USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 8 HIS : no HD1:sc= -0.0919 X(o=-0.092,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.635 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.24 USER MOD Single : A 50 ASN : amide:sc= -1.31! C(o=-1.3!,f=-4.3!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.5!) USER MOD Single : A 60 CYS SG : rot 120:sc= -1.35 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -110:sc= -3.35! USER MOD Single : A 75 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.36) USER MOD Single : A 77 THR OG1 : rot -73:sc= 1.11 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -1.25! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 -8.630 17.769 3.034 1.00 0.00 N ATOM 2 CA HIS A 8 -8.929 18.987 2.228 1.00 0.00 C ATOM 3 C HIS A 8 -7.633 19.752 1.957 1.00 0.00 C ATOM 4 O HIS A 8 -7.313 20.070 0.829 1.00 0.00 O ATOM 5 CB HIS A 8 -9.898 19.883 3.002 1.00 0.00 C ATOM 6 CG HIS A 8 -11.313 19.469 2.704 1.00 0.00 C ATOM 7 ND1 HIS A 8 -12.212 19.140 3.705 1.00 0.00 N ATOM 8 CD2 HIS A 8 -11.998 19.326 1.523 1.00 0.00 C ATOM 9 CE1 HIS A 8 -13.377 18.818 3.113 1.00 0.00 C ATOM 10 NE2 HIS A 8 -13.302 18.915 1.784 1.00 0.00 N ATOM 0 HA HIS A 8 -9.381 18.694 1.280 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -9.704 19.808 4.072 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -9.747 20.926 2.723 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -11.587 19.505 0.540 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -14.265 18.517 3.649 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -14.041 18.728 1.106 1.00 0.00 H new ATOM 20 N MET A 9 -6.884 20.052 2.983 1.00 0.00 N ATOM 21 CA MET A 9 -5.609 20.797 2.783 1.00 0.00 C ATOM 22 C MET A 9 -4.481 19.807 2.488 1.00 0.00 C ATOM 23 O MET A 9 -3.571 20.095 1.736 1.00 0.00 O ATOM 24 CB MET A 9 -5.276 21.588 4.049 1.00 0.00 C ATOM 25 CG MET A 9 -6.505 22.383 4.493 1.00 0.00 C ATOM 26 SD MET A 9 -5.996 24.044 5.004 1.00 0.00 S ATOM 27 CE MET A 9 -6.160 24.839 3.387 1.00 0.00 C ATOM 0 H MET A 9 -7.100 19.813 3.951 1.00 0.00 H new ATOM 0 HA MET A 9 -5.718 21.484 1.944 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.963 20.909 4.842 1.00 0.00 H new ATOM 0 HB3 MET A 9 -4.442 22.264 3.859 1.00 0.00 H new ATOM 0 HG2 MET A 9 -7.225 22.446 3.677 1.00 0.00 H new ATOM 0 HG3 MET A 9 -7.003 21.873 5.318 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.890 25.892 3.470 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.498 24.350 2.672 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.191 24.755 3.043 1.00 0.00 H new ATOM 37 N VAL A 10 -4.533 18.642 3.073 1.00 0.00 N ATOM 38 CA VAL A 10 -3.464 17.635 2.826 1.00 0.00 C ATOM 39 C VAL A 10 -2.124 18.181 3.325 1.00 0.00 C ATOM 40 O VAL A 10 -1.846 19.359 3.219 1.00 0.00 O ATOM 41 CB VAL A 10 -3.372 17.345 1.327 1.00 0.00 C ATOM 42 CG1 VAL A 10 -2.300 16.283 1.075 1.00 0.00 C ATOM 43 CG2 VAL A 10 -4.724 16.834 0.824 1.00 0.00 C ATOM 0 H VAL A 10 -5.270 18.344 3.712 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.702 16.714 3.359 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.107 18.259 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.236 16.077 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.337 16.646 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.563 15.368 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.660 16.627 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.988 15.920 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.488 17.591 1.002 1.00 0.00 H new ATOM 53 N GLU A 11 -1.293 17.335 3.869 1.00 0.00 N ATOM 54 CA GLU A 11 0.027 17.808 4.374 1.00 0.00 C ATOM 55 C GLU A 11 -0.181 18.644 5.637 1.00 0.00 C ATOM 56 O GLU A 11 -0.325 19.850 5.580 1.00 0.00 O ATOM 57 CB GLU A 11 0.706 18.664 3.302 1.00 0.00 C ATOM 58 CG GLU A 11 2.221 18.466 3.375 1.00 0.00 C ATOM 59 CD GLU A 11 2.762 18.144 1.980 1.00 0.00 C ATOM 60 OE1 GLU A 11 2.934 19.070 1.206 1.00 0.00 O ATOM 61 OE2 GLU A 11 2.994 16.977 1.712 1.00 0.00 O ATOM 0 H GLU A 11 -1.471 16.337 3.986 1.00 0.00 H new ATOM 0 HA GLU A 11 0.657 16.949 4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.339 18.386 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.458 19.715 3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.698 19.366 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.460 17.657 4.065 1.00 0.00 H new ATOM 68 N GLU A 12 -0.199 18.014 6.780 1.00 0.00 N ATOM 69 CA GLU A 12 -0.397 18.773 8.047 1.00 0.00 C ATOM 70 C GLU A 12 0.305 18.042 9.193 1.00 0.00 C ATOM 71 O GLU A 12 -0.306 17.295 9.933 1.00 0.00 O ATOM 72 CB GLU A 12 -1.894 18.875 8.348 1.00 0.00 C ATOM 73 CG GLU A 12 -2.172 20.162 9.127 1.00 0.00 C ATOM 74 CD GLU A 12 -3.601 20.630 8.849 1.00 0.00 C ATOM 75 OE1 GLU A 12 -4.301 19.936 8.129 1.00 0.00 O ATOM 76 OE2 GLU A 12 -3.972 21.674 9.358 1.00 0.00 O ATOM 0 H GLU A 12 -0.085 17.006 6.891 1.00 0.00 H new ATOM 0 HA GLU A 12 0.023 19.773 7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.464 18.870 7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.219 18.010 8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.036 19.990 10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.462 20.936 8.836 1.00 0.00 H new ATOM 83 N VAL A 13 1.583 18.250 9.346 1.00 0.00 N ATOM 84 CA VAL A 13 2.324 17.566 10.444 1.00 0.00 C ATOM 85 C VAL A 13 3.057 18.607 11.292 1.00 0.00 C ATOM 86 O VAL A 13 3.354 19.694 10.837 1.00 0.00 O ATOM 87 CB VAL A 13 3.340 16.592 9.844 1.00 0.00 C ATOM 88 CG1 VAL A 13 4.255 16.063 10.949 1.00 0.00 C ATOM 89 CG2 VAL A 13 2.598 15.422 9.193 1.00 0.00 C ATOM 0 H VAL A 13 2.147 18.864 8.758 1.00 0.00 H new ATOM 0 HA VAL A 13 1.620 17.018 11.070 1.00 0.00 H new ATOM 0 HB VAL A 13 3.939 17.108 9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.979 15.369 10.521 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.782 16.896 11.415 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.657 15.546 11.700 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.320 14.727 8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.000 14.907 9.945 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.945 15.798 8.405 1.00 0.00 H new ATOM 99 N LEU A 14 3.350 18.285 12.522 1.00 0.00 N ATOM 100 CA LEU A 14 4.063 19.257 13.398 1.00 0.00 C ATOM 101 C LEU A 14 4.646 18.522 14.606 1.00 0.00 C ATOM 102 O LEU A 14 4.781 19.077 15.678 1.00 0.00 O ATOM 103 CB LEU A 14 3.081 20.328 13.876 1.00 0.00 C ATOM 104 CG LEU A 14 3.841 21.621 14.173 1.00 0.00 C ATOM 105 CD1 LEU A 14 3.941 22.458 12.896 1.00 0.00 C ATOM 106 CD2 LEU A 14 3.093 22.416 15.245 1.00 0.00 C ATOM 0 H LEU A 14 3.126 17.391 12.958 1.00 0.00 H new ATOM 0 HA LEU A 14 4.869 19.729 12.837 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.322 20.507 13.114 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.560 19.986 14.771 1.00 0.00 H new ATOM 0 HG LEU A 14 4.842 21.381 14.530 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.483 23.380 13.107 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.472 21.892 12.131 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.940 22.699 12.540 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.634 23.338 15.458 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.092 22.657 14.887 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.020 21.820 16.155 1.00 0.00 H new ATOM 118 N GLU A 15 4.994 17.275 14.442 1.00 0.00 N ATOM 119 CA GLU A 15 5.568 16.504 15.582 1.00 0.00 C ATOM 120 C GLU A 15 6.663 15.570 15.064 1.00 0.00 C ATOM 121 O GLU A 15 6.391 14.580 14.414 1.00 0.00 O ATOM 122 CB GLU A 15 4.465 15.679 16.247 1.00 0.00 C ATOM 123 CG GLU A 15 3.840 16.486 17.386 1.00 0.00 C ATOM 124 CD GLU A 15 4.836 16.595 18.542 1.00 0.00 C ATOM 125 OE1 GLU A 15 5.679 17.475 18.489 1.00 0.00 O ATOM 126 OE2 GLU A 15 4.740 15.797 19.459 1.00 0.00 O ATOM 0 H GLU A 15 4.906 16.756 13.568 1.00 0.00 H new ATOM 0 HA GLU A 15 5.993 17.194 16.311 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.703 15.414 15.514 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.876 14.746 16.631 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.566 17.480 17.033 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.923 16.005 17.726 1.00 0.00 H new ATOM 133 N GLU A 16 7.899 15.875 15.346 1.00 0.00 N ATOM 134 CA GLU A 16 9.010 15.003 14.869 1.00 0.00 C ATOM 135 C GLU A 16 9.856 14.555 16.062 1.00 0.00 C ATOM 136 O GLU A 16 9.984 15.258 17.045 1.00 0.00 O ATOM 137 CB GLU A 16 9.884 15.783 13.886 1.00 0.00 C ATOM 138 CG GLU A 16 9.053 16.181 12.666 1.00 0.00 C ATOM 139 CD GLU A 16 9.582 15.456 11.428 1.00 0.00 C ATOM 140 OE1 GLU A 16 9.703 14.243 11.483 1.00 0.00 O ATOM 141 OE2 GLU A 16 9.857 16.125 10.446 1.00 0.00 O ATOM 0 H GLU A 16 8.188 16.690 15.886 1.00 0.00 H new ATOM 0 HA GLU A 16 8.596 14.127 14.370 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.288 16.672 14.369 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.734 15.174 13.577 