USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 655 hydrogens (21 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.12) USER MOD Single : A 2 ASN : amide:sc= -1.79! K(o=-1.8!,f=-0.016) USER MOD Single : A 6 THR OG1 : rot -55:sc= -3.08! USER MOD Single : A 13 LYS NZ :NH3+ -119:sc= -0.278 (180deg=-0.628) USER MOD Single : A 14 ASN : amide:sc= -5.91! C(o=-5.9!,f=-5!) USER MOD Single : A 17 LYS NZ :NH3+ 178:sc= -6.82! (180deg=-6.87!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00175 USER MOD Single : A 22 LYS NZ :NH3+ -145:sc= -7.64! (180deg=-11.9!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.95! USER MOD Single : A 27 SER OG : rot 150:sc= -2.01! USER MOD Single : A 28 HIS : no HD1:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -6.91! C(o=-6.9!,f=-1.9!) USER MOD Single : A 49 GLN : amide:sc= -0.0328 K(o=-0.033,f=-1.5!) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -3.57! K(o=-3.6!,f=-0.29) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 123:sc= -6.15! USER MOD Single : A 75 GLN : amide:sc= -5.25! C(o=-5.3!,f=-4.1!) USER MOD Single : A 76 ASN : amide:sc= -2.66! X(o=-2.7!,f=-2.6) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -117:sc= -7.52! (180deg=-9.95!) USER MOD Single : A 101 PNS O33 : rot 170:sc= 0 USER MOD Single : A 101 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.159 -9.641 11.247 1.00 0.00 N ATOM 2 CA MET A 1 -3.979 -8.523 10.711 1.00 0.00 C ATOM 3 C MET A 1 -3.318 -7.176 10.983 1.00 0.00 C ATOM 4 O MET A 1 -3.362 -6.272 10.149 1.00 0.00 O ATOM 5 CB MET A 1 -5.361 -8.576 11.364 1.00 0.00 C ATOM 6 CG MET A 1 -6.087 -7.241 11.358 1.00 0.00 C ATOM 7 SD MET A 1 -7.222 -7.072 9.967 1.00 0.00 S ATOM 8 CE MET A 1 -8.220 -5.688 10.510 1.00 0.00 C ATOM 0 H1 MET A 1 -3.529 -10.545 10.891 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.172 -9.526 10.940 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.201 -9.635 12.286 1.00 0.00 H new ATOM 0 HA MET A 1 -4.070 -8.631 9.630 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.971 -9.315 10.844 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.255 -8.918 12.394 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.642 -7.130 12.290 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.355 -6.434 11.324 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.971 -5.462 9.753 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.715 -5.942 11.448 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.583 -4.817 10.660 1.00 0.00 H new ATOM 20 N ASN A 2 -2.708 -7.048 12.157 1.00 0.00 N ATOM 21 CA ASN A 2 -2.038 -5.810 12.539 1.00 0.00 C ATOM 22 C ASN A 2 -0.904 -5.484 11.579 1.00 0.00 C ATOM 23 O ASN A 2 -0.597 -4.319 11.339 1.00 0.00 O ATOM 24 CB ASN A 2 -1.498 -5.910 13.967 1.00 0.00 C ATOM 25 CG ASN A 2 -2.604 -5.968 15.002 1.00 0.00 C ATOM 26 OD1 ASN A 2 -2.349 -6.166 16.189 1.00 0.00 O ATOM 27 ND2 ASN A 2 -3.844 -5.797 14.554 1.00 0.00 N ATOM 0 H ASN A 2 -2.664 -7.786 12.860 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.772 -5.006 12.493 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.875 -6.800 14.055 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -0.858 -5.052 14.171 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.630 -5.827 15.204 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.010 -5.635 13.561 1.00 0.00 H new ATOM 34 N ASP A 3 -0.283 -6.523 11.039 1.00 0.00 N ATOM 35 CA ASP A 3 0.827 -6.353 10.107 1.00 0.00 C ATOM 36 C ASP A 3 0.453 -5.397 8.980 1.00 0.00 C ATOM 37 O ASP A 3 1.316 -4.747 8.391 1.00 0.00 O ATOM 38 CB ASP A 3 1.246 -7.705 9.528 1.00 0.00 C ATOM 39 CG ASP A 3 0.114 -8.397 8.795 1.00 0.00 C ATOM 40 OD1 ASP A 3 -0.475 -7.773 7.886 1.00 0.00 O ATOM 41 OD2 ASP A 3 -0.186 -9.562 9.131 1.00 0.00 O ATOM 0 H ASP A 3 -0.528 -7.495 11.229 1.00 0.00 H new ATOM 0 HA ASP A 3 1.666 -5.925 10.656 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.083 -7.561 8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.600 -8.348 10.334 1.00 0.00 H new ATOM 46 N VAL A 4 -0.838 -5.314 8.690 1.00 0.00 N ATOM 47 CA VAL A 4 -1.330 -4.437 7.638 1.00 0.00 C ATOM 48 C VAL A 4 -1.180 -2.971 8.031 1.00 0.00 C ATOM 49 O VAL A 4 -0.570 -2.184 7.311 1.00 0.00 O ATOM 50 CB VAL A 4 -2.806 -4.728 7.311 1.00 0.00 C ATOM 51 CG1 VAL A 4 -3.670 -3.506 7.586 1.00 0.00 C ATOM 52 CG2 VAL A 4 -2.954 -5.182 5.867 1.00 0.00 C ATOM 0 H VAL A 4 -1.565 -5.845 9.170 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.727 -4.633 6.751 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.148 -5.535 7.959 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.709 -3.734 7.348 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.590 -3.233 8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.331 -2.674 6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.004 -5.383 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.592 -4.399 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.372 -6.090 5.710 1.00 0.00 H new ATOM 62 N LEU A 5 -1.741 -2.614 9.181 1.00 0.00 N ATOM 63 CA LEU A 5 -1.673 -1.248 9.682 1.00 0.00 C ATOM 64 C LEU A 5 -0.246 -0.872 10.062 1.00 0.00 C ATOM 65 O LEU A 5 0.165 0.275 9.920 1.00 0.00 O ATOM 66 CB LEU A 5 -2.597 -1.077 10.889 1.00 0.00 C ATOM 67 CG LEU A 5 -2.506 -2.189 11.936 1.00 0.00 C ATOM 68 CD1 LEU A 5 -1.432 -1.867 12.963 1.00 0.00 C ATOM 69 CD2 LEU A 5 -3.852 -2.390 12.615 1.00 0.00 C ATOM 0 H LEU A 5 -2.251 -3.257 9.787 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.001 -0.582 8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.369 -0.126 11.370 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.626 -1.016 10.534 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.232 -3.116 11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.381 -2.669 13.700 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.468 -1.772 12.464 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.676 -0.930 13.463 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.770 -3.184 13.357 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.154 -1.465 13.106 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.598 -2.665 11.870 1.00 0.00 H new ATOM 81 N THR A 6 0.496 -1.845 10.562 1.00 0.00 N ATOM 82 CA THR A 6 1.875 -1.621 10.983 1.00 0.00 C ATOM 83 C THR A 6 2.758 -1.196 9.826 1.00 0.00 C ATOM 84 O THR A 6 3.408 -0.153 9.873 1.00 0.00 O ATOM 85 CB THR A 6 2.458 -2.888 11.595 1.00 0.00 C ATOM 86 OG1 THR A 6 1.507 -3.928 11.581 1.00 0.00 O ATOM 87 CG2 THR A 6 2.939 -2.698 13.013 1.00 0.00 C ATOM 0 H THR A 6 0.168 -2.803 10.688 1.00 0.00 H new ATOM 0 HA THR A 6 1.852 -0.820 11.722 1.00 0.00 H new ATOM 0 HB THR A 6 3.320 -3.144 10.979 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.688 -3.628 12.028 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.342 -3.638 13.389 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.717 -1.935 13.034 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.105 -2.384 13.641 1.00 0.00 H new ATOM 95 N ARG A 7 2.794 -2.030 8.801 1.00 0.00 N ATOM 96 CA ARG A 7 3.619 -1.772 7.642 1.00 0.00 C ATOM 97 C ARG A 7 2.997 -0.709 6.749 1.00 0.00 C ATOM 98 O ARG A 7 3.685 0.181 6.253 1.00 0.00 O ATOM 99 CB ARG A 7 3.837 -3.061 6.847 1.00 0.00 C ATOM 100 CG ARG A 7 3.149 -3.063 5.491 1.00 0.00 C ATOM 101 CD ARG A 7 3.734 -2.008 4.567 1.00 0.00 C ATOM 102 NE ARG A 7 4.436 -2.602 3.434 1.00 0.00 N ATOM 103 CZ ARG A 7 5.754 -2.770 3.389 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.508 -2.387 4.411 1.00 0.00 N ATOM 105 NH2 ARG A 7 6.319 -3.318 2.322 1.00 0.00 N ATOM 0 H ARG A 7 2.257 -2.896 8.752 1.00 0.00 H new ATOM 0 HA ARG A 7 4.582 -1.401 7.993 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.907 -3.213 6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.472 -3.905 7.432 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.250 -4.046 5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.082 -2.881 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.935 -1.363 4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.422 -1.376 5.128 1.00 0.00 H new ATOM 0 HE ARG A 7 3.884 -2.905 2.631 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.077 -1.963 5.232 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.519 -2.516 4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.742 -3.612 1.534 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.330 -3.446 2.290 1.00 0.00 H new ATOM 119 N VAL A 8 1.691 -0.814 6.544 1.00 0.00 N ATOM 120 CA VAL A 8 0.978 0.134 5.706 1.00 0.00 C ATOM 121 C VAL A 8 0.977 1.525 6.328 1.00 0.00 C ATOM 122 O VAL A 8 1.318 2.512 5.676 1.00 0.00 O ATOM 123 CB VAL A 8 -0.478 -0.311 5.465 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.405 0.313 6.496 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.919 0.043 4.055 1.00 0.00 C ATOM 0 H VAL A 8 1.106 -1.546 6.947 1.00 0.00 H new ATOM 0 HA VAL A 8 1.502 0.167 4.751 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.530 -1.394 5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.428 -0.013 6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.101 0.001 7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.351 1.399 