A 3 -7.455 -0.314 4.351 1.00 0.00 C ATOM 0 H ILE A 3 -8.779 -0.295 6.443 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.869 -1.943 7.978 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.477 -2.417 6.229 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.434 -0.283 5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.737 -1.549 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.828 -3.673 4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.399 -3.905 6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.287 -2.827 5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.235 0.383 3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.178 -1.053 4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.870 0.233 5.198 1.00 0.00 H new ATOM 54 N PHE A 4 -5.258 0.024 7.993 1.00 0.00 N ATOM 55 CA PHE A 4 -4.553 1.245 8.338 1.00 0.00 C ATOM 56 C PHE A 4 -3.227 1.345 7.583 1.00 0.00 C ATOM 57 O PHE A 4 -2.257 0.674 7.932 1.00 0.00 O ATOM 58 CB PHE A 4 -4.267 1.188 9.840 1.00 0.00 C ATOM 59 CG PHE A 4 -5.455 1.596 10.716 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.657 0.979 10.561 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.308 2.575 11.648 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.758 1.359 11.372 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.409 2.953 12.460 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.612 2.338 12.305 1.00 0.00 C ATOM 0 H PHE A 4 -4.760 -0.836 8.223 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.159 2.111 8.071 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.965 0.174 10.104 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.423 1.840 10.064 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.774 0.201 9.821 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.353 3.065 11.770 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.713 0.870 11.248 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.291 3.729 13.201 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.450 2.627 12.922 1.00 0.00 H new ATOM 74 N VAL A 5 -3.225 2.189 6.562 1.00 0.00 N ATOM 75 CA VAL A 5 -2.034 2.386 5.754 1.00 0.00 C ATOM 76 C VAL A 5 -1.229 3.559 6.317 1.00 0.00 C ATOM 77 O VAL A 5 -1.801 4.511 6.846 1.00 0.00 O ATOM 78 CB VAL A 5 -2.422 2.575 4.286 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.033 3.959 4.056 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.220 2.347 3.367 1.00 0.00 C ATOM 0 H VAL A 5 -4.031 2.745 6.276 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.394 1.504 5.795 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.178 1.829 4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.300 4.069 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.926 4.069 4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.308 4.726 4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.523 2.488 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.433 3.059 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.847 1.332 3.501 1.00 0.00 H new ATOM 90 N LYS A 6 0.085 3.453 6.182 1.00 0.00 N ATOM 91 CA LYS A 6 0.973 4.494 6.670 1.00 0.00 C ATOM 92 C LYS A 6 1.572 5.247 5.480 1.00 0.00 C ATOM 93 O LYS A 6 1.668 4.702 4.381 1.00 0.00 O ATOM 94 CB LYS A 6 2.022 3.904 7.616 1.00 0.00 C ATOM 95 CG LYS A 6 1.448 3.715 9.021 1.00 0.00 C ATOM 96 CD LYS A 6 1.935 2.403 9.640 1.00 0.00 C ATOM 97 CE LYS A 6 3.316 2.576 10.274 1.00 0.00 C ATOM 98 NZ LYS A 6 3.535 1.558 11.325 1.00 0.00 N ATOM 0 H LYS A 6 0.556 2.662 5.742 1.00 0.00 H new ATOM 0 HA LYS A 6 0.418 5.222 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.368 2.946 7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.889 4.563 7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.743 4.552 9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.359 3.718 8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.224 2.067 10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.977 1.629 8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.087 2.489 9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.403 3.574 10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.477 1.690 11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.810 1.660 12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.472 0.608 10.907 1.00 0.00 H new ATOM 112 N THR A 7 1.961 6.487 5.739 1.00 0.00 N ATOM 113 CA THR A 7 2.548 7.319 4.703 1.00 0.00 C ATOM 114 C THR A 7 4.072 7.335 4.832 1.00 0.00 C ATOM 115 O THR A 7 4.616 6.945 5.865 1.00 0.00 O ATOM 116 CB THR A 7 1.915 8.709 4.799 1.00 0.00 C ATOM 117 OG1 THR A 7 0.536 8.447 5.038 1.00 0.00 O ATOM 118 CG2 THR A 7 1.929 9.452 3.462 1.00 0.00 C ATOM 0 H THR A 7 1.881 6.935 6.652 1.00 0.00 H new ATOM 0 HA THR A 7 2.342 6.920 3.710 1.00 0.00 H new ATOM 0 HB THR A 7 2.446 9.299 5.547 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.065 9.292 5.195 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.468 10.432 3.586 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.958 9.575 3.125 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.370 8.879 2.722 1.00 0.00 H new ATOM 126 N LEU A 8 4.719 7.789 3.769 1.00 0.00 N ATOM 127 CA LEU A 8 6.170 7.860 3.750 1.00 0.00 C ATOM 128 C LEU A 8 6.641 8.865 4.802 1.00 0.00 C ATOM 129 O LEU A 8 7.830 8.939 5.109 1.00 0.00 O ATOM 130 CB LEU A 8 6.674 8.168 2.338 1.00 0.00 C ATOM 131 CG LEU A 8 8.150 7.866 2.072 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.388 6.360 1.948 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.652 8.629 0.844 1.00 0.00 C ATOM 0 H LEU A 8 4.265 8.111 2.914 1.00 0.00 H new ATOM 0 HA LEU A 8 6.601 6.894 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.074 7.600 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.497 9.224 2.133 1.00 0.00 H new ATOM 0 HG LEU A 8 8.730 8.214 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.445 6.173 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.092 5.867 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.796 5.965 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.704 8.397 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.072 8.334 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.539 9.700 1.010 1.00 0.00 H new ATOM 145 N THR A 9 5.683 9.617 5.326 1.00 0.00 N ATOM 146 CA THR A 9 5.986 10.615 6.339 1.00 0.00 C ATOM 147 C THR A 9 5.653 10.079 7.733 1.00 0.00 C ATOM 148 O THR A 9 6.020 10.685 8.738 1.00 0.00 O ATOM 149 CB THR A 9 5.225 11.894 5.983 1.00 0.00 C ATOM 150 OG1 THR A 9 5.729 12.864 6.897 1.00 0.00 O ATOM 151 CG2 THR A 9 3.735 11.803 6.320 1.00 0.00 C ATOM 0 H THR A 9 4.698 9.555 5.068 1.00 0.00 H new ATOM 0 HA THR A 9 7.051 10.847 6.360 1.00 0.00 H new ATOM 0 HB THR A 9 5.344 12.102 4.920 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.960 12.427 7.743 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.243 12.736 6.047 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.286 10.980 5.764 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.614 11.628 7.389 1.00 0.00 H new ATOM 159 N GLY A 10 4.962 8.949 7.748 1.00 0.00 N ATOM 160 CA GLY A 10 4.576 8.324 9.001 1.00 0.00 C ATOM 161 C GLY A 10 3.134 8.678 9.370 1.00 0.00 C ATOM 162 O GLY A 10 2.703 8.448 10.498 1.00 0.00 O ATOM 0 H GLY A 10 4.659 8.450 6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.679 7.242 8.918 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.248 8.648 9.795 1.00 0.00 H new ATOM 166 N LYS A 11 2.427 9.233 8.395 1.00 0.00 N ATOM 167 CA LYS A 11 1.042 9.621 8.603 1.00 0.00 C ATOM 168 C LYS A 11 0.162 8.369 8.609 1.00 0.00 C ATOM 169 O LYS A 11 0.488 7.373 7.967 1.00 0.00 O ATOM 170 CB LYS A 11 0.618 10.666 7.568 1.00 0.00 C ATOM 171 CG LYS A 11 0.949 12.079 8.049 1.00 0.00 C ATOM 172 CD LYS A 11 0.145 13.125 7.275 1.00 0.00 C ATOM 173 CE LYS A 11 -1.088 13.565 8.065 1.00 0.00 C ATOM 174 NZ LYS A 11 -2.091 14.176 7.165 1.00 0.00 N ATOM 0 H LYS A 11 2.788 9.423 7.460 1.00 0.00 H new ATOM 0 HA LYS A 11 0.922 10.100 9.574 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.124 10.472 6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.452 10.583 7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.733 12.164 9.114 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.015 12.269 7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.774 13.990 7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.163 12.714 6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.525 12.707 8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.798 14.281 8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.921 14.469 7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.677 15.007 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.381 13.482 6.446 1.00 0.00 H new ATOM 188 N THR A 12 -0.937 8.463 9.344 1.00 0.00 N ATOM 189 CA THR A 12 -1.868 7.351 9.442 1.00 0.00 C ATOM 190 C THR A 12 -3.100 7.608 8.575 1.00 0.00 C ATOM 191 O THR A 12 -3.837 8.567 8.804 1.00 0.00 O ATOM 192 CB THR A 12 -2.197 7.141 10.921 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.972 6.688 11.490 