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.005 15.928 12.828 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.101 17.260 12.517 1.00 0.00 H new ATOM 148 N GLU A 17 10.438 13.389 15.984 1.00 0.00 N ATOM 149 CA GLU A 17 11.277 12.897 17.114 1.00 0.00 C ATOM 150 C GLU A 17 12.656 12.497 16.586 1.00 0.00 C ATOM 151 O GLU A 17 13.631 13.197 16.778 1.00 0.00 O ATOM 152 CB GLU A 17 10.604 11.683 17.758 1.00 0.00 C ATOM 153 CG GLU A 17 9.455 12.150 18.653 1.00 0.00 C ATOM 154 CD GLU A 17 8.318 12.694 17.785 1.00 0.00 C ATOM 155 OE1 GLU A 17 8.146 12.191 16.686 1.00 0.00 O ATOM 156 OE2 GLU A 17 7.640 13.603 18.233 1.00 0.00 O ATOM 0 H GLU A 17 10.369 12.756 15.187 1.00 0.00 H new ATOM 0 HA GLU A 17 11.387 13.687 17.857 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.228 11.011 16.987 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.330 11.120 18.345 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.096 11.321 19.263 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.805 12.922 19.338 1.00 0.00 H new ATOM 163 N GLU A 18 12.747 11.377 15.924 1.00 0.00 N ATOM 164 CA GLU A 18 14.064 10.934 15.386 1.00 0.00 C ATOM 165 C GLU A 18 13.843 9.882 14.297 1.00 0.00 C ATOM 166 O GLU A 18 14.600 8.941 14.167 1.00 0.00 O ATOM 167 CB GLU A 18 14.899 10.329 16.517 1.00 0.00 C ATOM 168 CG GLU A 18 13.979 9.601 17.499 1.00 0.00 C ATOM 169 CD GLU A 18 14.793 9.123 18.703 1.00 0.00 C ATOM 170 OE1 GLU A 18 15.973 8.865 18.530 1.00 0.00 O ATOM 171 OE2 GLU A 18 14.222 9.022 19.776 1.00 0.00 O ATOM 0 H GLU A 18 11.966 10.749 15.732 1.00 0.00 H new ATOM 0 HA GLU A 18 14.590 11.790 14.963 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.634 9.636 16.109 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.452 11.113 17.034 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.181 10.267 17.827 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.504 8.752 17.008 1.00 0.00 H new ATOM 178 N GLU A 19 12.811 10.036 13.511 1.00 0.00 N ATOM 179 CA GLU A 19 12.543 9.045 12.432 1.00 0.00 C ATOM 180 C GLU A 19 12.655 9.733 11.070 1.00 0.00 C ATOM 181 O GLU A 19 13.376 9.291 10.197 1.00 0.00 O ATOM 182 CB GLU A 19 11.133 8.476 12.600 1.00 0.00 C ATOM 183 CG GLU A 19 11.212 7.113 13.291 1.00 0.00 C ATOM 184 CD GLU A 19 9.880 6.813 13.981 1.00 0.00 C ATOM 185 OE1 GLU A 19 8.895 6.652 13.279 1.00 0.00 O ATOM 186 OE2 GLU A 19 9.868 6.750 15.199 1.00 0.00 O ATOM 0 H GLU A 19 12.143 10.805 13.570 1.00 0.00 H new ATOM 0 HA GLU A 19 13.271 8.236 12.493 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.521 9.159 13.189 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.652 8.375 11.627 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.439 6.336 12.561 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.021 7.110 14.022 1.00 0.00 H new ATOM 193 N GLU A 20 11.945 10.811 10.879 1.00 0.00 N ATOM 194 CA GLU A 20 12.011 11.524 9.572 1.00 0.00 C ATOM 195 C GLU A 20 11.509 10.600 8.462 1.00 0.00 C ATOM 196 O GLU A 20 11.342 9.412 8.658 1.00 0.00 O ATOM 197 CB GLU A 20 13.457 11.929 9.284 1.00 0.00 C ATOM 198 CG GLU A 20 13.514 13.420 8.949 1.00 0.00 C ATOM 199 CD GLU A 20 13.810 13.598 7.458 1.00 0.00 C ATOM 200 OE1 GLU A 20 14.322 12.665 6.860 1.00 0.00 O ATOM 201 OE2 GLU A 20 13.521 14.664 6.940 1.00 0.00 O ATOM 0 H GLU A 20 11.323 11.229 11.571 1.00 0.00 H new ATOM 0 HA GLU A 20 11.386 12.416 9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 20 14.084 11.716 10.150 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.851 11.344 8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.567 13.897 9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.286 13.908 9.544 1.00 0.00 H new ATOM 208 N TYR A 21 11.267 11.134 7.296 1.00 0.00 N ATOM 209 CA TYR A 21 10.775 10.283 6.176 1.00 0.00 C ATOM 210 C TYR A 21 9.302 9.940 6.406 1.00 0.00 C ATOM 211 O TYR A 21 8.883 9.673 7.516 1.00 0.00 O ATOM 212 CB TYR A 21 11.596 8.994 6.117 1.00 0.00 C ATOM 213 CG TYR A 21 13.050 9.312 6.372 1.00 0.00 C ATOM 214 CD1 TYR A 21 13.751 10.145 5.492 1.00 0.00 C ATOM 215 CD2 TYR A 21 13.699 8.772 7.491 1.00 0.00 C ATOM 216 CE1 TYR A 21 15.100 10.440 5.730 1.00 0.00 C ATOM 217 CE2 TYR A 21 15.047 9.067 7.729 1.00 0.00 C ATOM 218 CZ TYR A 21 15.748 9.901 6.849 1.00 0.00 C ATOM 219 OH TYR A 21 17.076 10.190 7.082 1.00 0.00 O ATOM 0 H TYR A 21 11.389 12.121 7.071 1.00 0.00 H new ATOM 0 HA TYR A 21 10.880 10.823 5.235 1.00 0.00 H new ATOM 0 HB2 TYR A 21 11.232 8.284 6.860 1.00 0.00 H new ATOM 0 HB3 TYR A 21 11.482 8.521 5.141 1.00 0.00 H new ATOM 0 HD1 TYR A 21 13.252 10.561 4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 21 13.159 8.128 8.170 1.00 0.00 H new ATOM 0 HE1 TYR A 21 15.640 11.083 5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 21 15.546 8.651 8.592 1.00 0.00 H new ATOM 0 HH TYR A 21 17.371 9.737 7.900 1.00 0.00 H new ATOM 229 N VAL A 22 8.512 9.948 5.368 1.00 0.00 N ATOM 230 CA VAL A 22 7.066 9.624 5.531 1.00 0.00 C ATOM 231 C VAL A 22 6.619 8.712 4.385 1.00 0.00 C ATOM 232 O VAL A 22 7.425 8.208 3.630 1.00 0.00 O ATOM 233 CB VAL A 22 6.250 10.918 5.508 1.00 0.00 C ATOM 234 CG1 VAL A 22 4.961 10.726 6.311 1.00 0.00 C ATOM 235 CG2 VAL A 22 7.069 12.050 6.134 1.00 0.00 C ATOM 0 H VAL A 22 8.804 10.165 4.415 1.00 0.00 H new ATOM 0 HA VAL A 22 6.908 9.115 6.482 1.00 0.00 H new ATOM 0 HB VAL A 22 6.004 11.170 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.381 11.649 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.374 9.920 5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.209 10.472 7.342 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.488 12.972 6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.315 11.794 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.989 12.191 5.566 1.00 0.00 H new ATOM 245 N VAL A 23 5.338 8.496 4.249 1.00 0.00 N ATOM 246 CA VAL A 23 4.844 7.617 3.154 1.00 0.00 C ATOM 247 C VAL A 23 4.328 8.485 2.007 1.00 0.00 C ATOM 248 O VAL A 23 3.696 9.501 2.221 1.00 0.00 O ATOM 249 CB VAL A 23 3.709 6.735 3.679 1.00 0.00 C ATOM 250 CG1 VAL A 23 2.615 7.617 4.285 1.00 0.00 C ATOM 251 CG2 VAL A 23 3.124 5.919 2.525 1.00 0.00 C ATOM 0 H VAL A 23 4.614 8.891 4.849 1.00 0.00 H new ATOM 0 HA VAL A 23 5.657 6.984 2.797 1.00 0.00 H new ATOM 0 HB VAL A 23 4.096 6.061 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.807 6.989 4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.031 8.200 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.227 8.291 3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.315 5.290 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.737 6.594 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.903 5.291 2.092 1.00 0.00 H new ATOM 261 N GLU A 24 4.593 8.099 0.791 1.00 0.00 N ATOM 262 CA GLU A 24 4.116 8.911 -0.363 1.00 0.00 C ATOM 263 C GLU A 24 2.759 8.384 -0.836 1.00 0.00 C ATOM 264 O GLU A 24 1.902 9.139 -1.251 1.00 0.00 O ATOM 265 CB GLU A 24 5.127 8.817 -1.508 1.00 0.00 C ATOM 266 CG GLU A 24 5.246 10.179 -2.195 1.00 0.00 C ATOM 267 CD GLU A 24 4.049 10.389 -3.124 1.00 0.00 C ATOM 268 OE1 GLU A 24 3.228 9.492 -3.213 1.00 0.00 O ATOM 269 OE2 GLU A 24 3.974 11.445 -3.731 1.00 0.00 O ATOM 0 H GLU A 24 5.118 7.259 0.546 1.00 0.00 H new ATOM 0 HA GLU A 24 4.013 9.951 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.099 8.505 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.810 8.061 -2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.284 10.972 -1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.175 10.231 -2.763 1.00 0.00 H new ATOM 276 N LYS A 25 2.554 7.096 -0.778 1.00 0.00 N ATOM 277 CA LYS A 25 1.252 6.530 -1.226 1.00 0.00 C ATOM 278 C LYS A 25 1.398 5.023 -1.429 1.00 0.00 C ATOM 279 O LYS A 25 2.465 4.465 -1.267 1.00 0.00 O ATOM 280 CB LYS A 25 0.837 7.186 -2.544 1.00 0.00 C ATOM 281 CG LYS A 25 -0.425 8.022 -2.325 1.00 0.00 C ATOM 282 CD LYS A 25 -1.194 8.140 -3.642 1.00 0.00 C ATOM 283 CE LYS A 25 -1.475 9.614 -3.939 1.00 0.00 C ATOM 284 NZ LYS A 25 -2.873 9.944 -3.542 1.00 0.00 N ATOM 0 H LYS A 25 3.232 6.413 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 25 0.491 6.723 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.643 7.817 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.653 6.423 -3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.054 7.558 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.158 9.013 -1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.616 7.698 -4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.130 7.586 -3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.773 10.246 -3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.330 9.816 -5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.064 10.946 -3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.536 9.350 -4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.996 9.766 -2.525 1.00 0.00 H new ATOM 298 N VAL A 26 0.334 4.357 -1.784 1.00 0.00 N ATOM 299 CA VAL A 26 0.417 2.886 -1.999 1.00 0.00 C ATOM 