6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.949 -0.279 3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.852 1.122 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.273 -0.459 3.335 1.00 0.00 H new ATOM 135 N LEU A 9 0.595 1.592 7.599 1.00 0.00 N ATOM 136 CA LEU A 9 0.551 2.856 8.324 1.00 0.00 C ATOM 137 C LEU A 9 1.953 3.418 8.526 1.00 0.00 C ATOM 138 O LEU A 9 2.185 4.614 8.358 1.00 0.00 O ATOM 139 CB LEU A 9 -0.129 2.663 9.682 1.00 0.00 C ATOM 140 CG LEU A 9 0.820 2.360 10.843 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.500 3.632 11.323 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.069 1.691 11.984 1.00 0.00 C ATOM 0 H LEU A 9 0.310 0.782 8.150 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.024 3.566 7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.694 3.564 9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.849 1.849 9.599 1.00 0.00 H new ATOM 0 HG LEU A 9 1.589 1.674 10.489 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.171 3.396 12.149 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.072 4.070 10.505 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.746 4.343 11.660 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.759 1.483 12.801 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.722 2.353 12.337 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.370 0.757 11.633 1.00 0.00 H new ATOM 154 N GLU A 10 2.887 2.542 8.882 1.00 0.00 N ATOM 155 CA GLU A 10 4.269 2.941 9.105 1.00 0.00 C ATOM 156 C GLU A 10 4.898 3.423 7.810 1.00 0.00 C ATOM 157 O GLU A 10 5.747 4.314 7.803 1.00 0.00 O ATOM 158 CB GLU A 10 5.077 1.772 9.670 1.00 0.00 C ATOM 159 CG GLU A 10 5.346 0.675 8.652 1.00 0.00 C ATOM 160 CD GLU A 10 6.786 0.659 8.181 1.00 0.00 C ATOM 161 OE1 GLU A 10 7.528 1.611 8.506 1.00 0.00 O ATOM 162 OE2 GLU A 10 7.174 -0.304 7.486 1.00 0.00 O ATOM 0 H GLU A 10 2.709 1.547 9.022 1.00 0.00 H new ATOM 0 HA GLU A 10 4.277 3.758 9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.028 2.147 10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.541 1.346 10.519 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.100 -0.292 9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.688 0.811 7.794 1.00 0.00 H new ATOM 169 N VAL A 11 4.476 2.812 6.718 1.00 0.00 N ATOM 170 CA VAL A 11 4.987 3.147 5.400 1.00 0.00 C ATOM 171 C VAL A 11 4.753 4.612 5.064 1.00 0.00 C ATOM 172 O VAL A 11 5.686 5.344 4.732 1.00 0.00 O ATOM 173 CB VAL A 11 4.336 2.268 4.328 1.00 0.00 C ATOM 174 CG1 VAL A 11 3.958 3.093 3.110 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.254 1.118 3.952 1.00 0.00 C ATOM 0 H VAL A 11 3.773 2.073 6.718 1.00 0.00 H new ATOM 0 HA VAL A 11 6.061 2.964 5.416 1.00 0.00 H new ATOM 0 HB VAL A 11 3.419 1.845 4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.497 2.448 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.252 3.871 3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.853 3.553 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.775 0.504 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.192 1.514 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.455 0.510 4.834 1.00 0.00 H new ATOM 185 N VAL A 12 3.502 5.030 5.150 1.00 0.00 N ATOM 186 CA VAL A 12 3.132 6.409 4.855 1.00 0.00 C ATOM 187 C VAL A 12 3.699 7.370 5.895 1.00 0.00 C ATOM 188 O VAL A 12 4.311 8.383 5.551 1.00 0.00 O ATOM 189 CB VAL A 12 1.603 6.580 4.799 1.00 0.00 C ATOM 190 CG1 VAL A 12 0.920 5.615 5.756 1.00 0.00 C ATOM 191 CG2 VAL A 12 1.213 8.017 5.110 1.00 0.00 C ATOM 0 H VAL A 12 2.721 4.434 5.423 1.00 0.00 H new ATOM 0 HA VAL A 12 3.555 6.645 3.879 1.00 0.00 H new ATOM 0 HB VAL A 12 1.269 6.348 3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.160 5.752 5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.170 4.591 5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.259 5.810 6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.129 8.117 5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.561 8.280 6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.670 8.684 4.379 1.00 0.00 H new ATOM 201 N LYS A 13 3.492 7.047 7.167 1.00 0.00 N ATOM 202 CA LYS A 13 3.980 7.883 8.257 1.00 0.00 C ATOM 203 C LYS A 13 5.476 8.143 8.119 1.00 0.00 C ATOM 204 O LYS A 13 5.926 9.286 8.209 1.00 0.00 O ATOM 205 CB LYS A 13 3.687 7.222 9.604 1.00 0.00 C ATOM 206 CG LYS A 13 4.657 6.107 9.958 1.00 0.00 C ATOM 207 CD LYS A 13 4.269 5.426 11.259 1.00 0.00 C ATOM 208 CE LYS A 13 3.752 6.425 12.280 1.00 0.00 C ATOM 209 NZ LYS A 13 4.772 7.458 12.615 1.00 0.00 N ATOM 0 H LYS A 13 2.989 6.212 7.468 1.00 0.00 H new ATOM 0 HA LYS A 13 3.459 8.839 8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.718 7.981 10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.674 6.820 9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.678 5.372 9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.665 6.513 10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.503 4.675 11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.133 4.901 11.667 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.858 6.911 11.891 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.459 5.897 13.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.998 7.407 13.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.634 7.288 12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.397 8.402 12.392 1.00 0.00 H new ATOM 223 N ASN A 14 6.241 7.078 7.902 1.00 0.00 N ATOM 224 CA ASN A 14 7.680 7.193 7.755 1.00 0.00 C ATOM 225 C ASN A 14 8.056 7.562 6.325 1.00 0.00 C ATOM 226 O ASN A 14 9.230 7.762 6.012 1.00 0.00 O ATOM 227 CB ASN A 14 8.364 5.883 8.151 1.00 0.00 C ATOM 228 CG ASN A 14 7.852 5.339 9.471 1.00 0.00 C ATOM 229 OD1 ASN A 14 8.002 5.970 10.516 1.00 0.00 O ATOM 230 ND2 ASN A 14 7.246 4.158 9.427 1.00 0.00 N ATOM 0 H ASN A 14 5.884 6.126 7.825 1.00 0.00 H new ATOM 0 HA ASN A 14 8.022 7.988 8.418 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.203 5.141 7.369 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.440 6.045 8.221 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.883 3.739 10.283 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.144 3.670 8.537 1.00 0.00 H new ATOM 237 N PHE A 15 7.053 7.657 5.459 1.00 0.00 N ATOM 238 CA PHE A 15 7.280 8.008 4.065 1.00 0.00 C ATOM 239 C PHE A 15 7.685 9.471 3.941 1.00 0.00 C ATOM 240 O PHE A 15 8.305 9.876 2.957 1.00 0.00 O ATOM 241 CB PHE A 15 6.024 7.738 3.234 1.00 0.00 C ATOM 242 CG PHE A 15 6.215 6.678 2.186 1.00 0.00 C ATOM 243 CD1 PHE A 15 7.382 6.624 1.443 1.00 0.00 C ATOM 244 CD2 PHE A 15 5.227 5.738 1.946 1.00 0.00 C ATOM 245 CE1 PHE A 15 7.562 5.651 0.478 1.00 0.00 C ATOM 246 CE2 PHE A 15 5.400 4.761 0.983 1.00 0.00 C ATOM 247 CZ PHE A 15 6.569 4.718 0.249 1.00 0.00 C ATOM 0 H PHE A 15 6.075 7.495 5.700 1.00 0.00 H new ATOM 0 HA PHE A 15 8.092 7.388 3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.215 7.438 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.712 8.664 2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.161 7.351 1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.311 5.768 2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.477 5.620 -0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.622 4.033 0.805 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.707 3.956 -0.503 1.00 0.00 H new ATOM 257 N GLU A 16 7.329 10.257 4.951 1.00 0.00 N ATOM 258 CA GLU A 16 7.653 11.679 4.970 1.00 0.00 C ATOM 259 C GLU A 16 6.421 12.522 4.657 1.00 0.00 C ATOM 260 O GLU A 16 6.452 13.747 4.761 1.00 0.00 O ATOM 261 CB GLU A 16 8.767 11.988 3.969 1.00 0.00 C ATOM 262 CG GLU A 16 8.264 12.297 2.572 1.00 0.00 C ATOM 263 CD GLU A 16 8.648 13.687 2.107 1.00 0.00 C ATOM 264 OE1 GLU A 16 8.234 14.668 2.760 1.00 0.00 O ATOM 265 OE2 GLU A 16 9.365 13.796 1.089 1.00 0.00 O ATOM 0 H GLU A 16 6.814 9.932 5.770 1.00 0.00 H new ATOM 0 HA GLU A 16 7.999 11.932 5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.345 12.837 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.446 11.137 3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.665 11.561 1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.179 12.198 2.551 1.00 0.00 H new ATOM 272 N LYS A 17 5.337 11.856 4.273 1.00 0.00 N ATOM 273 CA LYS A 17 4.095 12.544 3.947 1.00 0.00 C ATOM 274 C LYS A 17 3.518 13.234 5.179 1.00 0.00 C ATOM 275 O LYS A 17 3.160 14.410 5.131 1.00 0.00 O ATOM 276 CB LYS A 17 3.073 11.557 3.375 1.00 0.00 C ATOM 277 CG LYS A 17 3.612 10.704 2.241 1.00 0.00 C ATOM 278 CD LYS A 17 4.823 11.349 1.596 1.00 0.00 C ATOM 279 CE LYS A 17 4.514 12.764 1.141 1.00 0.00 C ATOM 280 NZ LYS A 17 4.306 12.842 -0.331 1.00 0.00 N ATOM 0 H LYS A 17 5.294 10.841 4.180 1.00 0.00 H new ATOM 0 HA LYS A 17 4.315 13.302 3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.726 10.903 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.206 12.113 3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.881 9.718 2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.834 10.556 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.651 11.365 2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.145 10.752 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.621 