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.166 5.977 11.146 1.00 0.00 C ATOM 0 H THR A 12 -1.203 9.291 9.877 1.00 0.00 H new ATOM 0 HA THR A 12 -1.428 6.431 9.058 1.00 0.00 H new ATOM 0 HB THR A 12 -2.627 8.056 11.330 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.096 6.529 12.449 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.366 5.871 12.212 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.100 6.174 10.619 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.723 5.056 10.767 1.00 0.00 H new ATOM 202 N ILE A 13 -3.289 6.736 7.595 1.00 0.00 N ATOM 203 CA ILE A 13 -4.421 6.857 6.692 1.00 0.00 C ATOM 204 C ILE A 13 -5.213 5.547 6.696 1.00 0.00 C ATOM 205 O ILE A 13 -4.717 4.517 6.244 1.00 0.00 O ATOM 206 CB ILE A 13 -3.952 7.288 5.301 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.284 8.664 5.349 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.106 7.246 4.297 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.328 8.850 4.171 1.00 0.00 C ATOM 0 H ILE A 13 -2.677 5.942 7.407 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.098 7.640 7.032 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.200 6.577 4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.046 9.443 5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.738 8.775 6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.746 7.557 3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.498 6.231 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.897 7.921 4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.867 9.836 4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.553 8.084 4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.881 8.763 3.236 1.00 0.00 H new ATOM 221 N THR A 14 -6.431 5.631 7.212 1.00 0.00 N ATOM 222 CA THR A 14 -7.296 4.465 7.280 1.00 0.00 C ATOM 223 C THR A 14 -8.240 4.432 6.076 1.00 0.00 C ATOM 224 O THR A 14 -8.708 5.473 5.620 1.00 0.00 O ATOM 225 CB THR A 14 -8.025 4.497 8.625 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.993 4.752 9.574 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.570 3.125 9.026 1.00 0.00 C ATOM 0 H THR A 14 -6.839 6.488 7.587 1.00 0.00 H new ATOM 0 HA THR A 14 -6.721 3.540 7.228 1.00 0.00 H new ATOM 0 HB THR A 14 -8.845 5.214 8.577 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.945 4.010 10.213 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.078 3.202 9.987 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.274 2.778 8.270 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.746 2.416 9.107 1.00 0.00 H new ATOM 235 N LEU A 15 -8.493 3.222 5.598 1.00 0.00 N ATOM 236 CA LEU A 15 -9.373 3.039 4.456 1.00 0.00 C ATOM 237 C LEU A 15 -10.275 1.826 4.703 1.00 0.00 C ATOM 238 O LEU A 15 -9.804 0.778 5.140 1.00 0.00 O ATOM 239 CB LEU A 15 -8.562 2.947 3.162 1.00 0.00 C ATOM 240 CG LEU A 15 -9.028 3.845 2.014 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.437 3.463 1.558 1.00 0.00 C ATOM 242 CD2 LEU A 15 -8.930 5.323 2.399 1.00 0.00 C ATOM 0 H LEU A 15 -8.104 2.360 5.980 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.025 3.904 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.524 3.190 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.579 1.913 2.818 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.362 3.689 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.745 4.116 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.441 2.428 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.131 3.572 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.267 5.939 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.558 5.515 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.895 5.569 2.637 1.00 0.00 H new ATOM 254 N GLU A 16 -11.554 2.012 4.412 1.00 0.00 N ATOM 255 CA GLU A 16 -12.525 0.947 4.597 1.00 0.00 C ATOM 256 C GLU A 16 -12.810 0.252 3.264 1.00 0.00 C ATOM 257 O GLU A 16 -13.272 0.883 2.316 1.00 0.00 O ATOM 258 CB GLU A 16 -13.814 1.483 5.222 1.00 0.00 C ATOM 259 CG GLU A 16 -14.825 0.357 5.445 1.00 0.00 C ATOM 260 CD GLU A 16 -15.883 0.342 4.340 1.00 0.00 C ATOM 261 OE1 GLU A 16 -16.434 1.431 4.067 1.00 0.00 O ATOM 262 OE2 GLU A 16 -16.118 -0.757 3.793 1.00 0.00 O ATOM 0 H GLU A 16 -11.940 2.884 4.050 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.104 0.213 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.588 1.967 6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.248 2.243 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.307 -0.602 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.308 0.484 6.414 1.00 0.00 H new ATOM 269 N VAL A 17 -12.522 -1.042 3.234 1.00 0.00 N ATOM 270 CA VAL A 17 -12.741 -1.830 2.034 1.00 0.00 C ATOM 271 C VAL A 17 -13.294 -3.202 2.423 1.00 0.00 C ATOM 272 O VAL A 17 -13.459 -3.495 3.607 1.00 0.00 O ATOM 273 CB VAL A 17 -11.447 -1.915 1.221 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.109 -0.566 0.584 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.289 -2.419 2.084 1.00 0.00 C ATOM 0 H VAL A 17 -12.139 -1.564 4.022 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.482 -1.352 1.393 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.604 -2.635 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.185 -0.655 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.919 -0.264 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.982 0.183 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.382 -2.470 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.133 -1.735 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.526 -3.411 2.468 1.00 0.00 H new ATOM 285 N GLU A 18 -13.564 -4.007 1.406 1.00 0.00 N ATOM 286 CA GLU A 18 -14.095 -5.341 1.627 1.00 0.00 C ATOM 287 C GLU A 18 -13.023 -6.393 1.340 1.00 0.00 C ATOM 288 O GLU A 18 -12.034 -6.109 0.665 1.00 0.00 O ATOM 289 CB GLU A 18 -15.344 -5.582 0.776 1.00 0.00 C ATOM 290 CG GLU A 18 -16.613 -5.490 1.625 1.00 0.00 C ATOM 291 CD GLU A 18 -17.697 -6.431 1.095 1.00 0.00 C ATOM 292 OE1 GLU A 18 -18.443 -5.988 0.196 1.00 0.00 O ATOM 293 OE2 GLU A 18 -17.754 -7.573 1.600 1.00 0.00 O ATOM 0 H GLU A 18 -13.425 -3.761 0.426 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.388 -5.426 2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.387 -4.848 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.286 -6.565 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.382 -5.742 2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.983 -4.465 1.622 1.00 0.00 H new ATOM 300 N PRO A 19 -13.262 -7.618 1.879 1.00 0.00 N ATOM 301 CA PRO A 19 -12.328 -8.715 1.688 1.00 0.00 C ATOM 302 C PRO A 19 -12.430 -9.281 0.270 1.00 0.00 C ATOM 303 O PRO A 19 -11.543 -10.004 -0.179 1.00 0.00 O ATOM 304 CB PRO A 19 -12.688 -9.731 2.760 1.00 0.00 C ATOM 305 CG PRO A 19 -14.096 -9.379 3.211 1.00 0.00 C ATOM 306 CD PRO A 19 -14.422 -7.992 2.683 1.00 0.00 C ATOM 0 HA PRO A 19 -11.288 -8.404 1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.646 -10.746 2.366 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.987 -9.684 3.594 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.812 -10.109 2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.165 -9.399 4.299 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.333 -8.001 2.084 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.583 -7.286 3.498 1.00 0.00 H new ATOM 314 N SER A 20 -13.520 -8.930 -0.396 1.00 0.00 N ATOM 315 CA SER A 20 -13.751 -9.394 -1.754 1.00 0.00 C ATOM 316 C SER A 20 -13.134 -8.414 -2.753 1.00 0.00 C ATOM 317 O SER A 20 -12.807 -8.793 -3.877 1.00 0.00 O ATOM 318 CB SER A 20 -15.246 -9.564 -2.031 1.00 0.00 C ATOM 319 OG SER A 20 -15.561 -10.882 -2.472 1.00 0.00 O ATOM 0 H SER A 20 -14.254 -8.329 -0.020 1.00 0.00 H new ATOM 0 HA SER A 20 -13.275 -10.368 -1.869 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.810 -9.340 -1.126 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.559 -8.844 -2.787 1.00 0.00 H new ATOM 0 HG SER A 20 -16.525 -10.950 -2.636 1.00 0.00 H new ATOM 325 N ASP A 21 -12.992 -7.174 -2.308 1.00 0.00 N ATOM 326 CA ASP A 21 -12.419 -6.137 -3.149 1.00 0.00 C ATOM 327 C ASP A 21 -10.949 -6.462 -3.421 1.00 0.00 C ATOM 328 O ASP A 21 -10.254 -6.985 -2.552 1.00 0.00 O ATOM 329 CB ASP A 21 -12.482 -4.772 -2.461 1.00 0.00 C ATOM 330 CG ASP A 21 -13.826 -4.437 -1.812 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.801 -5.155 -2.122 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.849 -3.469 -1.022 1.00 0.00 O ATOM 0 H ASP A 21 -13.264 -6.864 -1.375 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.991 -6.100 -4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.706 -4.731 -1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.248 -4.001 -3.195 1.00 0.00 H new ATOM 337 N THR A 22 -10.520 -6.139 -4.632 1.00 0.00 N ATOM 338 CA THR A 22 -9.145 -6.389 -5.031 1.00 0.00 C ATOM 339 C THR A 22 -8.244 -5.232 -4.596 1.00 0.00 C ATOM 340 O THR A 22 -8.731 -4.203 -4.130 1.00 0.00 O ATOM 341 CB THR A 22 -9.128 -6.639 -6.539 1.00 0.00 C ATOM 342 OG1 THR A 22 -10.080 -5.712 -7.056 1.00 0.00 O ATOM 343 CG2 THR A 