300 C VAL A 26 0.165 2.571 -3.474 1.00 0.00 C ATOM 301 O VAL A 26 -0.663 3.185 -4.118 1.00 0.00 O ATOM 302 CB VAL A 26 -0.636 2.185 -1.139 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.596 0.683 -1.411 1.00 0.00 C ATOM 304 CG2 VAL A 26 -0.338 2.437 0.339 1.00 0.00 C ATOM 0 H VAL A 26 -0.588 4.767 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 26 1.409 2.533 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.623 2.576 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.346 0.182 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.806 0.498 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.392 0.295 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.088 1.937 0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.649 2.045 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.362 3.509 0.537 1.00 0.00 H new ATOM 314 N LEU A 27 0.876 1.620 -4.015 1.00 0.00 N ATOM 315 CA LEU A 27 0.680 1.267 -5.449 1.00 0.00 C ATOM 316 C LEU A 27 -0.012 -0.093 -5.554 1.00 0.00 C ATOM 317 O LEU A 27 -0.922 -0.275 -6.339 1.00 0.00 O ATOM 318 CB LEU A 27 2.040 1.200 -6.148 1.00 0.00 C ATOM 319 CG LEU A 27 2.355 2.555 -6.783 1.00 0.00 C ATOM 320 CD1 LEU A 27 3.216 3.380 -5.826 1.00 0.00 C ATOM 321 CD2 LEU A 27 3.117 2.338 -8.092 1.00 0.00 C ATOM 0 H LEU A 27 1.584 1.072 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 27 0.061 2.026 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.816 0.933 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.030 0.422 -6.912 1.00 0.00 H new ATOM 0 HG LEU A 27 1.425 3.086 -6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.440 4.346 -6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.676 3.534 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.146 2.849 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.342 3.303 -8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.047 1.807 -7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.505 1.749 -8.776 1.00 0.00 H new ATOM 333 N ASP A 28 0.412 -1.053 -4.776 1.00 0.00 N ATOM 334 CA ASP A 28 -0.229 -2.397 -4.845 1.00 0.00 C ATOM 335 C ASP A 28 0.072 -3.181 -3.566 1.00 0.00 C ATOM 336 O ASP A 28 0.893 -2.788 -2.761 1.00 0.00 O ATOM 337 CB ASP A 28 0.322 -3.161 -6.051 1.00 0.00 C ATOM 338 CG ASP A 28 -0.559 -2.892 -7.272 1.00 0.00 C ATOM 339 OD1 ASP A 28 -1.769 -2.888 -7.115 1.00 0.00 O ATOM 340 OD2 ASP A 28 -0.009 -2.695 -8.342 1.00 0.00 O ATOM 0 H ASP A 28 1.170 -0.965 -4.099 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.307 -2.277 -4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.347 -2.851 -6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.348 -4.229 -5.837 1.00 0.00 H new ATOM 345 N ARG A 29 -0.587 -4.292 -3.376 1.00 0.00 N ATOM 346 CA ARG A 29 -0.344 -5.109 -2.155 1.00 0.00 C ATOM 347 C ARG A 29 -0.438 -6.594 -2.514 1.00 0.00 C ATOM 348 O ARG A 29 -0.927 -6.957 -3.565 1.00 0.00 O ATOM 349 CB ARG A 29 -1.397 -4.772 -1.097 1.00 0.00 C ATOM 350 CG ARG A 29 -2.794 -4.881 -1.711 1.00 0.00 C ATOM 351 CD ARG A 29 -3.293 -6.322 -1.593 1.00 0.00 C ATOM 352 NE ARG A 29 -4.295 -6.410 -0.493 1.00 0.00 N ATOM 353 CZ ARG A 29 -5.528 -6.748 -0.760 1.00 0.00 C ATOM 354 NH1 ARG A 29 -6.144 -6.215 -1.779 1.00 0.00 N ATOM 355 NH2 ARG A 29 -6.143 -7.620 -0.008 1.00 0.00 N ATOM 0 H ARG A 29 -1.285 -4.669 -4.017 1.00 0.00 H new ATOM 0 HA ARG A 29 0.648 -4.890 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.307 -5.452 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.234 -3.764 -0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.480 -4.205 -1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.767 -4.579 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.741 -6.642 -2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.457 -6.993 -1.393 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.018 -6.206 0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.663 -5.535 -2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.107 -6.479 -1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.661 -8.037 0.788 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.106 -7.884 -0.216 1.00 0.00 H new ATOM 369 N ARG A 30 0.026 -7.457 -1.651 1.00 0.00 N ATOM 370 CA ARG A 30 -0.040 -8.916 -1.951 1.00 0.00 C ATOM 371 C ARG A 30 0.016 -9.712 -0.645 1.00 0.00 C ATOM 372 O ARG A 30 -0.133 -9.168 0.432 1.00 0.00 O ATOM 373 CB ARG A 30 1.145 -9.307 -2.836 1.00 0.00 C ATOM 374 CG ARG A 30 2.452 -8.905 -2.150 1.00 0.00 C ATOM 375 CD ARG A 30 3.608 -9.018 -3.145 1.00 0.00 C ATOM 376 NE ARG A 30 4.664 -9.906 -2.583 1.00 0.00 N ATOM 377 CZ ARG A 30 4.638 -11.188 -2.830 1.00 0.00 C ATOM 378 NH1 ARG A 30 3.621 -11.907 -2.442 1.00 0.00 N ATOM 379 NH2 ARG A 30 5.630 -11.748 -3.466 1.00 0.00 N ATOM 0 H ARG A 30 0.447 -7.216 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.973 -9.137 -2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.135 -10.381 -3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.065 -8.816 -3.806 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.379 -7.884 -1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.635 -9.548 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.248 -9.418 -4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.021 -8.031 -3.352 1.00 0.00 H new ATOM 0 HE ARG A 30 5.407 -9.513 -2.005 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.846 -11.468 -1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.601 -12.908 -2.635 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.424 -11.185 -3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.611 -12.749 -3.660 1.00 0.00 H new ATOM 393 N VAL A 31 0.228 -10.996 -0.732 1.00 0.00 N ATOM 394 CA VAL A 31 0.294 -11.828 0.503 1.00 0.00 C ATOM 395 C VAL A 31 1.186 -13.046 0.249 1.00 0.00 C ATOM 396 O VAL A 31 1.206 -13.598 -0.832 1.00 0.00 O ATOM 397 CB VAL A 31 -1.114 -12.298 0.877 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.022 -13.355 1.978 1.00 0.00 C ATOM 399 CG2 VAL A 31 -1.931 -11.106 1.383 1.00 0.00 C ATOM 0 H VAL A 31 0.359 -11.506 -1.606 1.00 0.00 H new ATOM 0 HA VAL A 31 0.709 -11.236 1.319 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.599 -12.727 0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.024 -13.690 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.439 -14.203 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.537 -12.926 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.934 -11.439 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.446 -10.678 2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.996 -10.351 0.600 1.00 0.00 H new ATOM 409 N VAL A 32 1.922 -13.469 1.239 1.00 0.00 N ATOM 410 CA VAL A 32 2.812 -14.650 1.054 1.00 0.00 C ATOM 411 C VAL A 32 2.228 -15.851 1.802 1.00 0.00 C ATOM 412 O VAL A 32 2.916 -16.527 2.541 1.00 0.00 O ATOM 413 CB VAL A 32 4.203 -14.333 1.605 1.00 0.00 C ATOM 414 CG1 VAL A 32 5.171 -15.456 1.228 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.697 -13.013 1.009 1.00 0.00 C ATOM 0 H VAL A 32 1.946 -13.048 2.168 1.00 0.00 H new ATOM 0 HA VAL A 32 2.887 -14.885 -0.008 1.00 0.00 H new ATOM 0 HB VAL A 32 4.153 -14.247 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.162 -15.229 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.819 -16.397 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.222 -15.543 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.688 -12.785 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.747 -13.100 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.008 -12.212 1.278 1.00 0.00 H new ATOM 425 N LYS A 33 0.966 -16.121 1.617 1.00 0.00 N ATOM 426 CA LYS A 33 0.340 -17.277 2.319 1.00 0.00 C ATOM 427 C LYS A 33 0.749 -17.259 3.793 1.00 0.00 C ATOM 428 O LYS A 33 1.234 -18.238 4.325 1.00 0.00 O ATOM 429 CB LYS A 33 0.814 -18.581 1.673 1.00 0.00 C ATOM 430 CG LYS A 33 0.355 -18.625 0.214 1.00 0.00 C ATOM 431 CD LYS A 33 0.844 -19.921 -0.436 1.00 0.00 C ATOM 432 CE LYS A 33 -0.062 -21.078 -0.012 1.00 0.00 C ATOM 433 NZ LYS A 33 0.700 -22.011 0.864 1.00 0.00 N ATOM 0 H LYS A 33 0.340 -15.591 1.010 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.745 -17.207 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.900 -18.651 1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.413 -19.436 2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.732 -18.567 0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.746 -17.764 -0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.839 -19.820 -1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.873 -20.123 -0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.934 -20.695 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.430 -21.607 -0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.084 -22.798 1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.519 -22.385 0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.030 -21.502 1.709 1.00 0.00 H new ATOM 447 N GLY A 34 0.557 -16.151 4.456 1.00 0.00 N ATOM 448 CA GLY A 