13.123 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.333 13.424 1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.064 13.818 -0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.178 12.556 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.530 12.206 -0.606 1.00 0.00 H new ATOM 294 N VAL A 18 3.431 12.495 6.281 1.00 0.00 N ATOM 295 CA VAL A 18 2.898 13.038 7.523 1.00 0.00 C ATOM 296 C VAL A 18 2.814 11.963 8.602 1.00 0.00 C ATOM 297 O VAL A 18 2.684 10.777 8.300 1.00 0.00 O ATOM 298 CB VAL A 18 1.500 13.650 7.315 1.00 0.00 C ATOM 299 CG1 VAL A 18 1.588 15.167 7.227 1.00 0.00 C ATOM 300 CG2 VAL A 18 0.846 13.074 6.070 1.00 0.00 C ATOM 0 H VAL A 18 3.723 11.519 6.338 1.00 0.00 H new ATOM 0 HA VAL A 18 3.585 13.821 7.846 1.00 0.00 H new ATOM 0 HB VAL A 18 0.880 13.395 8.174 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.591 15.581 7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.012 15.561 8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.224 15.446 6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.141 13.518 5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.463 13.296 5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.747 11.994 6.178 1.00 0.00 H new ATOM 310 N ASP A 19 2.887 12.388 9.859 1.00 0.00 N ATOM 311 CA ASP A 19 2.818 11.462 10.982 1.00 0.00 C ATOM 312 C ASP A 19 1.444 10.806 11.062 1.00 0.00 C ATOM 313 O ASP A 19 0.434 11.480 11.254 1.00 0.00 O ATOM 314 CB ASP A 19 3.125 12.192 12.291 1.00 0.00 C ATOM 315 CG ASP A 19 4.370 13.053 12.195 1.00 0.00 C ATOM 316 OD1 ASP A 19 4.284 14.157 11.617 1.00 0.00 O ATOM 317 OD2 ASP A 19 5.428 12.623 12.699 1.00 0.00 O ATOM 0 H ASP A 19 2.994 13.367 10.125 1.00 0.00 H new ATOM 0 HA ASP A 19 3.564 10.683 10.825 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.275 12.817 12.563 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.253 11.462 13.090 1.00 0.00 H new ATOM 322 N ALA A 20 1.413 9.487 10.914 1.00 0.00 N ATOM 323 CA ALA A 20 0.162 8.742 10.968 1.00 0.00 C ATOM 324 C ALA A 20 -0.583 9.003 12.273 1.00 0.00 C ATOM 325 O ALA A 20 -1.757 8.659 12.409 1.00 0.00 O ATOM 326 CB ALA A 20 0.428 7.254 10.805 1.00 0.00 C ATOM 0 H ALA A 20 2.240 8.912 10.756 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.467 9.084 10.147 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.515 6.709 10.847 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.909 7.073 9.843 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.081 6.911 11.607 1.00 0.00 H new ATOM 332 N SER A 21 0.109 9.602 13.237 1.00 0.00 N ATOM 333 CA SER A 21 -0.485 9.894 14.535 1.00 0.00 C ATOM 334 C SER A 21 -1.590 10.940 14.418 1.00 0.00 C ATOM 335 O SER A 21 -2.441 11.056 15.300 1.00 0.00 O ATOM 336 CB SER A 21 0.586 10.375 15.514 1.00 0.00 C ATOM 337 OG SER A 21 1.366 11.414 14.948 1.00 0.00 O ATOM 0 H SER A 21 1.082 9.894 13.143 1.00 0.00 H new ATOM 0 HA SER A 21 -0.928 8.972 14.912 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.113 10.729 16.430 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.231 9.541 15.790 1.00 0.00 H new ATOM 0 HG SER A 21 2.042 11.705 15.595 1.00 0.00 H new ATOM 343 N LYS A 22 -1.580 11.695 13.325 1.00 0.00 N ATOM 344 CA LYS A 22 -2.589 12.719 13.103 1.00 0.00 C ATOM 345 C LYS A 22 -3.763 12.147 12.321 1.00 0.00 C ATOM 346 O LYS A 22 -4.659 12.877 11.896 1.00 0.00 O ATOM 347 CB LYS A 22 -1.997 13.918 12.357 1.00 0.00 C ATOM 348 CG LYS A 22 -0.992 13.538 11.284 1.00 0.00 C ATOM 349 CD LYS A 22 -1.538 12.453 10.368 1.00 0.00 C ATOM 350 CE LYS A 22 -2.598 13.001 9.426 1.00 0.00 C ATOM 351 NZ LYS A 22 -3.876 12.246 9.530 1.00 0.00 N ATOM 0 H LYS A 22 -0.886 11.616 12.582 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.943 13.059 14.076 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.807 14.484 11.898 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.514 14.579 13.076 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.737 14.419 10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.071 13.191 11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.723 12.021 9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.964 11.649 10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.778 14.052 9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.231 12.955 8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.325 12.193 8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.684 11.284 9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.513 12.732 10.193 1.00 0.00 H new ATOM 365 N VAL A 23 -3.745 10.834 12.132 1.00 0.00 N ATOM 366 CA VAL A 23 -4.795 10.149 11.400 1.00 0.00 C ATOM 367 C VAL A 23 -5.922 9.706 12.328 1.00 0.00 C ATOM 368 O VAL A 23 -5.689 9.002 13.311 1.00 0.00 O ATOM 369 CB VAL A 23 -4.239 8.921 10.655 1.00 0.00 C ATOM 370 CG1 VAL A 23 -4.952 7.653 11.098 1.00 0.00 C ATOM 371 CG2 VAL A 23 -4.356 9.115 9.151 1.00 0.00 C ATOM 0 H VAL A 23 -3.008 10.221 12.480 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.193 10.859 10.675 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.183 8.815 10.904 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.543 6.798 10.559 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.807 7.509 12.169 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.017 7.741 10.884 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.959 8.239 8.639 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.404 9.249 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.789 9.997 8.853 1.00 0.00 H new ATOM 381 N THR A 24 -7.143 10.121 12.008 1.00 0.00 N ATOM 382 CA THR A 24 -8.303 9.771 12.803 1.00 0.00 C ATOM 383 C THR A 24 -9.178 8.759 12.069 1.00 0.00 C ATOM 384 O THR A 24 -8.978 8.496 10.883 1.00 0.00 O ATOM 385 CB THR A 24 -9.115 11.022 13.142 1.00 0.00 C ATOM 386 OG1 THR A 24 -9.263 11.158 14.544 1.00 0.00 O ATOM 387 CG2 THR A 24 -10.500 11.023 12.532 1.00 0.00 C ATOM 0 H THR A 24 -7.350 10.704 11.197 1.00 0.00 H new ATOM 0 HA THR A 24 -7.954 9.316 13.730 1.00 0.00 H new ATOM 0 HB THR A 24 -8.551 11.854 12.721 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.784 11.965 14.741 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.021 11.939 12.813 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.419 10.970 11.446 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.059 10.161 12.897 1.00 0.00 H new ATOM 395 N PRO A 25 -10.161 8.176 12.769 1.00 0.00 N ATOM 396 CA PRO A 25 -11.072 7.186 12.184 1.00 0.00 C ATOM 397 C PRO A 25 -11.839 7.746 10.991 1.00 0.00 C ATOM 398 O PRO A 25 -12.110 7.033 10.024 1.00 0.00 O ATOM 399 CB PRO A 25 -12.035 6.847 13.330 1.00 0.00 C ATOM 400 CG PRO A 25 -11.884 7.960 14.312 1.00 0.00 C ATOM 401 CD PRO A 25 -10.465 8.435 14.183 1.00 0.00 C ATOM 0 HA PRO A 25 -10.534 6.319 11.801 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.062 6.774 12.972 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.786 5.887 13.782 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.586 8.766 14.099 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.090 7.617 15.326 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.369 9.492 14.430 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.794 7.890 14.847 1.00 0.00 H new ATOM 409 N GLU A 26 -12.181 9.028 11.062 1.00 0.00 N ATOM 410 CA GLU A 26 -12.909 9.686 9.992 1.00 0.00 C ATOM 411 C GLU A 26 -11.982 10.582 9.179 1.00 0.00 C ATOM 412 O GLU A 26 -12.435 11.404 8.381 1.00 0.00 O ATOM 413 CB GLU A 26 -14.066 10.509 10.561 1.00 0.00 C ATOM 414 CG GLU A 26 -15.341 9.706 10.768 1.00 0.00 C ATOM 415 CD GLU A 26 -16.533 10.581 11.103 1.00 0.00 C ATOM 416 OE1 GLU A 26 -16.381 11.497 11.939 1.00 0.00 O ATOM 417 OE2 GLU A 26 -17.618 10.349 10.529 1.00 0.00 O ATOM 0 H GLU A 26 -11.963 9.631 11.855 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.313 8.917 9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.760 10.940 11.514 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.275 11.340 9.887 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.557 9.135 9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.186 8.986 11.572 1.00 0.00 H new ATOM 424 N SER A 27 -10.680 10.421 9.390 1.00 0.00 N ATOM 425 CA SER A 27 -9.683 11.215 8.682 1.00 0.00 C ATOM 426 C SER A 27 -9.738 10.954 7.180 1.00 0.00 C ATOM 427 O SER A 27 -9.783 9.806 6.740 1.00 0.00 O ATOM 428 CB SER A 27 -8.283 10.904 9.214 1.00 0.00 C ATOM 429 OG SER A 27 -7.322 10.945 8.174 1.00 0.00 O ATOM 0 H SER A 27 -10.290 9.746 10.048 1.00 0.00 H new ATOM 0 HA SER A 27 -9.907 12.268 8.855 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.017 11.624 9.988 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.278 9.918 9.679 1.00 0.00 H new ATOM 0 HG SER A 27 -6.456 11.222 8.540 1.00 0.00 H new ATOM 435 N HIS A 28 -9.732 12.030 6.400 1.00 0.00 N ATOM 436 CA HIS A 28 -9.780 11.925 4.953 1.00 0.00 C ATOM 437 C HIS A 28 -8.402 11.597 4.388 1.00 0.00 C ATOM 438 O HIS A 28 -7.380 11.985 4.954 1.00 0.00 O ATOM 439 CB HIS A 28 -10.299 13.228 4.341 1.00 0.00 C ATOM 440 CG HIS A 28 -11.667 13.105 3.745 1.00 0.00 C ATOM 441 ND1 HIS A 28 -12.803 12.906 4.503 1.00 0.00 N ATOM 442 CD2 HIS A 28 -12.081 13.155 2.457 1.00 