22 -9.701 -8.008 -6.913 1.00 0.00 C ATOM 0 H THR A 22 -11.100 -5.706 -5.350 1.00 0.00 H new ATOM 0 HA THR A 22 -8.745 -7.274 -4.536 1.00 0.00 H new ATOM 0 HB THR A 22 -8.105 -6.561 -6.908 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.131 -5.805 -8.030 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.665 -8.134 -7.995 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.112 -8.792 -6.437 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.735 -8.075 -6.574 1.00 0.00 H new ATOM 351 N ILE A 23 -6.946 -5.439 -4.764 1.00 0.00 N ATOM 352 CA ILE A 23 -5.973 -4.425 -4.394 1.00 0.00 C ATOM 353 C ILE A 23 -6.249 -3.147 -5.188 1.00 0.00 C ATOM 354 O ILE A 23 -6.321 -2.060 -4.616 1.00 0.00 O ATOM 355 CB ILE A 23 -4.550 -4.961 -4.566 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.266 -6.091 -3.575 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.522 -3.832 -4.459 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.211 -5.561 -2.141 1.00 0.00 C ATOM 0 H ILE A 23 -6.546 -6.294 -5.151 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.068 -4.172 -3.338 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.462 -5.382 -5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.041 -6.853 -3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.320 -6.570 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.519 -4.240 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.713 -3.092 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.601 -3.359 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.008 -6.384 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.419 -4.817 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.167 -5.104 -1.885 1.00 0.00 H new ATOM 370 N GLU A 24 -6.395 -3.318 -6.494 1.00 0.00 N ATOM 371 CA GLU A 24 -6.661 -2.191 -7.372 1.00 0.00 C ATOM 372 C GLU A 24 -7.893 -1.422 -6.890 1.00 0.00 C ATOM 373 O GLU A 24 -7.938 -0.197 -6.980 1.00 0.00 O ATOM 374 CB GLU A 24 -6.836 -2.654 -8.819 1.00 0.00 C ATOM 375 CG GLU A 24 -7.978 -3.664 -8.939 1.00 0.00 C ATOM 376 CD GLU A 24 -7.766 -4.594 -10.136 1.00 0.00 C ATOM 377 OE1 GLU A 24 -7.720 -4.062 -11.266 1.00 0.00 O ATOM 378 OE2 GLU A 24 -7.657 -5.815 -9.894 1.00 0.00 O ATOM 0 H GLU A 24 -6.334 -4.220 -6.965 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.803 -1.520 -7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.038 -1.794 -9.457 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.909 -3.104 -9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.045 -4.253 -8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.925 -3.136 -9.048 1.00 0.00 H new ATOM 385 N ASN A 25 -8.862 -2.175 -6.389 1.00 0.00 N ATOM 386 CA ASN A 25 -10.091 -1.579 -5.892 1.00 0.00 C ATOM 387 C ASN A 25 -9.777 -0.724 -4.663 1.00 0.00 C ATOM 388 O ASN A 25 -10.275 0.394 -4.537 1.00 0.00 O ATOM 389 CB ASN A 25 -11.095 -2.655 -5.475 1.00 0.00 C ATOM 390 CG ASN A 25 -12.532 -2.188 -5.720 1.00 0.00 C ATOM 391 OD1 ASN A 25 -12.908 -1.067 -5.417 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.311 -3.107 -6.284 1.00 0.00 N ATOM 0 H ASN A 25 -8.821 -3.192 -6.317 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.520 -0.975 -6.691 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.906 -3.571 -6.035 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.961 -2.893 -4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.287 -2.892 -6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.932 -4.026 -6.512 1.00 0.00 H new ATOM 399 N VAL A 26 -8.954 -1.281 -3.787 1.00 0.00 N ATOM 400 CA VAL A 26 -8.568 -0.584 -2.573 1.00 0.00 C ATOM 401 C VAL A 26 -7.784 0.677 -2.942 1.00 0.00 C ATOM 402 O VAL A 26 -8.018 1.746 -2.379 1.00 0.00 O ATOM 403 CB VAL A 26 -7.789 -1.525 -1.653 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.432 -0.834 -0.336 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.571 -2.816 -1.401 1.00 0.00 C ATOM 0 H VAL A 26 -8.543 -2.209 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.451 -0.267 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.858 -1.789 -2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.879 -1.525 0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.817 0.043 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.346 -0.526 0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.995 -3.468 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.525 -2.578 -0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.751 -3.323 -2.349 1.00 0.00 H new ATOM 415 N LYS A 27 -6.866 0.511 -3.883 1.00 0.00 N ATOM 416 CA LYS A 27 -6.045 1.621 -4.334 1.00 0.00 C ATOM 417 C LYS A 27 -6.939 2.684 -4.975 1.00 0.00 C ATOM 418 O LYS A 27 -6.740 3.879 -4.763 1.00 0.00 O ATOM 419 CB LYS A 27 -4.927 1.124 -5.251 1.00 0.00 C ATOM 420 CG LYS A 27 -3.648 0.846 -4.457 1.00 0.00 C ATOM 421 CD LYS A 27 -3.066 -0.523 -4.817 1.00 0.00 C ATOM 422 CE LYS A 27 -1.567 -0.421 -5.105 1.00 0.00 C ATOM 423 NZ LYS A 27 -0.874 -1.660 -4.684 1.00 0.00 N ATOM 0 H LYS A 27 -6.673 -0.377 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.545 2.092 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.247 0.215 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.726 1.868 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.912 1.623 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.863 0.884 -3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.236 -1.222 -3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.582 -0.924 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.406 -0.251 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.147 0.435 -4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.145 -1.568 -4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.027 -1.815 -3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.252 -2.468 -5.218 1.00 0.00 H new ATOM 437 N ALA A 28 -7.907 2.211 -5.746 1.00 0.00 N ATOM 438 CA ALA A 28 -8.833 3.104 -6.420 1.00 0.00 C ATOM 439 C ALA A 28 -9.583 3.936 -5.377 1.00 0.00 C ATOM 440 O ALA A 28 -9.814 5.127 -5.576 1.00 0.00 O ATOM 441 CB ALA A 28 -9.778 2.289 -7.306 1.00 0.00 C ATOM 0 H ALA A 28 -8.070 1.219 -5.919 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.295 3.795 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.472 2.960 -7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.198 1.741 -8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.337 1.585 -6.690 1.00 0.00 H new ATOM 447 N LYS A 29 -9.944 3.274 -4.287 1.00 0.00 N ATOM 448 CA LYS A 29 -10.663 3.936 -3.213 1.00 0.00 C ATOM 449 C LYS A 29 -9.769 5.013 -2.595 1.00 0.00 C ATOM 450 O LYS A 29 -10.223 6.125 -2.330 1.00 0.00 O ATOM 451 CB LYS A 29 -11.179 2.910 -2.202 1.00 0.00 C ATOM 452 CG LYS A 29 -12.632 3.199 -1.822 1.00 0.00 C ATOM 453 CD LYS A 29 -13.113 2.243 -0.728 1.00 0.00 C ATOM 454 CE LYS A 29 -14.265 2.858 0.071 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.564 2.333 -0.405 1.00 0.00 N ATOM 0 H LYS A 29 -9.751 2.285 -4.125 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.548 4.440 -3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.102 1.908 -2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.555 2.929 -1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.723 4.229 -1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.268 3.101 -2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.438 1.305 -1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.287 2.006 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.141 2.633 1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.246 3.943 -0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.335 2.760 0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.687 2.569 -1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.585 1.300 -0.287 1.00 0.00 H new ATOM 469 N ILE A 30 -8.514 4.645 -2.382 1.00 0.00 N ATOM 470 CA ILE A 30 -7.552 5.566 -1.800 1.00 0.00 C ATOM 471 C ILE A 30 -7.347 6.749 -2.749 1.00 0.00 C ATOM 472 O ILE A 30 -7.145 7.877 -2.304 1.00 0.00 O ATOM 473 CB ILE A 30 -6.258 4.833 -1.441 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.527 3.699 -0.450 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.201 5.810 -0.922 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.499 2.578 -0.607 1.00 0.00 C ATOM 0 H ILE A 30 -8.141 3.722 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.931 5.972 -0.862 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.859 4.379 -2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.495 4.086 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.530 3.302 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.291 5.264 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.981 6.551 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.577 6.313 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.713 1.785 0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.550 2.177 -1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.500 2.972 -0.423 1.00 0.00 H new ATOM 488 N GLN A 31 -7.405 6.449 -4.038 1.00 0.00 N ATOM 489 CA GLN A 31 -7.228 7.474 -5.053 1.00 0.00 C ATOM 490 C