34 0.935 -16.069 5.895 1.00 0.00 C ATOM 449 C GLY A 34 0.861 -14.613 6.358 1.00 0.00 C ATOM 450 O GLY A 34 0.291 -14.307 7.386 1.00 0.00 O ATOM 0 H GLY A 34 0.155 -15.300 4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.266 -16.687 6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.943 -16.457 6.040 1.00 0.00 H new ATOM 454 N LYS A 35 1.431 -13.713 5.605 1.00 0.00 N ATOM 455 CA LYS A 35 1.393 -12.277 6.000 1.00 0.00 C ATOM 456 C LYS A 35 0.947 -11.433 4.805 1.00 0.00 C ATOM 457 O LYS A 35 0.896 -11.903 3.686 1.00 0.00 O ATOM 458 CB LYS A 35 2.788 -11.832 6.447 1.00 0.00 C ATOM 459 CG LYS A 35 3.059 -12.344 7.863 1.00 0.00 C ATOM 460 CD LYS A 35 2.417 -11.400 8.881 1.00 0.00 C ATOM 461 CE LYS A 35 1.764 -12.219 9.996 1.00 0.00 C ATOM 462 NZ LYS A 35 2.731 -12.390 11.117 1.00 0.00 N ATOM 0 H LYS A 35 1.922 -13.910 4.733 1.00 0.00 H new ATOM 0 HA LYS A 35 0.690 -12.145 6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.541 -12.217 5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.860 -10.745 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.656 -13.350 7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.133 -12.408 8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.170 -10.732 9.299 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.672 -10.773 8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.864 -11.717 10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.457 -13.193 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.288 -12.947 11.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.578 -12.886 10.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.003 -11.457 11.486 1.00 0.00 H new ATOM 476 N VAL A 36 0.622 -10.190 5.032 1.00 0.00 N ATOM 477 CA VAL A 36 0.180 -9.319 3.907 1.00 0.00 C ATOM 478 C VAL A 36 1.224 -8.227 3.664 1.00 0.00 C ATOM 479 O VAL A 36 1.564 -7.471 4.552 1.00 0.00 O ATOM 480 CB VAL A 36 -1.163 -8.674 4.260 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.475 -7.559 3.260 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.266 -9.732 4.200 1.00 0.00 C ATOM 0 H VAL A 36 0.643 -9.740 5.947 1.00 0.00 H new ATOM 0 HA VAL A 36 0.069 -9.920 3.004 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.111 -8.256 5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.431 -7.101 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.689 -6.804 3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.527 -7.976 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.223 -9.275 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.316 -10.149 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.046 -10.528 4.912 1.00 0.00 H new ATOM 492 N GLU A 37 1.735 -8.139 2.466 1.00 0.00 N ATOM 493 CA GLU A 37 2.756 -7.096 2.167 1.00 0.00 C ATOM 494 C GLU A 37 2.068 -5.866 1.571 1.00 0.00 C ATOM 495 O GLU A 37 0.885 -5.880 1.291 1.00 0.00 O ATOM 496 CB GLU A 37 3.769 -7.648 1.162 1.00 0.00 C ATOM 497 CG GLU A 37 4.719 -8.615 1.873 1.00 0.00 C ATOM 498 CD GLU A 37 4.896 -9.876 1.025 1.00 0.00 C ATOM 499 OE1 GLU A 37 3.891 -10.461 0.654 1.00 0.00 O ATOM 500 OE2 GLU A 37 6.031 -10.235 0.762 1.00 0.00 O ATOM 0 H GLU A 37 1.490 -8.744 1.682 1.00 0.00 H new ATOM 0 HA GLU A 37 3.270 -6.817 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.251 -8.161 0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.334 -6.831 0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.685 -8.137 2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.321 -8.877 2.854 1.00 0.00 H new ATOM 507 N TYR A 38 2.797 -4.803 1.374 1.00 0.00 N ATOM 508 CA TYR A 38 2.181 -3.574 0.797 1.00 0.00 C ATOM 509 C TYR A 38 3.255 -2.757 0.075 1.00 0.00 C ATOM 510 O TYR A 38 4.056 -2.083 0.692 1.00 0.00 O ATOM 511 CB TYR A 38 1.569 -2.734 1.919 1.00 0.00 C ATOM 512 CG TYR A 38 0.066 -2.871 1.890 1.00 0.00 C ATOM 513 CD1 TYR A 38 -0.704 -1.999 1.108 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.561 -3.873 2.644 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.099 -2.127 1.082 1.00 0.00 C ATOM 516 CE2 TYR A 38 -1.957 -4.001 2.617 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.726 -3.128 1.836 1.00 0.00 C ATOM 518 OH TYR A 38 -4.099 -3.253 1.810 1.00 0.00 O ATOM 0 H TYR A 38 3.792 -4.731 1.587 1.00 0.00 H new ATOM 0 HA TYR A 38 1.401 -3.856 0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.956 -3.061 2.884 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.852 -1.688 1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.222 -1.228 0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.031 -4.546 3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.692 -1.454 0.480 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.440 -4.773 3.198 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.371 -3.997 2.387 1.00 0.00 H new ATOM 528 N LEU A 39 3.278 -2.812 -1.229 1.00 0.00 N ATOM 529 CA LEU A 39 4.300 -2.037 -1.990 1.00 0.00 C ATOM 530 C LEU A 39 3.883 -0.568 -2.049 1.00 0.00 C ATOM 531 O LEU A 39 2.923 -0.213 -2.700 1.00 0.00 O ATOM 532 CB LEU A 39 4.407 -2.594 -3.411 1.00 0.00 C ATOM 533 CG LEU A 39 5.601 -1.954 -4.122 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.645 -3.027 -4.437 1.00 0.00 C ATOM 535 CD2 LEU A 39 5.130 -1.306 -5.425 1.00 0.00 C ATOM 0 H LEU A 39 2.634 -3.359 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 39 5.266 -2.121 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.526 -3.677 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.489 -2.390 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 39 6.043 -1.196 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.495 -2.570 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.981 -3.491 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.203 -3.786 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.980 -0.850 -5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.687 -2.065 -6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.386 -0.541 -5.203 1.00 0.00 H new ATOM 547 N LEU A 40 4.597 0.291 -1.372 1.00 0.00 N ATOM 548 CA LEU A 40 4.237 1.736 -1.391 1.00 0.00 C ATOM 549 C LEU A 40 5.498 2.573 -1.617 1.00 0.00 C ATOM 550 O LEU A 40 6.605 2.115 -1.410 1.00 0.00 O ATOM 551 CB LEU A 40 3.599 2.122 -0.055 1.00 0.00 C ATOM 552 CG LEU A 40 4.321 1.405 1.087 1.00 0.00 C ATOM 553 CD1 LEU A 40 5.665 2.085 1.349 1.00 0.00 C ATOM 554 CD2 LEU A 40 3.462 1.471 2.353 1.00 0.00 C ATOM 0 H LEU A 40 5.413 0.054 -0.808 1.00 0.00 H new ATOM 0 HA LEU A 40 3.528 1.923 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.655 3.201 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.542 1.855 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 40 4.489 0.363 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.179 1.574 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.277 2.040 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.498 3.127 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.975 0.960 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.295 2.513 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.503 0.987 2.168 1.00 0.00 H new ATOM 566 N LYS A 41 5.342 3.798 -2.039 1.00 0.00 N ATOM 567 CA LYS A 41 6.532 4.662 -2.277 1.00 0.00 C ATOM 568 C LYS A 41 6.821 5.489 -1.022 1.00 0.00 C ATOM 569 O LYS A 41 6.083 5.448 -0.058 1.00 0.00 O ATOM 570 CB LYS A 41 6.255 5.602 -3.452 1.00 0.00 C ATOM 571 CG LYS A 41 7.480 5.648 -4.369 1.00 0.00 C ATOM 572 CD LYS A 41 7.153 6.469 -5.617 1.00 0.00 C ATOM 573 CE LYS A 41 7.019 7.945 -5.237 1.00 0.00 C ATOM 574 NZ LYS A 41 5.738 8.482 -5.778 1.00 0.00 N ATOM 0 H LYS A 41 4.441 4.238 -2.229 1.00 0.00 H new ATOM 0 HA LYS A 41 7.394 4.036 -2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.383 5.258 -4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.025 6.602 -3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.326 6.089 -3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.773 4.637 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.938 6.345 -6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.226 6.113 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.044 8.056 -4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.861 8.512 -5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.646 9.485 -5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.732 8.389 -6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.941 7.947 -5.378 1.00 0.00 H new ATOM 588 N TRP A 42 7.888 6.239 -1.026 1.00 0.00 N ATOM 589 CA TRP A 42 8.221 7.066 0.167 1.00 0.00 C ATOM 590 C TRP A 42 8.620 8.472 -0.282 1.00 0.00 C ATOM 591 O TRP A 42 9.115 8.668 -1.374 1.00 0.00 O ATOM 592 CB TRP A 42 9.386 6.425 0.923 1.00 0.00 C ATOM 593 CG TRP A 42 8.945 5.118 1.502 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.818 3.964 0.808 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.574 4.813 2.877 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.392 2.969 1.670 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.227 3.443 2.956 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.506 5.586 4.051 1.00 0.00 C ATOM 599 CZ2 TRP A 42 7.827 2.860 4.159 1.00 0.00 C ATOM 600 CZ3 TRP A 42 8.103 5.002 5.265 1.00 0.00 C ATOM 601 CH2 TRP A 42 7.765 3.641 5.318 1.00 0.00 C ATOM 0 H TRP A 42 8.544 6.315 -1.804 1.00 0.00 H new ATOM 0 HA TRP A 42 7.351 7.126 0.821 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.229 6.271 0.250 1.00 0.00 H new ATOM 0 HB3 TRP A 42 9.728 7.089 1.716 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.017 3.840 -0.246 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.221 2.003 1.390 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.765 6.634 4.