0.00 C ATOM 443 CE1 HIS A 28 -13.854 12.838 3.706 1.00 0.00 C ATOM 444 NE2 HIS A 28 -13.444 12.987 2.460 1.00 0.00 N ATOM 0 H HIS A 28 -9.694 12.987 6.751 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.463 11.115 4.694 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.315 14.000 5.110 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.604 13.560 3.570 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -11.456 13.300 1.589 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.876 12.686 4.020 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -14.042 12.979 1.634 1.00 0.00 H new ATOM 453 N PHE A 29 -8.380 10.880 3.270 1.00 0.00 N ATOM 454 CA PHE A 29 -7.126 10.500 2.633 1.00 0.00 C ATOM 455 C PHE A 29 -6.408 11.722 2.071 1.00 0.00 C ATOM 456 O PHE A 29 -6.343 12.767 2.718 1.00 0.00 O ATOM 457 CB PHE A 29 -7.384 9.485 1.517 1.00 0.00 C ATOM 458 CG PHE A 29 -6.268 8.497 1.336 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.956 8.857 1.599 1.00 0.00 C ATOM 460 CD2 PHE A 29 -6.530 7.207 0.902 1.00 0.00 C ATOM 461 CE1 PHE A 29 -3.928 7.949 1.432 1.00 0.00 C ATOM 462 CE2 PHE A 29 -5.506 6.295 0.734 1.00 0.00 C ATOM 463 CZ PHE A 29 -4.202 6.667 0.999 1.00 0.00 C ATOM 0 H PHE A 29 -9.216 10.551 2.787 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.487 10.043 3.389 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.305 8.945 1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.541 10.019 0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.735 9.858 1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.547 6.911 0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.910 8.242 1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.724 5.293 0.396 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.399 5.957 0.868 1.00 0.00 H new ATOM 473 N VAL A 30 -5.868 11.585 0.866 1.00 0.00 N ATOM 474 CA VAL A 30 -5.153 12.680 0.221 1.00 0.00 C ATOM 475 C VAL A 30 -5.795 14.021 0.545 1.00 0.00 C ATOM 476 O VAL A 30 -5.118 15.046 0.630 1.00 0.00 O ATOM 477 CB VAL A 30 -5.103 12.502 -1.307 1.00 0.00 C ATOM 478 CG1 VAL A 30 -3.748 12.928 -1.852 1.00 0.00 C ATOM 479 CG2 VAL A 30 -5.409 11.060 -1.687 1.00 0.00 C ATOM 0 H VAL A 30 -5.911 10.727 0.316 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.135 12.663 0.611 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.865 13.141 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.733 12.795 -2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.573 13.977 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.966 12.318 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.369 10.953 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.673 10.399 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.405 10.794 -1.333 1.00 0.00 H new ATOM 489 N LYS A 31 -7.106 14.002 0.722 1.00 0.00 N ATOM 490 CA LYS A 31 -7.860 15.212 1.036 1.00 0.00 C ATOM 491 C LYS A 31 -7.422 15.799 2.374 1.00 0.00 C ATOM 492 O LYS A 31 -7.210 17.006 2.494 1.00 0.00 O ATOM 493 CB LYS A 31 -9.360 14.909 1.067 1.00 0.00 C ATOM 494 CG LYS A 31 -9.883 14.294 -0.221 1.00 0.00 C ATOM 495 CD LYS A 31 -9.056 14.726 -1.421 1.00 0.00 C ATOM 496 CE LYS A 31 -8.964 16.240 -1.517 1.00 0.00 C ATOM 497 NZ LYS A 31 -9.899 16.791 -2.537 1.00 0.00 N ATOM 0 H LYS A 31 -7.676 13.159 0.654 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.658 15.946 0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.568 14.231 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.905 15.832 1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.867 13.207 -0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.922 14.587 -0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.054 14.303 -1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.501 14.329 -2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.188 16.679 -0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.943 16.526 -1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.805 17.826 -2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.670 16.392 -3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.876 16.540 -2.284 1.00 0.00 H new ATOM 511 N ASP A 32 -7.293 14.938 3.377 1.00 0.00 N ATOM 512 CA ASP A 32 -6.885 15.364 4.704 1.00 0.00 C ATOM 513 C ASP A 32 -5.366 15.396 4.822 1.00 0.00 C ATOM 514 O ASP A 32 -4.821 15.531 5.918 1.00 0.00 O ATOM 515 CB ASP A 32 -7.473 14.433 5.766 1.00 0.00 C ATOM 516 CG ASP A 32 -7.703 15.137 7.089 1.00 0.00 C ATOM 517 OD1 ASP A 32 -7.731 16.385 7.101 1.00 0.00 O ATOM 518 OD2 ASP A 32 -7.854 14.440 8.114 1.00 0.00 O ATOM 0 H ASP A 32 -7.467 13.937 3.292 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.265 16.373 4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.418 14.026 5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.800 13.589 5.919 1.00 0.00 H new ATOM 523 N LEU A 33 -4.689 15.264 3.685 1.00 0.00 N ATOM 524 CA LEU A 33 -3.232 15.270 3.652 1.00 0.00 C ATOM 525 C LEU A 33 -2.692 13.854 3.488 1.00 0.00 C ATOM 526 O LEU A 33 -1.716 13.472 4.132 1.00 0.00 O ATOM 527 CB LEU A 33 -2.668 15.900 4.922 1.00 0.00 C ATOM 528 CG LEU A 33 -1.348 16.652 4.740 1.00 0.00 C ATOM 529 CD1 LEU A 33 -1.176 17.697 5.831 1.00 0.00 C ATOM 530 CD2 LEU A 33 -0.178 15.680 4.740 1.00 0.00 C ATOM 0 H LEU A 33 -5.129 15.151 2.772 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.916 15.866 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.409 16.589 5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.522 15.116 5.665 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.371 17.162 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.232 18.222 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.999 18.410 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.174 17.209 6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.753 16.231 4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.152 15.142 5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.296 14.969 3.923 1.00 0.00 H new ATOM 542 N GLY A 34 -3.339 13.083 2.621 1.00 0.00 N ATOM 543 CA GLY A 34 -2.917 11.716 2.385 1.00 0.00 C ATOM 544 C GLY A 34 -1.589 11.633 1.658 1.00 0.00 C ATOM 545 O GLY A 34 -0.892 12.636 1.506 1.00 0.00 O ATOM 0 H GLY A 34 -4.149 13.381 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.838 11.194 3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.679 11.200 1.801 1.00 0.00 H new ATOM 549 N LEU A 35 -1.240 10.433 1.208 1.00 0.00 N ATOM 550 CA LEU A 35 0.012 10.217 0.493 1.00 0.00 C ATOM 551 C LEU A 35 0.008 10.945 -0.846 1.00 0.00 C ATOM 552 O LEU A 35 -0.942 10.835 -1.621 1.00 0.00 O ATOM 553 CB LEU A 35 0.243 8.720 0.274 1.00 0.00 C ATOM 554 CG LEU A 35 -0.416 7.806 1.308 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.360 6.505 1.443 1.00 0.00 C ATOM 556 CD2 LEU A 35 -0.519 8.510 2.653 1.00 0.00 C ATOM 0 H LEU A 35 -1.808 9.594 1.326 1.00 0.00 H new ATOM 0 HA LEU A 35 0.823 10.619 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.128 8.451 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.316 8.529 0.274 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.424 7.570 0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.124 5.868 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.381 5.993 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.380 6.721 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.990 7.845 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.479 8.777 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.119 9.413 2.546 1.00 0.00 H new ATOM 568 N ASN A 36 1.077 11.687 -1.114 1.00 0.00 N ATOM 569 CA ASN A 36 1.198 12.433 -2.360 1.00 0.00 C ATOM 570 C ASN A 36 1.224 11.489 -3.557 1.00 0.00 C ATOM 571 O ASN A 36 1.048 10.279 -3.409 1.00 0.00 O ATOM 572 CB ASN A 36 2.465 13.291 -2.345 1.00 0.00 C ATOM 573 CG ASN A 36 2.411 14.422 -3.353 1.00 0.00 C ATOM 574 OD1 ASN A 36 1.709 15.413 -3.155 1.00 0.00 O ATOM 575 ND2 ASN A 36 3.155 14.277 -4.444 1.00 0.00 N ATOM 0 H ASN A 36 1.873 11.788 -0.484 1.00 0.00 H new ATOM 0 HA ASN A 36 0.328 13.084 -2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.608 13.705 -1.347 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.329 12.661 -2.556 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.159 15.005 -5.159 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.722 13.438 -4.567 1.00 0.00 H new ATOM 582 N SER A 37 1.448 12.045 -4.742 1.00 0.00 N ATOM 583 CA SER A 37 1.500 11.249 -5.962 1.00 0.00 C ATOM 584 C SER A 37 2.668 10.276 -5.918 1.00 0.00 C ATOM 585 O SER A 37 2.486 9.059 -5.963 1.00 0.00 O ATOM 586 CB SER A 37 1.620 12.156 -7.187 1.00 0.00 C ATOM 587 OG SER A 37 0.558 11.928 -8.098 1.00 0.00 O ATOM 0 H SER A 37 1.597 13.044 -4.884 1.00 0.00 H new ATOM 0 HA SER A 37 0.574 10.679 -6.036 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.615 13.200 -6.872 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.574 11.977 -7.684 1.00 0.00 H new ATOM 592 N LEU A 38 3.866 10.828 -5.827 1.00 0.00 N ATOM 593 CA LEU A 38 5.080 10.025 -5.772 1.00 0.00 C ATOM 594 C LEU A 38 5.049 9.080 -4.579 1.00 0.00 C ATOM 595 O LEU A 38 5.597 7.978 -4.626 1.00 0.00 O ATOM 596 CB LEU A 38 6.311 10.932 -5.693 1.00 0.00 C