GLN A 31 -8.370 8.490 -4.986 1.00 0.00 C ATOM 491 O GLN A 31 -8.135 9.681 -4.783 1.00 0.00 O ATOM 492 CB GLN A 31 -7.128 6.852 -6.448 1.00 0.00 C ATOM 493 CG GLN A 31 -7.117 7.933 -7.530 1.00 0.00 C ATOM 494 CD GLN A 31 -7.336 7.323 -8.916 1.00 0.00 C ATOM 495 OE1 GLN A 31 -6.834 6.260 -9.241 1.00 0.00 O ATOM 496 NE2 GLN A 31 -8.113 8.054 -9.712 1.00 0.00 N ATOM 0 H GLN A 31 -7.572 5.511 -4.403 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.292 7.996 -4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.220 6.252 -6.519 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.969 6.178 -6.611 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.896 8.667 -7.324 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.166 8.464 -7.509 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.501 8.935 -9.376 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.320 7.733 -10.658 1.00 0.00 H new ATOM 505 N ASP A 32 -9.582 7.984 -5.161 1.00 0.00 N ATOM 506 CA ASP A 32 -10.760 8.833 -5.123 1.00 0.00 C ATOM 507 C ASP A 32 -10.771 9.624 -3.814 1.00 0.00 C ATOM 508 O ASP A 32 -11.272 10.746 -3.767 1.00 0.00 O ATOM 509 CB ASP A 32 -12.041 7.999 -5.184 1.00 0.00 C ATOM 510 CG ASP A 32 -13.065 8.460 -6.224 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.617 8.985 -7.266 1.00 0.00 O ATOM 512 OD2 ASP A 32 -14.271 8.277 -5.953 1.00 0.00 O ATOM 0 H ASP A 32 -9.773 6.996 -5.330 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.723 9.501 -5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.773 6.964 -5.395 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.512 8.013 -4.201 1.00 0.00 H new ATOM 517 N LYS A 33 -10.214 9.007 -2.782 1.00 0.00 N ATOM 518 CA LYS A 33 -10.154 9.639 -1.475 1.00 0.00 C ATOM 519 C LYS A 33 -9.036 10.685 -1.471 1.00 0.00 C ATOM 520 O LYS A 33 -9.301 11.883 -1.557 1.00 0.00 O ATOM 521 CB LYS A 33 -10.014 8.585 -0.375 1.00 0.00 C ATOM 522 CG LYS A 33 -11.324 8.425 0.400 1.00 0.00 C ATOM 523 CD LYS A 33 -11.556 9.613 1.336 1.00 0.00 C ATOM 524 CE LYS A 33 -13.020 10.054 1.309 1.00 0.00 C ATOM 525 NZ LYS A 33 -13.451 10.501 2.652 1.00 0.00 N ATOM 0 H LYS A 33 -9.800 8.076 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.085 10.165 -1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.729 7.630 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.215 8.872 0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.156 8.340 -0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.298 7.501 0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.273 9.340 2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.916 10.444 1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.149 10.864 0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.649 9.229 0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.447 10.797 2.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.347 9.718 3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.862 11.303 2.957 1.00 0.00 H new ATOM 539 N GLU A 34 -7.810 10.193 -1.368 1.00 0.00 N ATOM 540 CA GLU A 34 -6.652 11.070 -1.350 1.00 0.00 C ATOM 541 C GLU A 34 -6.534 11.820 -2.679 1.00 0.00 C ATOM 542 O GLU A 34 -6.616 13.047 -2.712 1.00 0.00 O ATOM 543 CB GLU A 34 -5.374 10.284 -1.050 1.00 0.00 C ATOM 544 CG GLU A 34 -5.057 10.304 0.447 1.00 0.00 C ATOM 545 CD GLU A 34 -3.595 10.679 0.693 1.00 0.00 C ATOM 546 OE1 GLU A 34 -2.752 9.760 0.612 1.00 0.00 O ATOM 547 OE2 GLU A 34 -3.352 11.876 0.956 1.00 0.00 O ATOM 0 H GLU A 34 -7.594 9.199 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.786 11.801 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.489 9.254 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.541 10.711 -1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.709 11.018 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.263 9.325 0.879 1.00 0.00 H new ATOM 554 N GLY A 35 -6.343 11.052 -3.741 1.00 0.00 N ATOM 555 CA GLY A 35 -6.213 11.630 -5.068 1.00 0.00 C ATOM 556 C GLY A 35 -4.943 11.131 -5.761 1.00 0.00 C ATOM 557 O GLY A 35 -4.666 11.504 -6.899 1.00 0.00 O ATOM 0 H GLY A 35 -6.275 10.035 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.085 11.371 -5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.188 12.717 -4.994 1.00 0.00 H new ATOM 561 N ILE A 36 -4.206 10.296 -5.045 1.00 0.00 N ATOM 562 CA ILE A 36 -2.972 9.742 -5.576 1.00 0.00 C ATOM 563 C ILE A 36 -3.303 8.596 -6.534 1.00 0.00 C ATOM 564 O ILE A 36 -4.240 7.835 -6.297 1.00 0.00 O ATOM 565 CB ILE A 36 -2.031 9.341 -4.439 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.616 10.561 -3.613 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.821 8.572 -4.973 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.347 10.173 -2.158 1.00 0.00 C ATOM 0 H ILE A 36 -4.439 9.989 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.434 10.495 -6.153 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.570 8.669 -3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.721 11.009 -4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.402 11.316 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.168 8.299 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.159 7.669 -5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.272 9.199 -5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.054 11.058 -1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.251 9.747 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.544 9.437 -2.120 1.00 0.00 H new ATOM 580 N PRO A 37 -2.494 8.506 -7.624 1.00 0.00 N ATOM 581 CA PRO A 37 -2.692 7.465 -8.618 1.00 0.00 C ATOM 582 C PRO A 37 -2.203 6.111 -8.100 1.00 0.00 C ATOM 583 O PRO A 37 -1.304 6.052 -7.261 1.00 0.00 O ATOM 584 CB PRO A 37 -1.931 7.943 -9.844 1.00 0.00 C ATOM 585 CG PRO A 37 -0.958 8.999 -9.345 1.00 0.00 C ATOM 586 CD PRO A 37 -1.375 9.390 -7.937 1.00 0.00 C ATOM 0 HA PRO A 37 -3.744 7.305 -8.856 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.401 7.118 -10.321 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.611 8.358 -10.588 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.061 8.611 -9.347 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.969 9.869 -10.002 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.556 9.258 -7.230 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.672 10.438 -7.888 1.00 0.00 H new ATOM 594 N PRO A 38 -2.831 5.030 -8.635 1.00 0.00 N ATOM 595 CA PRO A 38 -2.468 3.681 -8.234 1.00 0.00 C ATOM 596 C PRO A 38 -1.138 3.262 -8.863 1.00 0.00 C ATOM 597 O PRO A 38 -0.498 2.319 -8.401 1.00 0.00 O ATOM 598 CB PRO A 38 -3.634 2.813 -8.678 1.00 0.00 C ATOM 599 CG PRO A 38 -4.389 3.627 -9.716 1.00 0.00 C ATOM 600 CD PRO A 38 -3.899 5.063 -9.629 1.00 0.00 C ATOM 0 HA PRO A 38 -2.306 3.590 -7.160 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.282 1.872 -9.101 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.278 2.562 -7.835 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.218 3.225 -10.715 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.462 3.578 -9.533 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.532 5.415 -10.593 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.700 5.737 -9.327 1.00 0.00 H new ATOM 608 N ASP A 39 -0.760 3.984 -9.908 1.00 0.00 N ATOM 609 CA ASP A 39 0.483 3.699 -10.605 1.00 0.00 C ATOM 610 C ASP A 39 1.663 4.043 -9.695 1.00 0.00 C ATOM 611 O ASP A 39 2.638 3.296 -9.628 1.00 0.00 O ATOM 612 CB ASP A 39 0.606 4.539 -11.878 1.00 0.00 C ATOM 613 CG ASP A 39 -0.537 4.368 -12.879 1.00 0.00 C ATOM 614 OD1 ASP A 39 -1.696 4.577 -12.460 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.226 4.031 -14.043 1.00 0.00 O ATOM 0 H ASP A 39 -1.293 4.766 -10.289 1.00 0.00 H new ATOM 0 HA ASP A 39 0.487 2.642 -10.870 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.668 5.590 -11.597 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.543 4.286 -12.373 1.00 0.00 H new ATOM 620 N GLN A 40 1.536 5.174 -9.017 1.00 0.00 N ATOM 621 CA GLN A 40 2.581 5.626 -8.113 1.00 0.00 C ATOM 622 C GLN A 40 2.320 5.105 -6.698 1.00 0.00 C ATOM 623 O GLN A 40 3.086 5.389 -5.778 1.00 0.00 O ATOM 624 CB GLN A 40 2.693 7.152 -8.124 1.00 0.00 C ATOM 625 CG GLN A 40 1.681 7.782 -7.165 1.00 0.00 C ATOM 626 CD GLN A 40 1.834 9.304 -7.129 1.00 0.00 C ATOM 627 OE1 GLN A 40 1.414 10.017 -8.025 1.00 0.00 O ATOM 628 NE2 GLN A 40 2.457 9.759 -6.047 1.00 0.00 N ATOM 0 H GLN A 40 0.726 5.791 -9.075 1.00 0.00 H new ATOM 0 HA GLN A 40 3.533 5.222 -8.458 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.703 7.448 -7.839 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.524 7.526 -9.134 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.669 7.522 -7.476 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.821 7.375 -6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.784 9.106 -5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.609 10.761 -5.929 1.00 0.00 H new ATOM 637 N GLN A 41 1.238 4.352 -6.569 1.00 0.00 N ATOM 638 CA GLN A 41 0.867 3.788 -5.282 1.00 0.00 C ATOM 639 C GLN A 41 1.445 2.380 -5.132 1.00 0.00 C ATOM 640 O GLN A 41 1.227 1.522 -5.987 