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.567 1.812 4.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.053 5.604 6.161 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.457 3.197 6.253 1.00 0.00 H new ATOM 612 N LYS A 43 8.410 9.454 0.552 1.00 0.00 N ATOM 613 CA LYS A 43 8.780 10.845 0.171 1.00 0.00 C ATOM 614 C LYS A 43 9.884 11.351 1.101 1.00 0.00 C ATOM 615 O LYS A 43 9.622 11.990 2.102 1.00 0.00 O ATOM 616 CB LYS A 43 7.553 11.752 0.292 1.00 0.00 C ATOM 617 CG LYS A 43 6.772 11.391 1.557 1.00 0.00 C ATOM 618 CD LYS A 43 5.654 12.412 1.775 1.00 0.00 C ATOM 619 CE LYS A 43 6.201 13.613 2.547 1.00 0.00 C ATOM 620 NZ LYS A 43 5.077 14.326 3.218 1.00 0.00 N ATOM 0 H LYS A 43 7.999 9.352 1.480 1.00 0.00 H new ATOM 0 HA LYS A 43 9.138 10.857 -0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.862 12.797 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.916 11.639 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.352 10.390 1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.440 11.378 2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.251 12.736 0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.833 11.955 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.929 13.282 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.721 14.289 1.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.449 15.143 3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.398 14.654 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.600 13.679 3.877 1.00 0.00 H new ATOM 634 N GLY A 44 11.117 11.071 0.780 1.00 0.00 N ATOM 635 CA GLY A 44 12.237 11.535 1.648 1.00 0.00 C ATOM 636 C GLY A 44 13.433 10.594 1.487 1.00 0.00 C ATOM 637 O GLY A 44 14.555 10.941 1.797 1.00 0.00 O ATOM 0 H GLY A 44 11.398 10.541 -0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.522 12.552 1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.918 11.559 2.690 1.00 0.00 H new ATOM 641 N PHE A 45 13.201 9.402 1.006 1.00 0.00 N ATOM 642 CA PHE A 45 14.326 8.439 0.826 1.00 0.00 C ATOM 643 C PHE A 45 14.856 8.536 -0.605 1.00 0.00 C ATOM 644 O PHE A 45 15.963 8.979 -0.840 1.00 0.00 O ATOM 645 CB PHE A 45 13.827 7.017 1.090 1.00 0.00 C ATOM 646 CG PHE A 45 13.774 6.769 2.578 1.00 0.00 C ATOM 647 CD1 PHE A 45 14.962 6.619 3.306 1.00 0.00 C ATOM 648 CD2 PHE A 45 12.537 6.689 3.232 1.00 0.00 C ATOM 649 CE1 PHE A 45 14.913 6.390 4.687 1.00 0.00 C ATOM 650 CE2 PHE A 45 12.488 6.458 4.614 1.00 0.00 C ATOM 651 CZ PHE A 45 13.676 6.309 5.342 1.00 0.00 C ATOM 0 H PHE A 45 12.283 9.054 0.730 1.00 0.00 H new ATOM 0 HA PHE A 45 15.126 8.679 1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 45 12.838 6.880 0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 45 14.489 6.294 0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.915 6.680 2.802 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.621 6.805 2.671 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.829 6.276 5.248 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.535 6.395 5.117 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.639 6.132 6.407 1.00 0.00 H new ATOM 661 N SER A 46 14.075 8.124 -1.566 1.00 0.00 N ATOM 662 CA SER A 46 14.535 8.192 -2.982 1.00 0.00 C ATOM 663 C SER A 46 13.381 8.661 -3.868 1.00 0.00 C ATOM 664 O SER A 46 12.526 9.415 -3.446 1.00 0.00 O ATOM 665 CB SER A 46 14.996 6.806 -3.435 1.00 0.00 C ATOM 666 OG SER A 46 13.858 5.997 -3.704 1.00 0.00 O ATOM 0 H SER A 46 13.138 7.743 -1.432 1.00 0.00 H new ATOM 0 HA SER A 46 15.365 8.894 -3.063 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.616 6.890 -4.328 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.611 6.344 -2.662 1.00 0.00 H new ATOM 0 HG SER A 46 14.150 5.108 -3.996 1.00 0.00 H new ATOM 672 N ASP A 47 13.346 8.221 -5.097 1.00 0.00 N ATOM 673 CA ASP A 47 12.246 8.642 -6.007 1.00 0.00 C ATOM 674 C ASP A 47 11.135 7.591 -5.982 1.00 0.00 C ATOM 675 O ASP A 47 9.963 7.912 -5.959 1.00 0.00 O ATOM 676 CB ASP A 47 12.787 8.780 -7.431 1.00 0.00 C ATOM 677 CG ASP A 47 11.692 9.338 -8.343 1.00 0.00 C ATOM 678 OD1 ASP A 47 10.773 9.949 -7.824 1.00 0.00 O ATOM 679 OD2 ASP A 47 11.792 9.145 -9.542 1.00 0.00 O ATOM 0 H ASP A 47 14.032 7.588 -5.509 1.00 0.00 H new ATOM 0 HA ASP A 47 11.847 9.601 -5.676 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.654 9.441 -7.439 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.122 7.810 -7.799 1.00 0.00 H new ATOM 684 N GLU A 48 11.494 6.337 -5.982 1.00 0.00 N ATOM 685 CA GLU A 48 10.461 5.266 -5.956 1.00 0.00 C ATOM 686 C GLU A 48 10.947 4.118 -5.069 1.00 0.00 C ATOM 687 O GLU A 48 11.505 3.148 -5.543 1.00 0.00 O ATOM 688 CB GLU A 48 10.221 4.751 -7.376 1.00 0.00 C ATOM 689 CG GLU A 48 11.558 4.650 -8.116 1.00 0.00 C ATOM 690 CD GLU A 48 11.511 3.479 -9.098 1.00 0.00 C ATOM 691 OE1 GLU A 48 10.593 3.440 -9.901 1.00 0.00 O ATOM 692 OE2 GLU A 48 12.393 2.639 -9.031 1.00 0.00 O ATOM 0 H GLU A 48 12.459 6.008 -5.999 1.00 0.00 H new ATOM 0 HA GLU A 48 9.529 5.667 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.737 3.775 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.548 5.423 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.761 5.578 -8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.370 4.508 -7.403 1.00 0.00 H new ATOM 699 N ASP A 49 10.740 4.223 -3.786 1.00 0.00 N ATOM 700 CA ASP A 49 11.192 3.141 -2.868 1.00 0.00 C ATOM 701 C ASP A 49 10.054 2.138 -2.669 1.00 0.00 C ATOM 702 O ASP A 49 9.736 1.755 -1.561 1.00 0.00 O ATOM 703 CB ASP A 49 11.580 3.751 -1.519 1.00 0.00 C ATOM 704 CG ASP A 49 12.944 3.211 -1.087 1.00 0.00 C ATOM 705 OD1 ASP A 49 13.072 2.003 -0.970 1.00 0.00 O ATOM 706 OD2 ASP A 49 13.839 4.015 -0.881 1.00 0.00 O ATOM 0 H ASP A 49 10.277 5.011 -3.334 1.00 0.00 H new ATOM 0 HA ASP A 49 12.054 2.631 -3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.615 4.838 -1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.827 3.509 -0.769 1.00 0.00 H new ATOM 711 N ASN A 50 9.439 1.708 -3.737 1.00 0.00 N ATOM 712 CA ASN A 50 8.323 0.729 -3.614 1.00 0.00 C ATOM 713 C ASN A 50 8.804 -0.502 -2.845 1.00 0.00 C ATOM 714 O ASN A 50 9.284 -1.457 -3.422 1.00 0.00 O ATOM 715 CB ASN A 50 7.858 0.310 -5.011 1.00 0.00 C ATOM 716 CG ASN A 50 9.068 0.195 -5.938 1.00 0.00 C ATOM 717 OD1 ASN A 50 10.187 0.064 -5.483 1.00 0.00 O ATOM 718 ND2 ASN A 50 8.892 0.240 -7.231 1.00 0.00 N ATOM 0 H ASN A 50 9.662 1.993 -4.691 1.00 0.00 H new ATOM 0 HA ASN A 50 7.494 1.189 -3.077 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.333 -0.644 -4.960 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.152 1.041 -5.406 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.693 0.165 -7.858 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.953 0.350 -7.614 1.00 0.00 H new ATOM 725 N THR A 51 8.680 -0.487 -1.546 1.00 0.00 N ATOM 726 CA THR A 51 9.131 -1.658 -0.742 1.00 0.00 C ATOM 727 C THR A 51 7.909 -2.409 -0.208 1.00 0.00 C ATOM 728 O THR A 51 6.852 -1.841 -0.019 1.00 0.00 O ATOM 729 CB THR A 51 9.984 -1.171 0.433 1.00 0.00 C ATOM 730 OG1 THR A 51 10.382 -2.285 1.219 1.00 0.00 O ATOM 731 CG2 THR A 51 9.167 -0.203 1.292 1.00 0.00 C ATOM 0 H THR A 51 8.286 0.285 -1.007 1.00 0.00 H new ATOM 0 HA THR A 51 9.723 -2.325 -1.369 1.00 0.00 H new ATOM 0 HB THR A 51 10.868 -0.658 0.054 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.930 -1.976 1.971 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.775 0.143 2.128 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.861 0.651 0.687 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.282 -0.713 1.673 1.00 0.00 H new ATOM 739 N TRP A 52 8.045 -3.684 0.035 1.00 0.00 N ATOM 740 CA TRP A 52 6.891 -4.468 0.557 1.00 0.00 C ATOM 741 C TRP A 52 6.951 -4.513 2.084 1.00 0.00 C ATOM 742 O TRP A 52 7.791 -5.172 2.663 1.00 0.00 O ATOM 743 CB TRP A 52 6.951 -5.894 0.003 1.00 0.00 C ATOM 744 CG TRP A 52 6.754 -5.861 -1.480 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.749 -5.851 -2.397 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.506 -5.834 -2.232 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.191 -5.819 -3.659 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.819 -5.808 -3.611 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.147 -5.830 -1.861 1.00 0.00 C ATOM 750 CZ2 TRP A 52 4.831 -5.778 -4.585 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.142 -5.800 -2.844 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.485 -5.774 -4.206 1.00 0.00 C ATOM 0 H TRP A 52 8.904 -4.216 -0.105 1.00 0.00 H new ATOM 0 HA TRP A 52 5.960 -3.994 0.245 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.912 -6.349 0.243 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.182 -6.510 0.469 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.806 -5.866 -2.177 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.733 -5.805 -4.523 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.876 -5.850 -0.