ATOM 597 CG LEU A 38 6.605 11.513 -4.308 1.00 0.00 C ATOM 598 CD1 LEU A 38 5.437 12.359 -3.824 1.00 0.00 C ATOM 599 CD2 LEU A 38 6.907 10.401 -3.315 1.00 0.00 C ATOM 0 H LEU A 38 4.026 11.835 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 38 5.137 9.428 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.182 10.366 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.181 11.756 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 38 7.484 12.153 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.665 12.763 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.268 13.179 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.541 11.742 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.114 10.834 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.048 9.734 -3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.776 9.837 -3.653 1.00 0.00 H new ATOM 611 N ASP A 39 4.397 9.519 -3.511 1.00 0.00 N ATOM 612 CA ASP A 39 4.285 8.716 -2.302 1.00 0.00 C ATOM 613 C ASP A 39 3.330 7.549 -2.515 1.00 0.00 C ATOM 614 O ASP A 39 3.755 6.416 -2.729 1.00 0.00 O ATOM 615 CB ASP A 39 3.817 9.578 -1.127 1.00 0.00 C ATOM 616 CG ASP A 39 4.084 8.920 0.213 1.00 0.00 C ATOM 617 OD1 ASP A 39 5.259 8.610 0.499 1.00 0.00 O ATOM 618 OD2 ASP A 39 3.117 8.715 0.976 1.00 0.00 O ATOM 0 H ASP A 39 3.937 10.428 -3.458 1.00 0.00 H new ATOM 0 HA ASP A 39 5.271 8.314 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.323 10.543 -1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.749 9.775 -1.226 1.00 0.00 H new ATOM 623 N VAL A 40 2.040 7.838 -2.456 1.00 0.00 N ATOM 624 CA VAL A 40 1.018 6.816 -2.642 1.00 0.00 C ATOM 625 C VAL A 40 1.494 5.727 -3.598 1.00 0.00 C ATOM 626 O VAL A 40 1.231 4.545 -3.386 1.00 0.00 O ATOM 627 CB VAL A 40 -0.296 7.419 -3.174 1.00 0.00 C ATOM 628 CG1 VAL A 40 -0.627 6.863 -4.552 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.435 7.156 -2.200 1.00 0.00 C ATOM 0 H VAL A 40 1.673 8.774 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 40 0.832 6.376 -1.662 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.165 8.497 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.559 7.303 -4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.178 7.107 -5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.737 5.780 -4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.356 7.589 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.564 6.081 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.202 7.609 -1.237 1.00 0.00 H new ATOM 639 N VAL A 41 2.198 6.133 -4.650 1.00 0.00 N ATOM 640 CA VAL A 41 2.709 5.187 -5.633 1.00 0.00 C ATOM 641 C VAL A 41 3.746 4.256 -5.011 1.00 0.00 C ATOM 642 O VAL A 41 3.711 3.043 -5.219 1.00 0.00 O ATOM 643 CB VAL A 41 3.337 5.905 -6.841 1.00 0.00 C ATOM 644 CG1 VAL A 41 2.299 6.758 -7.554 1.00 0.00 C ATOM 645 CG2 VAL A 41 4.524 6.750 -6.405 1.00 0.00 C ATOM 0 H VAL A 41 2.427 7.108 -4.842 1.00 0.00 H new ATOM 0 HA VAL A 41 1.856 4.602 -5.977 1.00 0.00 H new ATOM 0 HB VAL A 41 3.697 5.151 -7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.761 7.258 -8.405 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.485 6.123 -7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.906 7.505 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.954 7.249 -7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.193 7.497 -5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.277 6.110 -5.945 1.00 0.00 H new ATOM 655 N GLU A 42 4.668 4.829 -4.244 1.00 0.00 N ATOM 656 CA GLU A 42 5.709 4.043 -3.594 1.00 0.00 C ATOM 657 C GLU A 42 5.104 3.113 -2.553 1.00 0.00 C ATOM 658 O GLU A 42 5.527 1.967 -2.401 1.00 0.00 O ATOM 659 CB GLU A 42 6.744 4.961 -2.944 1.00 0.00 C ATOM 660 CG GLU A 42 7.863 5.372 -3.885 1.00 0.00 C ATOM 661 CD GLU A 42 9.187 5.562 -3.170 1.00 0.00 C ATOM 662 OE1 GLU A 42 9.384 6.634 -2.561 1.00 0.00 O ATOM 663 OE2 GLU A 42 10.026 4.637 -3.219 1.00 0.00 O ATOM 0 H GLU A 42 4.715 5.831 -4.058 1.00 0.00 H new ATOM 0 HA GLU A 42 6.206 3.439 -4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.243 5.856 -2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.174 4.456 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.978 4.614 -4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.589 6.300 -4.386 1.00 0.00 H new ATOM 670 N VAL A 43 4.107 3.620 -1.846 1.00 0.00 N ATOM 671 CA VAL A 43 3.421 2.853 -0.819 1.00 0.00 C ATOM 672 C VAL A 43 2.623 1.717 -1.438 1.00 0.00 C ATOM 673 O VAL A 43 2.561 0.614 -0.894 1.00 0.00 O ATOM 674 CB VAL A 43 2.481 3.743 0.016 1.00 0.00 C ATOM 675 CG1 VAL A 43 2.357 5.124 -0.608 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.121 3.095 0.166 1.00 0.00 C ATOM 0 H VAL A 43 3.752 4.569 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 43 4.185 2.441 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 43 2.912 3.857 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.689 5.738 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.340 5.593 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.953 5.033 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.474 3.741 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.679 2.944 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.230 2.133 0.666 1.00 0.00 H new ATOM 686 N VAL A 44 2.023 1.993 -2.588 1.00 0.00 N ATOM 687 CA VAL A 44 1.239 0.991 -3.294 1.00 0.00 C ATOM 688 C VAL A 44 2.106 -0.213 -3.624 1.00 0.00 C ATOM 689 O VAL A 44 1.649 -1.356 -3.582 1.00 0.00 O ATOM 690 CB VAL A 44 0.632 1.551 -4.594 1.00 0.00 C ATOM 691 CG1 VAL A 44 -0.171 2.811 -4.311 1.00 0.00 C ATOM 692 CG2 VAL A 44 1.718 1.822 -5.622 1.00 0.00 C ATOM 0 H VAL A 44 2.064 2.901 -3.051 1.00 0.00 H new ATOM 0 HA VAL A 44 0.422 0.694 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.044 0.802 -5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.592 3.191 -5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.978 2.580 -3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.480 3.567 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.267 2.217 -6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.424 2.549 -5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.243 0.894 -5.850 1.00 0.00 H new ATOM 702 N PHE A 45 3.370 0.052 -3.938 1.00 0.00 N ATOM 703 CA PHE A 45 4.315 -1.005 -4.258 1.00 0.00 C ATOM 704 C PHE A 45 4.666 -1.790 -3.004 1.00 0.00 C ATOM 705 O PHE A 45 4.816 -3.012 -3.034 1.00 0.00 O ATOM 706 CB PHE A 45 5.579 -0.416 -4.883 1.00 0.00 C ATOM 707 CG PHE A 45 5.813 -0.865 -6.295 1.00 0.00 C ATOM 708 CD1 PHE A 45 6.408 -2.088 -6.553 1.00 0.00 C ATOM 709 CD2 PHE A 45 5.439 -0.066 -7.363 1.00 0.00 C ATOM 710 CE1 PHE A 45 6.626 -2.509 -7.851 1.00 0.00 C ATOM 711 CE2 PHE A 45 5.654 -0.480 -8.664 1.00 0.00 C ATOM 712 CZ PHE A 45 6.248 -1.703 -8.908 1.00 0.00 C ATOM 0 H PHE A 45 3.762 0.993 -3.977 1.00 0.00 H new ATOM 0 HA PHE A 45 3.853 -1.680 -4.978 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.512 0.672 -4.862 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.439 -0.694 -4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.705 -2.721 -5.730 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.974 0.891 -7.177 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.091 -3.466 -8.039 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.358 0.152 -9.489 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.417 -2.029 -9.924 1.00 0.00 H new ATOM 722 N ALA A 46 4.786 -1.069 -1.898 1.00 0.00 N ATOM 723 CA ALA A 46 5.108 -1.675 -0.614 1.00 0.00 C ATOM 724 C ALA A 46 4.011 -2.634 -0.183 1.00 0.00 C ATOM 725 O ALA A 46 4.237 -3.835 -0.023 1.00 0.00 O ATOM 726 CB ALA A 46 5.319 -0.599 0.440 1.00 0.00 C ATOM 0 H ALA A 46 4.664 -0.057 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 46 6.033 -2.241 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.559 -1.067 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.140 0.050 0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.409 -0.008 0.544 1.00 0.00 H new ATOM 732 N ILE A 47 2.819 -2.089 -0.004 1.00 0.00 N ATOM 733 CA ILE A 47 1.668 -2.882 0.402 1.00 0.00 C ATOM 734 C ILE A 47 1.377 -3.973 -0.621 1.00 0.00 C ATOM 735 O ILE A 47 0.886 -5.047 -0.277 1.00 0.00 O ATOM 736 CB ILE A 47 0.412 -2.007 0.580 1.00 0.00 C ATOM 737 CG1 ILE A 47 0.283 -1.017 -0.580 1.00 0.00 C ATOM 738 CG2 ILE A 47 0.465 -1.274 1.911 1.00 0.00 C ATOM 739 CD1 ILE A 47 -0.281 0.327 -0.173 1.00 0.00 C ATOM 0 H ILE A 47 2.622 -1.097 -0.134 1.00 0.00 H new ATOM 0 HA ILE A 47 1.915 -3.338 1.361 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.467 -2.651 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.265 -0.868 -1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.357 -1.452 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.428 -0.660 2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.512 -1.999 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.349 -0.637 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.343 0.975 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.277 0.191 0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.370 0.784 0.572 1.00 0.00 H new ATOM 751 N GLU A 48 1.695 -3.697 -1.881 1.00 0.00 