1.00 0.00 O ATOM 641 CB GLN A 41 -0.652 3.780 -5.104 1.00 0.00 C ATOM 642 CG GLN A 41 -1.046 4.308 -3.723 1.00 0.00 C ATOM 643 CD GLN A 41 -2.566 4.415 -3.591 1.00 0.00 C ATOM 644 OE1 GLN A 41 -3.248 3.485 -3.195 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.057 5.601 -3.943 1.00 0.00 N ATOM 0 H GLN A 41 0.606 4.119 -7.335 1.00 0.00 H new ATOM 0 HA GLN A 41 1.288 4.417 -4.497 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.115 4.393 -5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.031 2.766 -5.231 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.656 3.645 -2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.593 5.286 -3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.429 6.337 -4.266 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.061 5.774 -3.889 1.00 0.00 H new ATOM 654 N ARG A 42 2.171 2.185 -4.041 1.00 0.00 N ATOM 655 CA ARG A 42 2.782 0.895 -3.769 1.00 0.00 C ATOM 656 C ARG A 42 2.540 0.489 -2.314 1.00 0.00 C ATOM 657 O ARG A 42 3.183 1.011 -1.405 1.00 0.00 O ATOM 658 CB ARG A 42 4.288 0.932 -4.037 1.00 0.00 C ATOM 659 CG ARG A 42 4.627 0.229 -5.353 1.00 0.00 C ATOM 660 CD ARG A 42 6.066 -0.289 -5.343 1.00 0.00 C ATOM 661 NE ARG A 42 6.662 -0.156 -6.691 1.00 0.00 N ATOM 662 CZ ARG A 42 6.487 -1.043 -7.680 1.00 0.00 C ATOM 663 NH1 ARG A 42 5.734 -2.133 -7.478 1.00 0.00 N ATOM 664 NH2 ARG A 42 7.066 -0.841 -8.872 1.00 0.00 N ATOM 0 H ARG A 42 2.350 2.899 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 42 2.323 0.164 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.629 1.967 -4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.819 0.451 -3.216 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.939 -0.601 -5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.492 0.921 -6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.657 0.270 -4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.083 -1.333 -5.030 1.00 0.00 H new ATOM 0 HE ARG A 42 7.242 0.662 -6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.294 -2.288 -6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.601 -2.808 -8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.640 -0.012 -9.026 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.933 -1.516 -9.625 1.00 0.00 H new ATOM 678 N LEU A 43 1.609 -0.437 -2.139 1.00 0.00 N ATOM 679 CA LEU A 43 1.274 -0.919 -0.809 1.00 0.00 C ATOM 680 C LEU A 43 2.023 -2.227 -0.541 1.00 0.00 C ATOM 681 O LEU A 43 1.885 -3.190 -1.293 1.00 0.00 O ATOM 682 CB LEU A 43 -0.243 -1.036 -0.649 1.00 0.00 C ATOM 683 CG LEU A 43 -1.075 0.058 -1.320 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.559 -0.094 -0.981 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.546 1.448 -0.959 1.00 0.00 C ATOM 0 H LEU A 43 1.076 -0.866 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 43 1.598 -0.205 -0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.557 -2.000 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.477 -1.041 0.416 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.978 -0.055 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.127 0.697 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.914 -1.064 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.695 -0.023 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.155 2.208 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.593 1.586 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.488 1.542 -1.292 1.00 0.00 H new ATOM 697 N ILE A 44 2.798 -2.217 0.532 1.00 0.00 N ATOM 698 CA ILE A 44 3.570 -3.389 0.909 1.00 0.00 C ATOM 699 C ILE A 44 2.901 -4.072 2.103 1.00 0.00 C ATOM 700 O ILE A 44 2.351 -3.404 2.977 1.00 0.00 O ATOM 701 CB ILE A 44 5.032 -3.014 1.155 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.678 -2.461 -0.117 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.813 -4.197 1.729 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.356 -1.117 0.151 1.00 0.00 C ATOM 0 H ILE A 44 2.909 -1.416 1.153 1.00 0.00 H new ATOM 0 HA ILE A 44 3.585 -4.112 0.094 1.00 0.00 H new ATOM 0 HB ILE A 44 5.060 -2.219 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.411 -3.173 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.920 -2.342 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.849 -3.903 1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.367 -4.502 2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.780 -5.030 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.807 -0.747 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.615 -0.400 0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.130 -1.244 0.908 1.00 0.00 H new ATOM 716 N PHE A 45 2.970 -5.396 2.104 1.00 0.00 N ATOM 717 CA PHE A 45 2.379 -6.176 3.177 1.00 0.00 C ATOM 718 C PHE A 45 3.111 -7.508 3.354 1.00 0.00 C ATOM 719 O PHE A 45 3.330 -8.234 2.386 1.00 0.00 O ATOM 720 CB PHE A 45 0.928 -6.455 2.779 1.00 0.00 C ATOM 721 CG PHE A 45 -0.020 -6.632 3.966 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.216 -7.606 4.886 1.00 0.00 C ATOM 723 CD2 PHE A 45 -1.098 -5.814 4.103 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.664 -7.770 5.988 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.979 -5.979 5.207 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.742 -6.953 6.125 1.00 0.00 C ATOM 0 H PHE A 45 3.427 -5.948 1.378 1.00 0.00 H new ATOM 0 HA PHE A 45 2.446 -5.627 4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.568 -5.634 2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.897 -7.355 2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.073 -8.255 4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.285 -5.040 3.374 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.477 -8.544 6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.836 -5.331 5.316 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.411 -7.078 6.964 1.00 0.00 H new ATOM 736 N ALA A 46 3.470 -7.788 4.599 1.00 0.00 N ATOM 737 CA ALA A 46 4.173 -9.019 4.916 1.00 0.00 C ATOM 738 C ALA A 46 5.483 -9.070 4.129 1.00 0.00 C ATOM 739 O ALA A 46 6.091 -10.132 3.995 1.00 0.00 O ATOM 740 CB ALA A 46 3.267 -10.215 4.619 1.00 0.00 C ATOM 0 H ALA A 46 3.287 -7.183 5.400 1.00 0.00 H new ATOM 0 HA ALA A 46 4.424 -9.056 5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.794 -11.139 4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.364 -10.147 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.996 -10.213 3.563 1.00 0.00 H new ATOM 746 N GLY A 47 5.882 -7.910 3.629 1.00 0.00 N ATOM 747 CA GLY A 47 7.110 -7.808 2.858 1.00 0.00 C ATOM 748 C GLY A 47 6.836 -7.993 1.364 1.00 0.00 C ATOM 749 O GLY A 47 7.697 -7.712 0.532 1.00 0.00 O ATOM 0 H GLY A 47 5.376 -7.032 3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.571 -6.835 3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.820 -8.562 3.197 1.00 0.00 H new ATOM 753 N LYS A 48 5.634 -8.465 1.070 1.00 0.00 N ATOM 754 CA LYS A 48 5.236 -8.691 -0.310 1.00 0.00 C ATOM 755 C LYS A 48 4.343 -7.539 -0.774 1.00 0.00 C ATOM 756 O LYS A 48 3.459 -7.100 -0.041 1.00 0.00 O ATOM 757 CB LYS A 48 4.590 -10.070 -0.462 1.00 0.00 C ATOM 758 CG LYS A 48 4.059 -10.273 -1.883 1.00 0.00 C ATOM 759 CD LYS A 48 3.406 -11.648 -2.033 1.00 0.00 C ATOM 760 CE LYS A 48 4.244 -12.558 -2.932 1.00 0.00 C ATOM 761 NZ LYS A 48 4.944 -13.582 -2.124 1.00 0.00 N ATOM 0 H LYS A 48 4.922 -8.697 1.763 1.00 0.00 H new ATOM 0 HA LYS A 48 6.109 -8.700 -0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.320 -10.845 -0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.774 -10.174 0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.334 -9.494 -2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.876 -10.174 -2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.289 -12.108 -1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.407 -11.536 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.603 -13.043 -3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.971 -11.963 -3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.508 -14.192 -2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.571 -13.114 -1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.245 -14.160 -1.616 1.00 0.00 H new ATOM 775 N GLN A 49 4.607 -7.081 -1.989 1.00 0.00 N ATOM 776 CA GLN A 49 3.839 -5.988 -2.560 1.00 0.00 C ATOM 777 C GLN A 49 2.499 -6.501 -3.091 1.00 0.00 C ATOM 778 O GLN A 49 2.429 -7.588 -3.664 1.00 0.00 O ATOM 779 CB GLN A 49 4.629 -5.279 -3.661 1.00 0.00 C ATOM 780 CG GLN A 49 4.800 -6.183 -4.883 1.00 0.00 C ATOM 781 CD GLN A 49 4.091 -5.595 -6.105 1.00 0.00 C ATOM 782 OE1 GLN A 49 3.246 -4.721 -6.002 1.00 0.00 O ATOM 783 NE2 GLN A 49 4.480 -6.122 -7.263 1.00 0.00 N ATOM 0 H GLN A 49 5.342 -7.447 -2.594 1.00 0.00 H new ATOM 0 HA GLN A 49 3.641 -5.260 -1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.114 -4.363 -3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.608 -4.987 -3.281 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.861 -6.310 -5.100 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.398 -7.173 -4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.193 -6.851 -7.278 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.065 -5.797 -8.136 1.00 0.00 H new ATOM 792 N LEU A 50 1.469 -5.695 -2.881 1.00 0.00 N ATOM 793 CA LEU A 50 0.134 -6.054 -3.331 1.00 0.00 C ATOM 794 C LEU A 50 0.039 -5.849 -4.844 1.00 0.00 C ATOM 795 O LEU A 50 0.174 -4.727 -5.332 1.00 0.00 O ATOM 796 CB LEU A 50 -0.923 -5.284 -2.538 1.00 0.00 C ATOM 797 CG LEU A 50 -0.672 -5.154 -1.035 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.767 -4.322 -0.365 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.519 -6.531 -0.383 1.00 0.00 C ATOM 0 H LEU A 50 1.531 -4.795 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.063 -7.109 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.007 -4.283 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.886 -5.773 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 50 0.269 -4.623 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.564 -4.246 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.785 -3.324 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.733 -4.803 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.341 -6.410 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.430 -7.109 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.324 -7.055 -0.834 1.00 0.00 H new ATOM 811 N GLU A 51 -0.193 -6.949 -5.545 1.00 0.00 N ATOM 812 CA GLU A 51 -0.308 -6.904 -6.992 1.00 0.00 C ATOM 813 C GLU A 51 -1.756 -6.623 -7.402 1.00 0.00 C ATOM 814 O GLU A 51 -2.643 -7.438 -7.157 1.00 0.00 O ATOM 815 CB GLU A 51 0.197 -8.203 -7.624 1.00 0.00 C ATOM 816 CG GLU A 51 1.588 -8.563 -7.099 1.00 0.00 C ATOM 817 CD GLU A 51 1.592 -9.956 -6.465 1.00 0.00 C ATOM 818 OE1 GLU A 51 0.947 -10.849 -7.054 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.240 -10.095 -5.405 1.00 0.00 O ATOM 0 H GLU A 51 -0.304 -7.877 -5.137 1.00 0.00 H new ATOM 0 HA GLU A 51 0.318 -6.091 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.499 -9.013 -7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.230 -8.095 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.309 -8.529 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.905 -7.824 -6.363 1.00 0.00 H new ATOM 826 N ASP A 52 -1.949 -5.465 -8.017 1.00 0.00 N ATOM 827 CA ASP A 52 -3.273 -5.066 -8.462 1.00 0.00 C ATOM 828 C ASP A 52 -3.931 -6.233 -9.201 1.00 0.00 C ATOM 829 O ASP A 52 -3.585 -6.520 -10.346 1.00 0.00 O ATOM 830 CB ASP A 52 -3.196 -3.879 -9.424 1.00 0.00 C ATOM 831 CG ASP A 52 -2.998 -2.517 -8.756 1.00 0.00 C ATOM 832 OD1 ASP A 52 -2.157 -2.453 -7.834 1.00 0.00 O ATOM 833 OD2 ASP A 52 -3.693 -1.569 -9.182 1.00 0.00 O ATOM 0 H ASP A 52 -1.210 -4.791 -8.217 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.853 -4.781 -7.584 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.375 -4.048 -10.121 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.113 -3.848 -10.013 1.00 0.00 H new ATOM 838 N GLY A 53 -4.868 -6.873 -8.518 1.00 0.00 N ATOM 839 CA GLY A 53 -5.577 -8.001 -9.096 1.00 0.00 C ATOM 840 C GLY A 53 -5.893 -9.053 -8.031 1.00 0.00 C ATOM 841 O GLY A 53 -6.727 -9.931 -8.248 1.00 0.00 O ATOM 0 H GLY A 53 -5.153 -6.632 -7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.502 -7.656 -9.557 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.974 -8.448 -9.886 1.00 0.00 H new ATOM 845 N ARG A 54 -5.209 -8.931 -6.903 1.00 0.00 N ATOM 846 CA ARG A 54 -5.406 -9.862 -5.803 1.00 0.00 C ATOM 847 C ARG A 54 -6.383 -9.277 -4.782 1.00 0.00 C ATOM 848 O ARG A 54 -6.541 -8.060 -4.694 1.00 0.00 O ATOM 849 CB ARG A 54 -4.081 -10.179 -5.107 1.00 0.00 C ATOM 850 CG ARG A 54 -3.325 -11.286 -5.846 1.00 0.00 C ATOM 851 CD ARG A 54 -3.544 -12.643 -5.173 1.00 0.00 C ATOM 852 NE ARG A 54 -2.403 -13.540 -5.460 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.256 -14.763 -4.932 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.179 -15.242 -4.086 1.00 0.00 N ATOM 855 NH2 ARG A 54 -1.188 -15.507 -5.250 1.00 0.00 N ATOM 0 H ARG A 54 -4.518 -8.202 -6.726 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.816 -10.783 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.465 -9.281 -5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.271 -10.487 -4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.661 -11.331 -6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.260 -11.053 -5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.652 -12.511 -4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.470 -13.092 -5.533 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.683 -13.206 -6.100 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.992 -14.676 -3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.068 -16.173 -3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.486 -15.143 -5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.077 -16.438 -4.848 1.00 0.00 H new ATOM 869 N THR A 55 -7.015 -10.171 -4.036 1.00 0.00 N ATOM 870 CA THR A 55 -7.973 -9.759 -3.024 1.00 0.00 C ATOM 871 C THR A 55 -7.322 -9.765 -1.640 1.00 0.00 C ATOM 872 O THR A 55 -6.439 -10.577 -1.370 1.00 0.00 O ATOM 873 CB THR A 55 -9.193 -10.676 -3.127 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.730 -11.927 -2.626 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.580 -10.976 -4.576 1.00 0.00 C ATOM 0 H THR A 55 -6.882 -11.179 -4.112 1.00 0.00 H new ATOM 0 HA THR A 55 -8.305 -8.734 -3.187 1.00 0.00 H new ATOM 0 HB THR A 55 -10.037 -10.215 -2.614 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.459 -12.581 -2.655 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.451 -11.631 -4.592 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.817 -10.044 -5.090 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.748 -11.467 -5.081 1.00 0.00 H new ATOM 883 N LEU A 56 -7.785 -8.852 -0.799 1.00 0.00 N ATOM 884 CA LEU A 56 -7.259 -8.742 0.551 1.00 0.00 C ATOM 885 C LEU A 56 -7.428 -10.084 1.269 1.00 0.00 C ATOM 886 O LEU A 56 -6.613 -10.443 2.118 1.00 0.00 O ATOM 887 CB LEU A 56 -7.906 -7.566 1.284 1.00 0.00 C ATOM 888 CG LEU A 56 -7.871 -6.220 0.557 1.00 0.00 C ATOM 889 CD1 LEU A 56 -9.209 -5.490 0.690 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.699 -5.366 1.042 1.00 0.00 C ATOM 0 H LEU A 56 -8.519 -8.181 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.191 -8.524 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.946 -7.819 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.412 -7.448 2.248 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.713 -6.408 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.157 -4.536 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.001 -6.101 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.423 -5.312 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.697 -4.415 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.800 -5.183 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.763 -5.891 0.851 1.00 0.00 H new ATOM 902 N SER A 57 -8.491 -10.785 0.903 1.00 0.00 N ATOM 903 CA SER A 57 -8.776 -12.077 1.503 1.00 0.00 C ATOM 904 C SER A 57 -7.655 -13.065 1.177 1.00 0.00 C ATOM 905 O SER A 57 -7.228 -13.832 2.038 1.00 0.00 O ATOM 906 CB SER A 57 -10.122 -12.623 1.019 1.00 0.00 C ATOM 907 OG SER A 57 -10.409 -13.904 1.575 1.00 0.00 O ATOM 0 H SER A 57 -9.165 -10.483 0.199 1.00 0.00 H new ATOM 0 HA SER A 57 -8.833 -11.947 2.584 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.915 -11.925 1.288 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.115 -12.693 -0.069 1.00 0.00 H new ATOM 0 HG SER A 57 -11.276 -14.218 1.244 1.00 0.00 H new ATOM 913 N ASP A 58 -7.209 -13.014 -0.070 1.00 0.00 N ATOM 914 CA ASP A 58 -6.144 -13.895 -0.521 1.00 0.00 C ATOM 915 C ASP A 58 -4.865 -13.582 0.258 1.00 0.00 C ATOM 916 O ASP A 58 -3.945 -14.397 0.301 1.00 0.00 O ATOM 917 CB ASP A 58 -5.854 -13.690 -2.008 1.00 0.00 C ATOM 918 CG ASP A 58 -6.110 -14.914 -2.891 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.061 -16.033 -2.338 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.351 -14.701 -4.099 1.00 0.00 O ATOM 0 H ASP A 58 -7.565 -12.377 -0.782 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.463 -14.924 -0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.465 -12.864 -2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.812 -13.390 -2.122 1.00 0.00 H new ATOM 925 N TYR A 59 -4.849 -12.399 0.855 1.00 0.00 N ATOM 926 CA TYR A 59 -3.698 -11.968 1.630 1.00 0.00 C ATOM 927 C TYR A 59 -3.923 -12.205 3.126 1.00 0.00 C ATOM 928 O TYR A 59 -2.997 -12.078 3.925 1.00 0.00 O ATOM 929 CB TYR A 59 -3.559 -10.466 1.380 1.00 0.00 C ATOM 930 CG TYR A 59 -2.911 -10.116 0.039 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.654 -10.596 -0.267 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.585 -9.319 -0.865 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.045 -10.266 -1.529 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.975 -8.990 -2.128 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.735 -9.479 -2.397 1.00 0.00 C ATOM 936 OH TYR A 59 -1.160 -9.168 -3.589 1.00 0.00 O ATOM 0 H TYR A 59 -5.615 -11.726 0.818 