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.100 -5.758 -5.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.103 -5.797 -2.551 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.711 -5.751 -4.959 1.00 0.00 H new ATOM 763 N GLU A 53 6.067 -3.814 2.743 1.00 0.00 N ATOM 764 CA GLU A 53 6.075 -3.816 4.233 1.00 0.00 C ATOM 765 C GLU A 53 4.953 -4.722 4.750 1.00 0.00 C ATOM 766 O GLU A 53 4.083 -5.116 4.000 1.00 0.00 O ATOM 767 CB GLU A 53 5.856 -2.391 4.747 1.00 0.00 C ATOM 768 CG GLU A 53 7.196 -1.787 5.170 1.00 0.00 C ATOM 769 CD GLU A 53 6.977 -0.828 6.341 1.00 0.00 C ATOM 770 OE1 GLU A 53 6.593 -1.296 7.400 1.00 0.00 O ATOM 771 OE2 GLU A 53 7.197 0.358 6.159 1.00 0.00 O ATOM 0 H GLU A 53 5.340 -3.242 2.314 1.00 0.00 H new ATOM 0 HA GLU A 53 7.036 -4.188 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.399 -1.779 3.969 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.167 -2.400 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.888 -2.578 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.649 -1.257 4.332 1.00 0.00 H new ATOM 778 N PRO A 54 5.009 -5.023 6.022 1.00 0.00 N ATOM 779 CA PRO A 54 4.011 -5.882 6.679 1.00 0.00 C ATOM 780 C PRO A 54 2.727 -5.093 6.959 1.00 0.00 C ATOM 781 O PRO A 54 2.766 -3.924 7.287 1.00 0.00 O ATOM 782 CB PRO A 54 4.696 -6.295 7.985 1.00 0.00 C ATOM 783 CG PRO A 54 5.777 -5.223 8.267 1.00 0.00 C ATOM 784 CD PRO A 54 6.074 -4.534 6.921 1.00 0.00 C ATOM 0 HA PRO A 54 3.714 -6.737 6.071 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.976 -6.346 8.802 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.144 -7.284 7.893 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.424 -4.500 9.003 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.678 -5.680 8.676 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.049 -3.448 7.015 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.063 -4.799 6.548 1.00 0.00 H new ATOM 792 N GLU A 55 1.592 -5.724 6.830 1.00 0.00 N ATOM 793 CA GLU A 55 0.310 -5.012 7.088 1.00 0.00 C ATOM 794 C GLU A 55 -0.039 -5.111 8.576 1.00 0.00 C ATOM 795 O GLU A 55 -0.657 -4.228 9.138 1.00 0.00 O ATOM 796 CB GLU A 55 -0.805 -5.654 6.256 1.00 0.00 C ATOM 797 CG GLU A 55 -2.167 -5.173 6.764 1.00 0.00 C ATOM 798 CD GLU A 55 -2.971 -4.593 5.599 1.00 0.00 C ATOM 799 OE1 GLU A 55 -2.583 -3.549 5.099 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.961 -5.201 5.226 1.00 0.00 O ATOM 0 H GLU A 55 1.498 -6.702 6.557 1.00 0.00 H new ATOM 0 HA GLU A 55 0.413 -3.963 6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.685 -5.392 5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.743 -6.740 6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.711 -6.001 7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.032 -4.418 7.538 1.00 0.00 H new ATOM 807 N GLU A 56 0.349 -6.178 9.216 1.00 0.00 N ATOM 808 CA GLU A 56 0.038 -6.334 10.665 1.00 0.00 C ATOM 809 C GLU A 56 0.948 -5.419 11.491 1.00 0.00 C ATOM 810 O GLU A 56 0.866 -5.379 12.703 1.00 0.00 O ATOM 811 CB GLU A 56 0.268 -7.788 11.082 1.00 0.00 C ATOM 812 CG GLU A 56 -1.019 -8.589 10.871 1.00 0.00 C ATOM 813 CD GLU A 56 -1.499 -9.148 12.210 1.00 0.00 C ATOM 814 OE1 GLU A 56 -2.225 -8.449 12.896 1.00 0.00 O ATOM 815 OE2 GLU A 56 -1.131 -10.268 12.528 1.00 0.00 O ATOM 0 H GLU A 56 0.869 -6.950 8.798 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.003 -6.063 10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.079 -8.221 10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.570 -7.834 12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.788 -7.952 10.434 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.842 -9.403 10.168 1.00 0.00 H new ATOM 822 N ASN A 57 1.813 -4.683 10.847 1.00 0.00 N ATOM 823 CA ASN A 57 2.722 -3.773 11.600 1.00 0.00 C ATOM 824 C ASN A 57 2.617 -2.362 11.020 1.00 0.00 C ATOM 825 O ASN A 57 2.684 -1.381 11.731 1.00 0.00 O ATOM 826 CB ASN A 57 4.163 -4.273 11.476 1.00 0.00 C ATOM 827 CG ASN A 57 4.542 -5.055 12.736 1.00 0.00 C ATOM 828 OD1 ASN A 57 3.688 -5.429 13.514 1.00 0.00 O ATOM 829 ND2 ASN A 57 5.798 -5.318 12.971 1.00 0.00 N ATOM 0 H ASN A 57 1.929 -4.673 9.834 1.00 0.00 H new ATOM 0 HA ASN A 57 2.435 -3.757 12.652 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.264 -4.909 10.596 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.841 -3.431 11.340 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.062 -5.838 13.808 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.516 -5.004 12.318 1.00 0.00 H new ATOM 836 N LEU A 58 2.451 -2.256 9.730 1.00 0.00 N ATOM 837 CA LEU A 58 2.339 -0.911 9.101 1.00 0.00 C ATOM 838 C LEU A 58 1.316 -0.071 9.869 1.00 0.00 C ATOM 839 O LEU A 58 0.439 -0.594 10.528 1.00 0.00 O ATOM 840 CB LEU A 58 1.883 -1.068 7.649 1.00 0.00 C ATOM 841 CG LEU A 58 3.057 -0.785 6.711 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.716 -1.278 5.303 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.325 0.722 6.670 1.00 0.00 C ATOM 0 H LEU A 58 2.388 -3.043 9.085 1.00 0.00 H new ATOM 0 HA LEU A 58 3.309 -0.414 9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.506 -2.077 7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.062 -0.382 7.438 1.00 0.00 H new ATOM 0 HG LEU A 58 3.944 -1.304 7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.553 -1.076 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.523 -2.350 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.829 -0.759 4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.162 0.925 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.437 1.240 6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.567 1.076 7.672 1.00 0.00 H new ATOM 855 N ASP A 59 1.421 1.226 9.791 1.00 0.00 N ATOM 856 CA ASP A 59 0.455 2.098 10.517 1.00 0.00 C ATOM 857 C ASP A 59 -0.175 3.087 9.535 1.00 0.00 C ATOM 858 O ASP A 59 -0.305 4.261 9.820 1.00 0.00 O ATOM 859 CB ASP A 59 1.190 2.868 11.616 1.00 0.00 C ATOM 860 CG ASP A 59 0.271 3.030 12.828 1.00 0.00 C ATOM 861 OD1 ASP A 59 -0.876 2.626 12.735 1.00 0.00 O ATOM 862 OD2 ASP A 59 0.731 3.555 13.829 1.00 0.00 O ATOM 0 H ASP A 59 2.134 1.721 9.256 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.326 1.483 10.965 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.097 2.336 11.903 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.497 3.846 11.246 1.00 0.00 H new ATOM 867 N CYS A 60 -0.569 2.623 8.380 1.00 0.00 N ATOM 868 CA CYS A 60 -1.191 3.537 7.381 1.00 0.00 C ATOM 869 C CYS A 60 -2.504 2.929 6.879 1.00 0.00 C ATOM 870 O CYS A 60 -2.551 2.360 5.807 1.00 0.00 O ATOM 871 CB CYS A 60 -0.235 3.731 6.203 1.00 0.00 C ATOM 872 SG CYS A 60 0.257 5.470 6.106 1.00 0.00 S ATOM 0 H CYS A 60 -0.487 1.650 8.085 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.393 4.501 7.848 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.645 3.099 6.327 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.718 3.426 5.275 1.00 0.00 H new ATOM 0 HG CYS A 60 1.547 5.564 6.233 1.00 0.00 H new ATOM 878 N PRO A 61 -3.533 3.074 7.675 1.00 0.00 N ATOM 879 CA PRO A 61 -4.870 2.551 7.346 1.00 0.00 C ATOM 880 C PRO A 61 -5.566 3.467 6.336 1.00 0.00 C ATOM 881 O PRO A 61 -6.705 3.252 5.970 1.00 0.00 O ATOM 882 CB PRO A 61 -5.600 2.562 8.692 1.00 0.00 C ATOM 883 CG PRO A 61 -4.864 3.596 9.579 1.00 0.00 C ATOM 884 CD PRO A 61 -3.457 3.771 8.975 1.00 0.00 C ATOM 0 HA PRO A 61 -4.846 1.561 6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.647 2.836 8.564 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.583 1.574 9.151 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.400 4.545 9.594 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.803 3.248 10.610 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.206 4.824 8.848 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.691 3.335 9.617 1.00 0.00 H new ATOM 892 N ASP A 62 -4.889 4.484 5.878 1.00 0.00 N ATOM 893 CA ASP A 62 -5.510 5.408 4.891 1.00 0.00 C ATOM 894 C ASP A 62 -5.281 4.856 3.485 1.00 0.00 C ATOM 895 O ASP A 62 -6.199 4.729 2.700 1.00 0.00 O ATOM 896 CB ASP A 62 -4.868 6.792 5.008 1.00 0.00 C ATOM 897 CG ASP A 62 -5.889 7.864 4.627 1.00 0.00 C ATOM 898 OD1 ASP A 62 -6.859 7.522 3.969 1.00 0.00 O ATOM 899 OD2 ASP A 62 -5.685 9.008 4.998 1.00 0.00 O ATOM 0 H ASP A 62 -3.932 4.714 6.146 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.579 5.492 5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.516 