N ATOM 752 CA GLU A 48 1.472 -4.664 -2.946 1.00 0.00 C ATOM 753 C GLU A 48 2.162 -5.976 -2.611 1.00 0.00 C ATOM 754 O GLU A 48 1.654 -7.057 -2.912 1.00 0.00 O ATOM 755 CB GLU A 48 1.988 -4.122 -4.281 1.00 0.00 C ATOM 756 CG GLU A 48 0.883 -3.767 -5.262 1.00 0.00 C ATOM 757 CD GLU A 48 1.419 -3.234 -6.575 1.00 0.00 C ATOM 758 OE1 GLU A 48 2.030 -4.020 -7.330 1.00 0.00 O ATOM 759 OE2 GLU A 48 1.228 -2.030 -6.850 1.00 0.00 O ATOM 0 H GLU A 48 2.106 -2.815 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 48 0.400 -4.840 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.594 -3.236 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.642 -4.865 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.275 -4.651 -5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.228 -3.021 -4.812 1.00 0.00 H new ATOM 766 N GLN A 49 3.318 -5.868 -1.974 1.00 0.00 N ATOM 767 CA GLN A 49 4.085 -7.035 -1.576 1.00 0.00 C ATOM 768 C GLN A 49 3.460 -7.694 -0.349 1.00 0.00 C ATOM 769 O GLN A 49 3.407 -8.919 -0.249 1.00 0.00 O ATOM 770 CB GLN A 49 5.534 -6.645 -1.280 1.00 0.00 C ATOM 771 CG GLN A 49 6.080 -5.578 -2.214 1.00 0.00 C ATOM 772 CD GLN A 49 6.478 -6.136 -3.567 1.00 0.00 C ATOM 773 OE1 GLN A 49 6.514 -7.350 -3.764 1.00 0.00 O ATOM 774 NE2 GLN A 49 6.782 -5.248 -4.507 1.00 0.00 N ATOM 0 H GLN A 49 3.746 -4.978 -1.721 1.00 0.00 H new ATOM 0 HA GLN A 49 4.074 -7.749 -2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.602 -6.286 -0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.162 -7.533 -1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.327 -4.802 -2.352 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.946 -5.104 -1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.738 -4.250 -4.299 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.059 -5.564 -5.436 1.00 0.00 H new ATOM 783 N GLU A 50 2.989 -6.869 0.584 1.00 0.00 N ATOM 784 CA GLU A 50 2.373 -7.368 1.801 1.00 0.00 C ATOM 785 C GLU A 50 0.848 -7.317 1.714 1.00 0.00 C ATOM 786 O GLU A 50 0.169 -7.061 2.709 1.00 0.00 O ATOM 787 CB GLU A 50 2.853 -6.562 3.009 1.00 0.00 C ATOM 788 CG GLU A 50 1.995 -5.345 3.309 1.00 0.00 C ATOM 789 CD GLU A 50 1.505 -5.316 4.744 1.00 0.00 C ATOM 790 OE1 GLU A 50 2.261 -5.750 5.638 1.00 0.00 O ATOM 791 OE2 GLU A 50 0.365 -4.861 4.972 1.00 0.00 O ATOM 0 H GLU A 50 3.025 -5.852 0.516 1.00 0.00 H new ATOM 0 HA GLU A 50 2.672 -8.409 1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.868 -7.210 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.879 -6.238 2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.570 -4.441 3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.138 -5.335 2.636 1.00 0.00 H new ATOM 798 N PHE A 51 0.319 -7.566 0.521 1.00 0.00 N ATOM 799 CA PHE A 51 -1.121 -7.552 0.302 1.00 0.00 C ATOM 800 C PHE A 51 -1.514 -8.436 -0.882 1.00 0.00 C ATOM 801 O PHE A 51 -2.595 -9.024 -0.893 1.00 0.00 O ATOM 802 CB PHE A 51 -1.618 -6.124 0.067 1.00 0.00 C ATOM 803 CG PHE A 51 -1.877 -5.356 1.332 1.00 0.00 C ATOM 804 CD1 PHE A 51 -3.028 -5.579 2.067 1.00 0.00 C ATOM 805 CD2 PHE A 51 -0.970 -4.410 1.779 1.00 0.00 C ATOM 806 CE1 PHE A 51 -3.272 -4.869 3.228 1.00 0.00 C ATOM 807 CE2 PHE A 51 -1.208 -3.697 2.938 1.00 0.00 C ATOM 808 CZ PHE A 51 -2.359 -3.927 3.664 1.00 0.00 C ATOM 0 H PHE A 51 0.869 -7.781 -0.311 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.591 -7.951 1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.881 -5.586 -0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.536 -6.161 -0.519 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.743 -6.315 1.730 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.067 -4.228 1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.174 -5.050 3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.494 -2.960 3.276 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.546 -3.372 4.571 1.00 0.00 H new ATOM 818 N ILE A 52 -0.637 -8.522 -1.879 1.00 0.00 N ATOM 819 CA ILE A 52 -0.906 -9.330 -3.062 1.00 0.00 C ATOM 820 C ILE A 52 -2.082 -8.765 -3.851 1.00 0.00 C ATOM 821 O ILE A 52 -2.950 -9.506 -4.312 1.00 0.00 O ATOM 822 CB ILE A 52 -1.209 -10.792 -2.686 1.00 0.00 C ATOM 823 CG1 ILE A 52 -0.235 -11.274 -1.617 1.00 0.00 C ATOM 824 CG2 ILE A 52 -1.143 -11.685 -3.916 1.00 0.00 C ATOM 825 CD1 ILE A 52 -0.846 -11.350 -0.235 1.00 0.00 C ATOM 0 H ILE A 52 0.263 -8.043 -1.890 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.008 -9.302 -3.679 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.220 -10.845 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.139 -12.259 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.624 -10.603 -1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.360 -12.714 -3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.877 -11.350 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.145 -11.632 -4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.097 -11.700 0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.195 -10.361 0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.687 -12.043 -0.247 1.00 0.00 H new ATOM 837 N LEU A 53 -2.096 -7.445 -4.003 1.00 0.00 N ATOM 838 CA LEU A 53 -3.152 -6.767 -4.736 1.00 0.00 C ATOM 839 C LEU A 53 -2.750 -5.329 -5.052 1.00 0.00 C ATOM 840 O LEU A 53 -2.145 -4.648 -4.224 1.00 0.00 O ATOM 841 CB LEU A 53 -4.456 -6.782 -3.934 1.00 0.00 C ATOM 842 CG LEU A 53 -5.734 -6.746 -4.772 1.00 0.00 C ATOM 843 CD1 LEU A 53 -5.457 -7.231 -6.187 1.00 0.00 C ATOM 844 CD2 LEU A 53 -6.821 -7.586 -4.120 1.00 0.00 C ATOM 0 H LEU A 53 -1.382 -6.823 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.310 -7.299 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.472 -7.678 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.459 -5.926 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.083 -5.715 -4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.378 -7.199 -6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.710 -6.588 -6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.084 -8.255 -6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.724 -7.549 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.482 -8.618 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.038 -7.193 -3.127 1.00 0.00 H new ATOM 856 N ASP A 54 -3.080 -4.876 -6.257 1.00 0.00 N ATOM 857 CA ASP A 54 -2.745 -3.526 -6.681 1.00 0.00 C ATOM 858 C ASP A 54 -3.727 -2.509 -6.109 1.00 0.00 C ATOM 859 O ASP A 54 -4.923 -2.778 -5.999 1.00 0.00 O ATOM 860 CB ASP A 54 -2.733 -3.438 -8.208 1.00 0.00 C ATOM 861 CG ASP A 54 -1.957 -4.572 -8.847 1.00 0.00 C ATOM 862 OD1 ASP A 54 -0.859 -4.895 -8.347 1.00 0.00 O ATOM 863 OD2 ASP A 54 -2.446 -5.136 -9.849 1.00 0.00 O ATOM 0 H ASP A 54 -3.579 -5.426 -6.956 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.751 -3.292 -6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.758 -3.450 -8.578 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.296 -2.487 -8.511 1.00 0.00 H new ATOM 868 N ILE A 55 -3.210 -1.341 -5.742 1.00 0.00 N ATOM 869 CA ILE A 55 -4.031 -0.283 -5.180 1.00 0.00 C ATOM 870 C ILE A 55 -4.244 0.853 -6.178 1.00 0.00 C ATOM 871 O ILE A 55 -5.338 1.413 -6.270 1.00 0.00 O ATOM 872 CB ILE A 55 -3.405 0.291 -3.894 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.009 -0.839 -2.944 1.00 0.00 C ATOM 874 CG2 ILE A 55 -4.374 1.248 -3.214 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.649 -2.168 -3.285 1.00 0.00 C ATOM 0 H ILE A 55 -2.221 -1.106 -5.826 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.995 -0.732 -4.941 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.506 0.845 -4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.925 -0.952 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.286 -0.562 -1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.917 1.645 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.610 2.069 -3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.290 0.716 -2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.323 -2.923 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.734 -2.071 -3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.351 -2.468 -4.290 1.00 0.00 H new ATOM 887 N PRO A 56 -3.198 1.209 -6.938 1.00 0.00 N ATOM 888 CA PRO A 56 -3.271 2.285 -7.932 1.00 0.00 C ATOM 889 C PRO A 56 -4.459 2.128 -8.874 1.00 0.00 C ATOM 890 O PRO A 56 -5.371 1.343 -8.612 1.00 0.00 O ATOM 891 CB PRO A 56 -1.955 2.147 -8.700 1.00 0.00 C ATOM 892 CG PRO A 56 -1.020 1.512 -7.731 1.00 0.00 C ATOM 893 CD PRO A 56 -1.860 0.594 -6.888 1.00 0.00 C ATOM 0 HA PRO A 56 -3.408 3.261 -7.466 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.079 1.533 -9.592 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.585 3.118 -9.030 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.237 0.959 -8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.525 2.264 -7.116 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.869 -0.420 -7.287 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.485 0.532 -5.866 1.00 0.00 H new ATOM 901 N ASP A 57 -4.443 2.881 -9.969 1.00 0.00 N ATOM 902 CA ASP A 57 -5.521 2.825 -10.948 1.00 0.00 C ATOM 903 C ASP A 57 -6.851 3.218 -10.311 1.00 0.00 C ATOM 904 O ASP A 57 -6.901 3.593 -9.140 1.00 0.00 O ATOM 905 CB ASP A 57 -5.624 1.422 -11.548 1.00 0.00 C ATOM 906 CG ASP A 57 -4.490 0.519 -11.103 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.356 0.705 -11.594 1.00 0.00 O ATOM 908 OD2 ASP A 57 -4.735 -0.373 -10.265 1.00 0.00 O ATOM 0 H ASP A 57 -3.696 3.536 -10.200 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.294 3.534 -11.744 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.575 0.975 -11.259 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.622 1.494 -12.636 1.00 0.00 H new ATOM 913 N HIS A 58 -7.924 3.129 -11.089 1.00 0.00 N ATOM 914 CA HIS A 58 -9.252 3.475 -10.597 1.00 0.00 C ATOM 915 C HIS A 58 -9.453 2.965 -9.172 1.00 0.00 C ATOM 916 O HIS A 58 -10.301 3.469 -8.437 1.00 0.00 O ATOM 917 CB HIS A 58 -10.327 2.892 -11.516 1.00 0.00 C ATOM 918 CG HIS A 58 -10.523 3.674 -12.777 1.00 0.00 C ATOM 919 ND1 HIS A 58 -11.683 4.364 -13.064 1.00 0.00 N ATOM 920 CD2 HIS A 58 -9.698 3.875 -13.833 1.00 0.00 C ATOM 921 CE1 HIS A 58 -11.563 4.954 -14.240 1.00 0.00 C ATOM 922 NE2 HIS A 58 -10.369 4.674 -14.726 1.00 0.00 N ATOM 0 H HIS A 58 -7.900 2.821 -12.061 1.00 0.00 H new ATOM 0 HA HIS A 58 -9.339 4.561 -10.591 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.058 1.867 -11.772 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.272 2.848 -10.974 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.699 3.481 -13.950 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.315 5.562 -14.722 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -10.003 4.999 -15.621 1.00 0.00 H new ATOM 931 N ASP A 59 -8.669 1.962 -8.793 1.00 0.00 N ATOM 932 CA ASP A 59 -8.761 1.382 -7.461 1.00 0.00 C ATOM 933 C ASP A 59 -8.284 2.370 -6.401 1.00 0.00 C ATOM 934 O ASP A 59 -8.924 2.539 -5.363 1.00 0.00 O ATOM 935 CB ASP A 59 -7.936 0.096 -7.382 1.00 0.00 C ATOM 936 CG ASP A 59 -8.699 -1.112 -7.889 1.00 0.00 C ATOM 937 OD1 ASP A 59 -9.382 -0.990 -8.927 1.00 0.00 O ATOM 938 OD2 ASP A 59 -8.613 -2.181 -7.247 1.00 0.00 O ATOM 0 H ASP A 59 -7.962 1.534 -9.391 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.808 1.147 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.023 0.217 -7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.634 -0.076 -6.349 1.00 0.00 H new ATOM 943 N ALA A 60 -7.156 3.020 -6.668 1.00 0.00 N ATOM 944 CA ALA A 60 -6.596 3.989 -5.738 1.00 0.00 C ATOM 945 C ALA A 60 -7.420 5.271 -5.717 1.00 0.00 C ATOM 946 O ALA A 60 -7.384 6.031 -4.749 1.00 0.00 O ATOM 947 CB ALA A 60 -5.149 4.294 -6.098 1.00 0.00 C ATOM 0 H ALA A 60 -6.613 2.892 -7.522 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.625 3.554 -4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.744 5.020 -5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.562 3.377 -6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.104 4.703 -7.107 1.00 0.00 H new ATOM 953 N GLU A 61 -8.164 5.502 -6.793 1.00 0.00 N ATOM 954 CA GLU A 61 -9.000 6.688 -6.904 1.00 0.00 C ATOM 955 C GLU A 61 -10.303 6.510 -6.130 1.00 0.00 C ATOM 956 O GLU A 61 -10.900 7.483 -5.670 1.00 0.00 O ATOM 957 CB GLU A 61 -9.303 6.989 -8.373 1.00 0.00 C ATOM 958 CG GLU A 61 -8.105 6.804 -9.291 1.00 0.00 C ATOM 959 CD GLU A 61 -7.177 8.003 -9.285 1.00 0.00 C ATOM 960 OE1 GLU A 61 -7.670 9.135 -9.100 1.00 0.00 O ATOM 961 OE2 GLU A 61 -5.956 7.809 -9.465 1.00 0.00 O ATOM 0 H GLU A 61 -8.204 4.881 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.454 7.528 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.112 6.340 -8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.661 8.015 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.550 5.918 -8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.455 6.625 -10.308 1.00 0.00 H new ATOM 968 N LYS A 62 -10.737 5.262 -5.993 1.00 0.00 N ATOM 969 CA LYS A 62 -11.969 4.954 -5.278 1.00 0.00 C ATOM 970 C LYS A 62 -11.787 5.126 -3.773 1.00 0.00 C ATOM 971 O LYS A 62 -12.643 4.724 -2.986 1.00 0.00 O ATOM 972 CB LYS A 62 -12.419 3.525 -5.588 1.00 0.00 C ATOM 973 CG LYS A 62 -13.028 3.367 -6.971 1.00 0.00 C ATOM 974 CD LYS A 62 -13.764 4.626 -7.404 1.00 0.00 C ATOM 975 CE LYS A 62 -14.936 4.300 -8.316 1.00 0.00 C ATOM 976 NZ LYS A 62 -15.385 5.490 -9.089 1.00 0.00 N ATOM 0 H LYS A 62 -10.253 4.447 -6.368 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.736 5.652 -5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.563 2.856 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.148 3.212 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.243 3.138 -7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.718 2.523 -6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.124 5.159 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.074 5.293 -7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.650 3.506 -9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.766 3.920 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.185 5.226 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.683 6.239 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.601 5.837 -9.678 1.00 0.00 H new ATOM 990 N ILE A 63 -10.668 5.726 -3.380 1.00 0.00 N ATOM 991 CA ILE A 63 -10.375 5.948 -1.975 1.00 0.00 C ATOM 992 C ILE A 63 -10.531 7.420 -1.607 1.00 0.00 C ATOM 993 O ILE A 63 -9.877 8.287 -2.185 1.00 0.00 O ATOM 994 CB ILE A 63 -8.949 5.487 -1.617 1.00 0.00 C ATOM 995 CG1 ILE A 63 -8.971 4.619 -0.358 1.00 0.00 C ATOM 996 CG2 ILE A 63 -8.035 6.687 -1.423 1.00 0.00 C ATOM 997 CD1 ILE A 63 -8.283 3.283 -0.533 1.00 0.00 C ATOM 0 H ILE A 63 -9.950 6.067 -4.019 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.092 5.356 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.560 4.889 -2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.491 5.162 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.006 4.449 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.032 6.343 -1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.998 7.269 -2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.419 7.310 -0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.337 2.721 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.777 2.720 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.238 3.444 -0.799 1.00 0.00 H new ATOM 1009 N GLN A 64 -11.402 7.694 -0.641 1.00 0.00 N ATOM 1010 CA GLN A 64 -11.647 9.052 -0.198 1.00 0.00 C ATOM 1011 C GLN A 64 -11.142 9.264 1.226 1.00 0.00 C ATOM 1012 O GLN A 64 -10.546 10.296 1.536 1.00 0.00 O ATOM 1013 CB GLN A 64 -13.140 9.379 -0.278 1.00 0.00 C ATOM 1014 CG GLN A 64 -13.733 9.174 -1.663 1.00 0.00 C ATOM 1015 CD GLN A 64 -14.544 7.897 -1.765 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -15.774 7.931 -1.808 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -13.858 6.761 -1.804 1.00 0.00 N ATOM 0 H GLN A 64 -11.950 6.986 -0.151 1.00 0.00 H new ATOM 0 HA GLN A 64 -11.100 9.724 -0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.679 8.755 0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -13.294 10.415 0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.368 10.024 -1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.929 9.150 -2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.839 6.779 -1.766 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.350 5.870 -1.872 1.00 0.00 H new ATOM 1026 N SER A 65 -11.386 8.282 2.088 1.00 0.00 N ATOM 1027 CA SER A 65 -10.957 8.363 3.479 1.00 0.00 C ATOM 1028 C SER A 65 -9.913 7.295 3.792 1.00 0.00 C ATOM 1029 O SER A 65 -9.772 6.317 3.058 1.00 0.00 O ATOM 1030 CB SER A 65 -12.158 8.210 4.413 1.00 0.00 C ATOM 1031 OG SER A 65 -13.321 8.787 3.848 1.00 0.00 O ATOM 0 H SER A 65 -11.878 7.422 1.848 1.00 0.00 H new ATOM 0 HA SER A 65 -10.504 9.342 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.334 7.153 4.614 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.941 8.685 5.370 1.00 0.00 H new ATOM 0 HG SER A 65 -14.075 8.674 4.464 1.00 0.00 H new ATOM 1037 N ILE A 66 -9.186 7.490 4.887 1.00 0.00 N ATOM 1038 CA ILE A 66 -8.155 6.547 5.300 1.00 0.00 C ATOM 1039 C ILE A 66 -8.757 5.189 5.643 1.00 0.00 C ATOM 1040 O ILE A 66 -8.172 4.144 5.350 1.00 0.00 O ATOM 1041 CB ILE A 66 -7.370 7.069 6.518 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.077 8.563 6.363 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -6.076 6.285 6.690 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -5.699 8.856 5.810 1.00 0.00 C ATOM 0 H ILE A 66 -9.293 8.294 5.505 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.473 6.437 4.457 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.979 6.929 7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.825 9.005 5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.180 9.048 7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.532 6.665 7.555 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.307 5.231 6.842 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.461 6.397 5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.562 9.934 5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.943 8.444 6.479 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.598 8.401 4.825 1.00 0.00 H new ATOM 1056 N PRO A 67 -9.942 5.190 6.272 1.00 0.00 N ATOM 1057 CA PRO A 67 -10.635 