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.808 -12.525 1.336 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.547 -10.008 1.425 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.967 -10.028 2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.127 -11.219 0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.569 -8.943 -0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.062 -10.635 -1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.491 -8.369 -2.845 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.401 -9.845 -4.255 1.00 0.00 H new ATOM 946 N ASN A 60 -5.160 -12.547 3.458 1.00 0.00 N ATOM 947 CA ASN A 60 -5.519 -12.803 4.842 1.00 0.00 C ATOM 948 C ASN A 60 -5.154 -11.585 5.693 1.00 0.00 C ATOM 949 O ASN A 60 -4.356 -11.690 6.623 1.00 0.00 O ATOM 950 CB ASN A 60 -4.759 -14.010 5.394 1.00 0.00 C ATOM 951 CG ASN A 60 -5.285 -14.405 6.776 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.742 -13.582 7.552 1.00 0.00 O ATOM 953 ND2 ASN A 60 -5.193 -15.705 7.038 1.00 0.00 N ATOM 0 H ASN A 60 -5.925 -12.653 2.792 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.590 -13.003 4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.859 -14.852 4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.696 -13.776 5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.516 -16.069 7.935 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.800 -16.339 6.342 1.00 0.00 H new ATOM 960 N ILE A 61 -5.755 -10.457 5.343 1.00 0.00 N ATOM 961 CA ILE A 61 -5.503 -9.221 6.064 1.00 0.00 C ATOM 962 C ILE A 61 -6.367 -9.185 7.325 1.00 0.00 C ATOM 963 O ILE A 61 -7.515 -9.627 7.310 1.00 0.00 O ATOM 964 CB ILE A 61 -5.707 -8.014 5.145 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.437 -7.711 4.347 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.191 -6.798 5.936 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.671 -7.905 2.848 1.00 0.00 C ATOM 0 H ILE A 61 -6.415 -10.373 4.570 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.463 -9.175 6.388 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.488 -8.261 4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.118 -6.686 4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.630 -8.364 4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.328 -5.955 5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.139 -7.033 6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.451 -6.539 6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.753 -7.683 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.966 -8.937 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.462 -7.234 2.513 1.00 0.00 H new ATOM 979 N GLN A 62 -5.782 -8.655 8.390 1.00 0.00 N ATOM 980 CA GLN A 62 -6.484 -8.556 9.658 1.00 0.00 C ATOM 981 C GLN A 62 -7.115 -7.170 9.809 1.00 0.00 C ATOM 982 O GLN A 62 -6.632 -6.199 9.230 1.00 0.00 O ATOM 983 CB GLN A 62 -5.547 -8.864 10.829 1.00 0.00 C ATOM 984 CG GLN A 62 -4.564 -9.979 10.466 1.00 0.00 C ATOM 985 CD GLN A 62 -4.534 -11.058 11.551 1.00 0.00 C ATOM 986 OE1 GLN A 62 -5.516 -11.731 11.820 1.00 0.00 O ATOM 987 NE2 GLN A 62 -3.358 -11.184 12.156 1.00 0.00 N ATOM 0 H GLN A 62 -4.830 -8.290 8.400 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.281 -9.299 9.669 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.997 -7.965 11.105 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.132 -9.160 11.700 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.849 -10.424 9.513 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.566 -9.561 10.336 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.577 -10.588 11.882 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.236 -11.877 12.895 1.00 0.00 H new ATOM 996 N LYS A 63 -8.183 -7.123 10.591 1.00 0.00 N ATOM 997 CA LYS A 63 -8.884 -5.872 10.825 1.00 0.00 C ATOM 998 C LYS A 63 -7.877 -4.798 11.242 1.00 0.00 C ATOM 999 O LYS A 63 -7.065 -5.018 12.139 1.00 0.00 O ATOM 1000 CB LYS A 63 -10.018 -6.075 11.833 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.529 -6.840 13.064 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.387 -8.082 13.314 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.918 -8.828 14.565 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.869 -9.908 14.910 1.00 0.00 N ATOM 0 H LYS A 63 -8.580 -7.931 11.071 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.360 -5.525 9.908 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.416 -5.107 12.137 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.834 -6.622 11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.489 -7.134 12.924 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.562 -6.189 13.938 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.431 -7.790 13.430 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.335 -8.744 12.450 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.927 -9.248 14.395 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.830 -8.132 15.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.536 -10.405 15.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.808 -9.499 15.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.932 -10.581 14.119 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.963 -3.659 10.570 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.069 -2.551 10.859 1.00 0.00 C ATOM 1020 C GLU A 64 -5.612 -3.005 10.759 1.00 0.00 C ATOM 1021 O GLU A 64 -4.833 -2.812 11.690 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.364 -1.952 12.235 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.767 -1.342 12.279 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.752 -2.279 12.977 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.690 -2.341 14.225 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.546 -2.914 12.250 1.00 0.00 O ATOM 0 H GLU A 64 -8.638 -3.480 9.827 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.238 -1.771 10.117 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.276 -2.725 12.998 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.624 -1.187 12.469 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.735 -0.387 12.803 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.110 -1.138 11.265 1.00 0.00 H new ATOM 1033 N SER A 65 -5.287 -3.598 9.619 1.00 0.00 N ATOM 1034 CA SER A 65 -3.936 -4.081 9.385 1.00 0.00 C ATOM 1035 C SER A 65 -2.989 -2.899 9.168 1.00 0.00 C ATOM 1036 O SER A 65 -3.432 -1.759 9.040 1.00 0.00 O ATOM 1037 CB SER A 65 -3.889 -5.027 8.184 1.00 0.00 C ATOM 1038 OG SER A 65 -4.104 -6.383 8.563 1.00 0.00 O ATOM 0 H SER A 65 -5.936 -3.755 8.848 1.00 0.00 H new ATOM 0 HA SER A 65 -3.615 -4.639 10.264 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.646 -4.729 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.921 -4.938 7.690 1.00 0.00 H new ATOM 0 HG SER A 65 -4.914 -6.445 9.111 1.00 0.00 H new ATOM 1044 N THR A 66 -1.702 -3.212 9.132 1.00 0.00 N ATOM 1045 CA THR A 66 -0.688 -2.191 8.933 1.00 0.00 C ATOM 1046 C THR A 66 -0.092 -2.299 7.528 1.00 0.00 C ATOM 1047 O THR A 66 0.708 -3.193 7.256 1.00 0.00 O ATOM 1048 CB THR A 66 0.351 -2.332 10.047 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.274 -1.740 11.183 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.588 -1.463 9.807 1.00 0.00 C ATOM 0 H THR A 66 -1.338 -4.159 9.237 1.00 0.00 H new ATOM 0 HA THR A 66 -1.116 -1.191 8.994 1.00 0.00 H new ATOM 0 HB THR A 66 0.652 -3.376 10.132 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.331 -1.790 11.952 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.294 -1.600 10.626 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.060 -1.754 8.869 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.292 -0.415 9.755 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.504 -1.375 6.672 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.020 -1.355 5.302 1.00 0.00 C ATOM 1060 C LEU A 67 0.918 -0.161 5.114 1.00 0.00 C ATOM 1061 O LEU A 67 0.720 0.890 5.723 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.193 -1.376 4.320 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.107 -2.601 4.393 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.112 -2.467 5.538 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.798 -2.849 3.051 1.00 0.00 C ATOM 0 H LEU A 67 -1.168 -0.635 6.901 1.00 0.00 H new ATOM 0 HA LEU A 67 0.560 -2.253 5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.798 -0.485 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.795 -1.304 3.308 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.491 -3.475 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.749 -3.351 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.577 -2.374 6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.727 -1.581 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.442 -3.725 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.399 -1.980 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.046 -3.019 2.281 1.00 0.00 H new ATOM 1077 N HIS A 68 1.918 -0.362 4.270 1.00 0.00 N ATOM 1078 CA HIS A 68 2.888 0.684 3.994 1.00 0.00 C ATOM 1079 C HIS A 68 