6.956 6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.997 6.856 4.356 1.00 0.00 H new ATOM 904 N LEU A 63 -4.064 4.515 3.165 1.00 0.00 N ATOM 905 CA LEU A 63 -3.783 3.962 1.815 1.00 0.00 C ATOM 906 C LEU A 63 -4.137 2.477 1.807 1.00 0.00 C ATOM 907 O LEU A 63 -4.349 1.882 0.769 1.00 0.00 O ATOM 908 CB LEU A 63 -2.301 4.140 1.481 1.00 0.00 C ATOM 909 CG LEU A 63 -1.882 5.582 1.773 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.509 5.588 2.447 1.00 0.00 C ATOM 911 CD2 LEU A 63 -1.807 6.365 0.460 1.00 0.00 C ATOM 0 H LEU A 63 -3.254 4.596 3.780 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.379 4.489 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.699 3.449 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.123 3.904 0.432 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.614 6.046 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.210 6.615 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.560 5.029 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.223 5.124 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.509 7.393 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.075 5.900 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.784 6.361 -0.023 1.00 0.00 H new ATOM 923 N ILE A 64 -4.212 1.873 2.962 1.00 0.00 N ATOM 924 CA ILE A 64 -4.562 0.430 3.024 1.00 0.00 C ATOM 925 C ILE A 64 -6.057 0.270 2.753 1.00 0.00 C ATOM 926 O ILE A 64 -6.479 -0.629 2.053 1.00 0.00 O ATOM 927 CB ILE A 64 -4.233 -0.118 4.414 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.714 -0.206 4.580 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.844 -1.511 4.571 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.375 -0.488 6.045 1.00 0.00 C ATOM 0 H ILE A 64 -4.046 2.319 3.864 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.990 -0.120 2.277 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.645 0.547 5.174 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.313 -0.996 3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.248 0.726 4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.610 -1.902 5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.926 -1.449 4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.433 -2.176 3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.293 -0.551 6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.762 0.317 6.670 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.828 -1.432 6.348 1.00 0.00 H new ATOM 942 N ALA A 65 -6.863 1.141 3.297 1.00 0.00 N ATOM 943 CA ALA A 65 -8.332 1.048 3.068 1.00 0.00 C ATOM 944 C ALA A 65 -8.730 1.993 1.931 1.00 0.00 C ATOM 945 O ALA A 65 -9.890 2.117 1.593 1.00 0.00 O ATOM 946 CB ALA A 65 -9.075 1.443 4.345 1.00 0.00 C ATOM 0 H ALA A 65 -6.566 1.915 3.892 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.594 0.025 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.150 1.375 4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.791 0.770 5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.815 2.466 4.616 1.00 0.00 H new ATOM 952 N GLU A 66 -7.775 2.655 1.335 1.00 0.00 N ATOM 953 CA GLU A 66 -8.098 3.586 0.216 1.00 0.00 C ATOM 954 C GLU A 66 -7.741 2.914 -1.107 1.00 0.00 C ATOM 955 O GLU A 66 -8.550 2.820 -2.008 1.00 0.00 O ATOM 956 CB GLU A 66 -7.287 4.875 0.373 1.00 0.00 C ATOM 957 CG GLU A 66 -7.507 5.769 -0.848 1.00 0.00 C ATOM 958 CD GLU A 66 -6.600 6.996 -0.753 1.00 0.00 C ATOM 959 OE1 GLU A 66 -5.399 6.813 -0.638 1.00 0.00 O ATOM 960 OE2 GLU A 66 -7.120 8.098 -0.796 1.00 0.00 O ATOM 0 H GLU A 66 -6.786 2.591 1.575 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.161 3.828 0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.589 5.399 1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.228 4.640 0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.292 5.214 -1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.551 6.079 -0.902 1.00 0.00 H new ATOM 967 N PHE A 67 -6.534 2.435 -1.226 1.00 0.00 N ATOM 968 CA PHE A 67 -6.121 1.757 -2.482 1.00 0.00 C ATOM 969 C PHE A 67 -7.089 0.609 -2.760 1.00 0.00 C ATOM 970 O PHE A 67 -7.523 0.405 -3.876 1.00 0.00 O ATOM 971 CB PHE A 67 -4.700 1.209 -2.321 1.00 0.00 C ATOM 972 CG PHE A 67 -4.394 0.260 -3.452 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.660 0.636 -4.775 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.844 -0.999 -3.178 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.376 -0.248 -5.825 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.560 -1.883 -4.226 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.826 -1.508 -5.551 1.00 0.00 C ATOM 0 H PHE A 67 -5.815 2.485 -0.504 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.138 2.463 -3.312 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.981 2.029 -2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.604 0.695 -1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.084 1.607 -4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.639 -1.288 -2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.581 0.042 -6.845 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.136 -2.853 -4.014 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.607 -2.190 -6.360 1.00 0.00 H new ATOM 987 N LEU A 68 -7.441 -0.138 -1.747 1.00 0.00 N ATOM 988 CA LEU A 68 -8.393 -1.262 -1.952 1.00 0.00 C ATOM 989 C LEU A 68 -9.754 -0.686 -2.339 1.00 0.00 C ATOM 990 O LEU A 68 -10.461 -1.234 -3.162 1.00 0.00 O ATOM 991 CB LEU A 68 -8.502 -2.090 -0.661 1.00 0.00 C ATOM 992 CG LEU A 68 -9.475 -1.432 0.326 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.916 -1.779 -0.061 1.00 0.00 C ATOM 994 CD2 LEU A 68 -9.197 -1.960 1.734 1.00 0.00 C ATOM 0 H LEU A 68 -7.110 -0.017 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.039 -1.916 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.843 -3.098 -0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.519 -2.186 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.340 -0.351 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.605 -1.310 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.120 -1.414 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.050 -2.860 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.886 -1.495 2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.335 -3.041 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.172 -1.720 2.017 1.00 0.00 H new ATOM 1006 N GLN A 69 -10.122 0.425 -1.760 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.430 1.041 -2.109 1.00 0.00 C ATOM 1008 C GLN A 69 -11.512 1.170 -3.627 1.00 0.00 C ATOM 1009 O GLN A 69 -12.582 1.242 -4.199 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.535 2.426 -1.467 1.00 0.00 C ATOM 1011 CG GLN A 69 -12.989 2.900 -1.507 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.688 2.518 -0.200 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -13.758 1.356 0.147 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -14.211 3.455 0.543 1.00 0.00 N ATOM 0 H GLN A 69 -9.574 0.930 -1.063 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.247 0.420 -1.741 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.182 2.388 -0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.896 3.133 -1.997 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.027 3.980 -1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.506 2.449 -2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.152 4.430 0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.679 3.212 1.416 1.00 0.00 H new ATOM 1023 N SER A 70 -10.380 1.191 -4.284 1.00 0.00 N ATOM 1024 CA SER A 70 -10.376 1.303 -5.771 1.00 0.00 C ATOM 1025 C SER A 70 -11.474 0.415 -6.342 1.00 0.00 C ATOM 1026 O SER A 70 -12.448 0.885 -6.897 1.00 0.00 O ATOM 1027 CB SER A 70 -9.021 0.841 -6.308 1.00 0.00 C ATOM 1028 OG SER A 70 -8.919 1.188 -7.683 1.00 0.00 O ATOM 0 H SER A 70 -9.458 1.135 -3.852 1.00 0.00 H new ATOM 0 HA SER A 70 -10.551 2.338 -6.063 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.214 1.307 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.916 -0.237 -6.184 1.00 0.00 H new ATOM 0 HG SER A 70 -8.051 0.895 -8.031 1.00 0.00 H new ATOM 1034 N GLN A 71 -11.325 -0.868 -6.201 1.00 0.00 N ATOM 1035 CA GLN A 71 -12.354 -1.805 -6.722 1.00 0.00 C ATOM 1036 C GLN A 71 -12.661 -2.826 -5.633 1.00 0.00 C ATOM 1037 O GLN A 71 -12.945 -3.975 -5.905 1.00 0.00 O ATOM 1038 CB GLN A 71 -11.828 -2.532 -7.969 1.00 0.00 C ATOM 1039 CG GLN A 71 -10.531 -1.879 -8.459 1.00 0.00 C ATOM 1040 CD GLN A 71 -10.062 -2.571 -9.740 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -9.143 -3.365 -9.714 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -10.658 -2.301 -10.869 1.00 0.00 N ATOM 0 H GLN A 71 -10.529 -1.312 -5.744 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.253 -1.252 -6.995 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.649 -3.582 -7.738 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.579 -2.503 -8.759 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.694 -0.818 -8.646 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.761 -1.953 -7.691 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.430 -1.634 -10.892 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.352 -2.757 -11.729 1.00 0.00 H new ATOM 1051 N LYS A 72 -12.586 -2.421 -4.394 1.00 0.00 N ATOM 1052 CA LYS A 72 -12.850 -3.378 -3.289 1.00 0.00 C ATOM 1053 C LYS A 72 -11.846 -4.521 -3.406 1.00 0.00 C ATOM 1054 O LYS A 72 -12.053 -5.604 -2.895 1.00 0.00 O ATOM 1055 CB LYS A 72 -14.274 -3.924 -3.407 1.00 0.00 C ATOM 1056 CG LYS A 72 -15.253 -2.764 -3.596 1.00 0.00 C ATOM 1057 CD LYS A 72 -16.675 -3.241 -3.297 1.00 0.00 C ATOM 1058 CE LYS A 72 -17.494 -2.085 -2.720 1.00 0.00 C ATOM 1059 NZ LYS A 72 -18.852 -2.084 -3.334 1.00 0.00 N ATOM 0 H LYS A 72 -12.354 -1.471 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.748 -2.882 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.342 -4.612 -4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.533 -4.490 -2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.988 -1.939 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.192 -2.386 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.144 -3.613 -4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.650 -4.070 -2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.573 -2.186 -1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.994 -1.137 -2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.410 -1.298 -2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.767 -1.968 -4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.328 -2.985 -3.125 1.00 0.00 H new ATOM 1073 N THR A 73 -10.758 -4.284 -4.090 1.00 0.00 N ATOM 1074 CA THR A 73 -9.733 -5.347 -4.263 1.00 0.00 C ATOM 1075 C THR A 73 -8.375 -4.713 -4.578 1.00 0.00 C ATOM 1076 O THR A 73 -7.489 -4.677 -3.747 1.00 0.00 O ATOM 1077 CB THR A 73 -10.146 -6.267 -5.416 1.00 0.00 C ATOM 1078 OG1 THR A 73 -8.984 -6.844 -5.997 1.00 0.00 O ATOM 1079 CG2 THR A 73 -10.901 -5.458 -6.477 1.00 0.00 C ATOM 0 H THR A 73 -10.537 -3.394 -4.537 1.00 0.00 H new ATOM 0 HA THR A 73 -9.654 -5.925 -3.342 1.00 0.00 H new ATOM 0 HB THR A 73 -10.795 -7.056 -5.036 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.843 -6.467 -6.890 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.193 -6.115 -7.296 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.792 -5.015 -6.031 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.255 -4.667 -6.859 1.00 0.00 H new ATOM 1087 N ALA A 74 -8.200 -4.216 -5.773 1.00 0.00 N ATOM 1088 CA ALA A 74 -6.898 -3.592 -6.141 1.00 0.00 C ATOM 1089 C ALA A 74 -5.864 -4.692 -6.391 1.00 0.00 C ATOM 1090 O ALA A 74 -5.219 -5.170 -5.480 1.00 0.00 O ATOM 1091 CB ALA A 74 -6.424 -2.693 -4.998 1.00 0.00 C ATOM 0 H ALA A 74 -8.904 -4.216 -6.511 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.020 -2.994 -7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.471 -2.236 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.163 -1.913 -4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.299 -3.289 -4.094 1.00 0.00 H new ATOM 1097 N HIS A 75 -5.706 -5.099 -7.622 1.00 0.00 N ATOM 1098 CA HIS A 75 -4.718 -6.171 -7.935 1.00 0.00 C ATOM 1099 C HIS A 75 -5.300 -7.529 -7.541 1.00 0.00 C ATOM 1100 O HIS A 75 -4.866 -8.151 -6.591 1.00 0.00 O ATOM 1101 CB HIS A 75 -3.425 -5.923 -7.155 1.00 0.00 C ATOM 1102 CG HIS A 75 -2.296 -6.674 -7.806 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -2.130 -6.711 -9.182 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -1.269 -7.420 -7.284 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -1.040 -7.457 -9.439 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -0.477 -7.914 -8.316 1.00 0.00 N ATOM 0 H HIS A 75 -6.219 -4.735 -8.425 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.501 -6.163 -9.003 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.201 -4.857 -7.131 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.543 -6.247 -6.121 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.101 -7.597 -6.232 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.666 -7.662 -10.431 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.354 -8.499 -8.233 1.00 0.00 H new ATOM 1114 N GLU A 76 -6.283 -7.996 -8.263 1.00 0.00 N ATOM 1115 CA GLU A 76 -6.895 -9.314 -7.930 1.00 0.00 C ATOM 1116 C GLU A 76 -7.652 -9.847 -9.147 1.00 0.00 C ATOM 1117 O GLU A 76 -7.352 -10.905 -9.664 1.00 0.00 O ATOM 1118 CB GLU A 76 -7.864 -9.144 -6.759 1.00 0.00 C ATOM 1119 CG GLU A 76 -8.234 -10.518 -6.197 1.00 0.00 C ATOM 1120 CD GLU A 76 -9.642 -10.465 -5.603 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -10.588 -10.647 -6.351 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -9.752 -10.244 -4.407 1.00 0.00 O ATOM 0 H GLU A 76 -6.689 -7.521 -9.069 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.112 -10.020 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.407 -8.533 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.762 -8.621 -7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.189 -11.269 -6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.516 -10.815 -5.432 1.00 0.00 H new ATOM 1129 N THR A 77 -8.635 -9.123 -9.609 1.00 0.00 N ATOM 1130 CA THR A 77 -9.413 -9.590 -10.793 1.00 0.00 C ATOM 1131 C THR A 77 -8.901 -8.882 -12.050 1.00 0.00 C ATOM 1132 O THR A 77 -9.623 -8.156 -12.703 1.00 0.00 O ATOM 1133 CB THR A 77 -10.894 -9.264 -10.592 1.00 0.00 C ATOM 1134 OG1 THR A 77 -11.561 -9.303 -11.845 1.00 0.00 O ATOM 1135 CG2 THR A 77 -11.034 -7.869 -9.980 1.00 0.00 C ATOM 0 H THR A 77 -8.933 -8.229 -9.219 1.00 0.00 H new ATOM 0 HA THR A 77 -9.291 -10.667 -10.906 1.00 0.00 H new ATOM 0 HB THR A 77 -11.339 -9.998 -9.921 1.00 0.00 H new ATOM 0 HG1 THR A 77 -11.310 -8.517 -12.374 1.00 0.00 H new ATOM 0 HG21 THR A 77 -12.090 -7.638 -9.838 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.523 -7.841 -9.017 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.589 -7.132 -10.648 1.00 0.00 H new ATOM 1143 N ASP A 78 -7.659 -9.088 -12.393 1.00 0.00 N ATOM 1144 CA ASP A 78 -7.102 -8.428 -13.607 1.00 0.00 C ATOM 1145 C ASP A 78 -6.385 -9.469 -14.468 1.00 0.00 C ATOM 1146 O ASP A 78 -5.473 -10.136 -14.022 1.00 0.00 O ATOM 1147 CB ASP A 78 -6.109 -7.342 -13.187 1.00 0.00 C ATOM 1148 CG ASP A 78 -6.078 -6.240 -14.248 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -7.048 -6.121 -14.978 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -5.086 -5.532 -14.311 1.00 0.00 O ATOM 0 H ASP A 78 -7.006 -9.685 -11.885 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.912 -7.977 -14.180 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.397 -6.924 -12.222 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.115 -7.771 -13.064 1.00 0.00 H new ATOM 1155 N LYS A 79 -6.790 -9.616 -15.701 1.00 0.00 N ATOM 1156 CA LYS A 79 -6.132 -10.616 -16.586 1.00 0.00 C ATOM 1157 C LYS A 79 -6.392 -10.253 -18.050 1.00 0.00 C ATOM 1158 O LYS A 79 -7.487 -10.405 -18.553 1.00 0.00 O ATOM 1159 CB LYS A 79 -6.703 -12.006 -16.298 1.00 0.00 C ATOM 1160 CG LYS A 79 -5.577 -13.041 -16.343 1.00 0.00 C ATOM 1161 CD LYS A 79 -6.122 -14.364 -16.885 1.00 0.00 C ATOM 1162 CE LYS A 79 -5.309 -15.525 -16.312 1.00 0.00 C ATOM 1163 NZ LYS A 79 -5.505 -16.735 -17.160 1.00 0.00 N ATOM 0 H LYS A 79 -7.548 -9.086 -16.132 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.059 -10.616 -16.397 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.183 -12.018 -15.319 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.469 -12.255 -17.032 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.765 -12.683 -16.976 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.163 -13.187 -15.345 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.172 -14.474 -16.616 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.070 -14.372 -17.974 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.252 -15.260 -16.276 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.621 -15.731 -15.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.952 -17.525 -16.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.513 -16.991 -17.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.187 -16.535 -18.130 1.00 0.00 H new ATOM 1177 N SER A 80 -5.392 -9.775 -18.738 1.00 0.00 N ATOM 1178 CA SER A 80 -5.582 -9.404 -20.170 1.00 0.00 C ATOM 1179 C SER A 80 -6.574 -8.243 -20.269 1.00 0.00 C ATOM 1180 O SER A 80 -7.523 -8.364 -21.026 1.00 0.00 O ATOM 1181 CB SER A 80 -6.127 -10.607 -20.938 1.00 0.00 C ATOM 1182 OG SER A 80 -6.015 -11.772 -20.131 1.00 0.00 O ATOM 1183 OXT SER A 80 -6.369 -7.254 -19.585 1.00 0.00 O ATOM 0 H SER A 80 -4.452 -9.625 -18.372 1.00 0.00 H new ATOM 0 HA SER A 80 -4.626 -9.102 -20.598 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.169 -10.438 -21.209 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.573 -10.740 -21.867 1.00 0.00 H new ATOM 0 HG SER A 80 -6.366 -12.545 -20.621 1.00 0.00 H new TER 1189 SER A 80