2.650 1.248 2.593 1.00 0.00 C ATOM 1080 O HIS A 68 2.815 0.542 1.600 1.00 0.00 O ATOM 1081 CB HIS A 68 4.315 0.168 4.192 1.00 0.00 C ATOM 1082 CG HIS A 68 5.312 1.243 4.556 1.00 0.00 C ATOM 1083 ND1 HIS A 68 6.679 1.075 4.422 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.125 2.501 5.052 1.00 0.00 C ATOM 1085 CE1 HIS A 68 7.278 2.187 4.821 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.313 3.069 5.212 1.00 0.00 N ATOM 0 H HIS A 68 2.078 -1.235 3.767 1.00 0.00 H new ATOM 0 HA HIS A 68 2.758 1.502 4.703 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.311 -0.590 4.975 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.643 -0.323 3.276 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.172 2.956 5.276 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.343 2.364 4.834 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.478 4.010 5.569 1.00 0.00 H new ATOM 1094 N LEU A 69 2.264 2.515 2.558 1.00 0.00 N ATOM 1095 CA LEU A 69 2.001 3.183 1.294 1.00 0.00 C ATOM 1096 C LEU A 69 3.256 3.937 0.850 1.00 0.00 C ATOM 1097 O LEU A 69 3.570 4.998 1.387 1.00 0.00 O ATOM 1098 CB LEU A 69 0.758 4.069 1.404 1.00 0.00 C ATOM 1099 CG LEU A 69 0.678 5.237 0.420 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.467 4.736 -1.010 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.400 6.236 0.843 1.00 0.00 C ATOM 0 H LEU A 69 2.127 3.097 3.384 1.00 0.00 H new ATOM 0 HA LEU A 69 1.775 2.453 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.123 3.443 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.710 4.469 2.417 1.00 0.00 H new ATOM 0 HG LEU A 69 1.631 5.765 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.414 5.587 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.300 4.094 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.463 4.170 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.437 7.057 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.368 5.736 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.165 6.628 1.832 1.00 0.00 H new ATOM 1113 N VAL A 70 3.940 3.359 -0.127 1.00 0.00 N ATOM 1114 CA VAL A 70 5.154 3.964 -0.650 1.00 0.00 C ATOM 1115 C VAL A 70 4.923 4.386 -2.103 1.00 0.00 C ATOM 1116 O VAL A 70 3.964 3.947 -2.736 1.00 0.00 O ATOM 1117 CB VAL A 70 6.330 3.000 -0.487 1.00 0.00 C ATOM 1118 CG1 VAL A 70 6.238 1.848 -1.490 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.665 3.737 -0.619 1.00 0.00 C ATOM 0 H VAL A 70 3.677 2.479 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 70 5.407 4.862 -0.087 1.00 0.00 H new ATOM 0 HB VAL A 70 6.279 2.576 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.086 1.177 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.311 1.298 -1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.251 2.247 -2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.485 3.029 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.728 4.202 -1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.734 4.506 0.151 1.00 0.00 H new ATOM 1129 N LEU A 71 5.818 5.233 -2.588 1.00 0.00 N ATOM 1130 CA LEU A 71 5.724 5.719 -3.955 1.00 0.00 C ATOM 1131 C LEU A 71 6.431 4.737 -4.890 1.00 0.00 C ATOM 1132 O LEU A 71 6.843 3.657 -4.467 1.00 0.00 O ATOM 1133 CB LEU A 71 6.257 7.151 -4.052 1.00 0.00 C ATOM 1134 CG LEU A 71 5.200 8.253 -4.149 1.00 0.00 C ATOM 1135 CD1 LEU A 71 4.791 8.745 -2.760 1.00 0.00 C ATOM 1136 CD2 LEU A 71 5.683 9.397 -5.043 1.00 0.00 C ATOM 0 H LEU A 71 6.612 5.596 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 71 4.682 5.768 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.879 7.347 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.905 7.218 -4.926 1.00 0.00 H new ATOM 0 HG LEU A 71 4.309 7.832 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.039 9.528 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.378 7.915 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.664 9.144 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.914 10.167 -5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.596 9.823 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.884 9.016 -6.044 1.00 0.00 H new ATOM 1148 N ARG A 72 6.549 5.145 -6.146 1.00 0.00 N ATOM 1149 CA ARG A 72 7.198 4.313 -7.144 1.00 0.00 C ATOM 1150 C ARG A 72 8.690 4.644 -7.223 1.00 0.00 C ATOM 1151 O ARG A 72 9.094 5.773 -6.948 1.00 0.00 O ATOM 1152 CB ARG A 72 6.565 4.514 -8.523 1.00 0.00 C ATOM 1153 CG ARG A 72 6.524 5.997 -8.897 1.00 0.00 C ATOM 1154 CD ARG A 72 6.253 6.178 -10.392 1.00 0.00 C ATOM 1155 NE ARG A 72 4.832 6.531 -10.610 1.00 0.00 N ATOM 1156 CZ ARG A 72 4.307 6.829 -11.806 1.00 0.00 C ATOM 1157 NH1 ARG A 72 5.083 6.820 -12.899 1.00 0.00 N ATOM 1158 NH2 ARG A 72 3.007 7.137 -11.910 1.00 0.00 N ATOM 0 H ARG A 72 6.206 6.040 -6.494 1.00 0.00 H new ATOM 0 HA ARG A 72 7.069 3.273 -6.844 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.133 3.962 -9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.554 4.107 -8.526 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.748 6.500 -8.320 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.472 6.468 -8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.896 6.960 -10.794 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.494 5.260 -10.928 1.00 0.00 H new ATOM 0 HE ARG A 72 4.214 6.548 -9.799 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.073 6.586 -12.820 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.684 7.047 -13.810 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.417 7.145 -11.078 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.608 7.364 -12.821 1.00 0.00 H new ATOM 1172 N LEU A 73 9.467 3.640 -7.600 1.00 0.00 N ATOM 1173 CA LEU A 73 10.905 3.810 -7.717 1.00 0.00 C ATOM 1174 C LEU A 73 11.226 4.499 -9.045 1.00 0.00 C ATOM 1175 O LEU A 73 11.890 5.534 -9.067 1.00 0.00 O ATOM 1176 CB LEU A 73 11.621 2.470 -7.531 1.00 0.00 C ATOM 1177 CG LEU A 73 12.943 2.305 -8.282 1.00 0.00 C ATOM 1178 CD1 LEU A 73 13.983 3.313 -7.789 1.00 0.00 C ATOM 1179 CD2 LEU A 73 13.451 0.866 -8.189 1.00 0.00 C ATOM 0 H LEU A 73 9.128 2.706 -7.829 1.00 0.00 H new ATOM 0 HA LEU A 73 11.278 4.457 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.810 2.327 -6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.946 1.674 -7.845 1.00 0.00 H new ATOM 0 HG LEU A 73 12.765 2.515 -9.337 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.914 3.174 -8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.613 4.326 -7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.164 3.158 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.392 0.777 -8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.609 0.603 -7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.715 0.191 -8.626 1.00 0.00 H new ATOM 1191 N ARG A 74 10.740 3.895 -10.120 1.00 0.00 N ATOM 1192 CA ARG A 74 10.967 4.438 -11.450 1.00 0.00 C ATOM 1193 C ARG A 74 9.833 5.390 -11.835 1.00 0.00 C ATOM 1194 O ARG A 74 8.699 4.960 -12.040 1.00 0.00 O ATOM 1195 CB ARG A 74 11.062 3.321 -12.491 1.00 0.00 C ATOM 1196 CG ARG A 74 9.997 2.250 -12.245 1.00 0.00 C ATOM 1197 CD ARG A 74 9.493 1.665 -13.566 1.00 0.00 C ATOM 1198 NE ARG A 74 8.446 0.653 -13.304 1.00 0.00 N ATOM 1199 CZ ARG A 74 7.209 0.943 -12.878 1.00 0.00 C ATOM 1200 NH1 ARG A 74 6.858 2.218 -12.662 1.00 0.00 N ATOM 1201 NH2 ARG A 74 6.325 -0.041 -12.667 1.00 0.00 N ATOM 0 H ARG A 74 10.191 3.036 -10.098 1.00 0.00 H new ATOM 0 HA ARG A 74 11.911 4.982 -11.430 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.939 3.739 -13.490 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.053 2.869 -12.455 1.00 0.00 H new ATOM 0 HG2 ARG A 74 10.412 1.455 -11.626 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.163 2.682 -11.692 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.093 2.459 -14.196 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.320 1.211 -14.112 1.00 0.00 H new ATOM 0 HE ARG A 74 8.681 -0.328 -13.457 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.532 2.967 -12.822 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.917 2.440 -12.338 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.593 -1.011 -12.831 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.384 0.180 -12.343 1.00 0.00 H new ATOM 1215 N GLY A 75 10.179 6.666 -11.921 1.00 0.00 N ATOM 1216 CA GLY A 75 9.204 7.683 -12.278 1.00 0.00 C ATOM 1217 C GLY A 75 9.248 8.854 -11.295 1.00 0.00 C ATOM 1218 O GLY A 75 9.309 8.650 -10.083 1.00 0.00 O ATOM 0 H GLY A 75 11.121 7.019 -11.750 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.402 8.043 -13.287 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.205 7.247 -12.286 1.00 0.00 H new ATOM 1222 N GLY A 76 9.216 10.055 -11.853 1.00 0.00 N ATOM 1223 CA GLY A 76 9.252 11.259 -11.040 1.00 0.00 C ATOM 1224 C GLY A 76 8.809 12.480 -11.849 1.00 0.00 C ATOM 1225 O GLY A 76 7.763 12.454 -12.495 1.00 0.00 O ATOM 0 H GLY A 76 9.166 10.220 -12.858 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.602 11.137 -10.174 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.262 11.416 -10.661 1.00 0.00 H new TER 1229 GLY A 76