3.960 6.661 1.00 0.00 C ATOM 1058 C PRO A 67 -10.717 2.955 5.517 1.00 0.00 C ATOM 1059 O PRO A 67 -10.057 1.917 5.544 1.00 0.00 O ATOM 1060 CB PRO A 67 -12.031 4.450 7.048 1.00 0.00 C ATOM 1061 CG PRO A 67 -11.826 5.858 7.489 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.698 6.398 6.652 1.00 0.00 C ATOM 0 HA PRO A 67 -10.117 3.433 7.462 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -12.719 4.395 6.204 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.457 3.843 7.846 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.733 6.446 7.347 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.580 5.902 8.550 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.068 6.932 5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.080 7.098 7.215 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.529 3.270 4.513 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.692 2.391 3.361 1.00 0.00 C ATOM 1072 C ASP A 68 -10.338 2.048 2.748 1.00 0.00 C ATOM 1073 O ASP A 68 -10.217 1.092 1.982 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.588 3.053 2.312 1.00 0.00 C ATOM 1075 CG ASP A 68 -11.971 4.312 1.736 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -10.779 4.568 2.008 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -12.679 5.042 1.010 1.00 0.00 O ATOM 0 H ASP A 68 -12.083 4.125 4.474 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.163 1.468 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.783 2.346 1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.551 3.296 2.762 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.325 2.836 3.090 1.00 0.00 N ATOM 1083 CA ALA A 69 -7.980 2.622 2.576 1.00 0.00 C ATOM 1084 C ALA A 69 -7.376 1.335 3.122 1.00 0.00 C ATOM 1085 O ALA A 69 -7.467 0.276 2.499 1.00 0.00 O ATOM 1086 CB ALA A 69 -7.092 3.809 2.918 1.00 0.00 C ATOM 0 H ALA A 69 -9.412 3.631 3.723 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.045 2.527 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.089 3.637 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.505 4.713 2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.045 3.928 4.000 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.755 1.439 4.287 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.125 0.292 4.927 1.00 0.00 C ATOM 1094 C VAL A 70 -7.160 -0.748 5.339 1.00 0.00 C ATOM 1095 O VAL A 70 -6.827 -1.908 5.581 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.317 0.714 6.168 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -6.142 1.633 7.055 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.850 -0.509 6.942 1.00 0.00 C ATOM 0 H VAL A 70 -6.673 2.310 4.811 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.448 -0.145 4.193 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.436 1.263 5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.555 1.921 7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.421 2.525 6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.043 1.112 7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.281 -0.191 7.816 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.715 -1.088 7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.219 -1.125 6.302 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.415 -0.326 5.415 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.500 -1.218 5.798 1.00 0.00 C ATOM 1110 C GLU A 71 -9.791 -2.228 4.693 1.00 0.00 C ATOM 1111 O GLU A 71 -10.018 -3.408 4.962 1.00 0.00 O ATOM 1112 CB GLU A 71 -10.762 -0.415 6.116 1.00 0.00 C ATOM 1113 CG GLU A 71 -10.632 0.457 7.355 1.00 0.00 C ATOM 1114 CD GLU A 71 -10.644 -0.349 8.640 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -9.653 -1.062 8.903 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -11.646 -0.268 9.381 1.00 0.00 O ATOM 0 H GLU A 71 -8.707 0.631 5.216 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.190 -1.762 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.006 0.216 5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.596 -1.103 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.705 1.028 7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.450 1.178 7.375 1.00 0.00 H new ATOM 1123 N TYR A 72 -9.786 -1.758 3.449 1.00 0.00 N ATOM 1124 CA TYR A 72 -10.051 -2.622 2.308 1.00 0.00 C ATOM 1125 C TYR A 72 -8.912 -3.608 2.099 1.00 0.00 C ATOM 1126 O TYR A 72 -9.131 -4.810 1.950 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.262 -1.787 1.043 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.190 -1.989 -0.003 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -9.105 -3.177 -0.718 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -8.264 -0.991 -0.277 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -8.127 -3.365 -1.675 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -7.284 -1.171 -1.234 1.00 0.00 C ATOM 1133 CZ TYR A 72 -7.219 -2.359 -1.930 1.00 0.00 C ATOM 1134 OH TYR A 72 -6.242 -2.542 -2.882 1.00 0.00 O ATOM 0 H TYR A 72 -9.601 -0.784 3.208 1.00 0.00 H new ATOM 0 HA TYR A 72 -10.961 -3.185 2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -11.231 -2.037 0.611 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.297 -0.732 1.316 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.815 -3.967 -0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.311 -0.059 0.267 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -8.074 -4.295 -2.221 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.572 -0.384 -1.436 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.306 -1.835 -3.557 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.697 -3.086 2.093 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.510 -3.909 1.908 1.00 0.00 C ATOM 1146 C ILE A 73 -6.286 -4.825 3.104 1.00 0.00 C ATOM 1147 O ILE A 73 -5.716 -5.908 2.972 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.247 -3.060 1.682 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.616 -1.603 1.403 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -4.427 -3.629 0.535 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -4.501 -0.630 1.709 1.00 0.00 C ATOM 0 H ILE A 73 -7.505 -2.092 2.215 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.688 -4.510 1.016 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.646 -3.091 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.898 -1.502 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.492 -1.338 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.536 -3.018 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.131 -4.651 0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.025 -3.626 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.832 0.385 1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.234 -0.703 2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.631 -0.869 1.097 1.00 0.00 H new ATOM 1163 N ALA A 74 -6.734 -4.377 4.270 1.00 0.00 N ATOM 1164 CA ALA A 74 -6.589 -5.146 5.500 1.00 0.00 C ATOM 1165 C ALA A 74 -7.401 -6.435 5.451 1.00 0.00 C ATOM 1166 O ALA A 74 -6.961 -7.480 5.935 1.00 0.00 O ATOM 1167 CB ALA A 74 -7.001 -4.305 6.699 1.00 0.00 C ATOM 0 H ALA A 74 -7.204 -3.480 4.390 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.539 -5.419 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.888 -4.891 7.611 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.369 -3.419 6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.042 -4.001 6.590 1.00 0.00 H new ATOM 1173 N GLN A 75 -8.591 -6.346 4.874 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.480 -7.493 4.763 1.00 0.00 C ATOM 1175 C GLN A 75 -9.100 -8.373 3.578 1.00 0.00 C ATOM 1176 O GLN A 75 -9.240 -9.596 3.626 1.00 0.00 O ATOM 1177 CB GLN A 75 -10.931 -7.029 4.625 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.523 -6.489 5.916 1.00 0.00 C ATOM 1179 CD GLN A 75 -11.843 -5.009 5.837 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -12.637 -4.579 5.000 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -11.226 -4.222 6.711 1.00 0.00 N ATOM 0 H GLN A 75 -8.965 -5.486 4.473 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.378 -8.084 5.673 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.985 -6.255 3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.539 -7.864 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.432 -7.041 6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.822 -6.662 6.733 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.576 -4.622 7.387 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.403 -3.217 6.706 1.00 0.00 H new ATOM 1190 N ASN A 76 -8.616 -7.741 2.520 1.00 0.00 N ATOM 1191 CA ASN A 76 -8.209 -8.458 1.318 1.00 0.00 C ATOM 1192 C ASN A 76 -7.158 -9.514 1.644 1.00 0.00 C ATOM 1193 O ASN A 76 -7.049 -10.530 0.959 1.00 0.00 O ATOM 1194 CB ASN A 76 -7.661 -7.481 0.275 1.00 0.00 C ATOM 1195 CG ASN A 76 -8.690 -7.121 -0.777 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -8.940 -7.889 -1.706 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -9.293 -5.946 -0.637 1.00 0.00 N ATOM 0 H ASN A 76 -8.495 -6.730 2.468 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.087 -8.959 0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.323 -6.573 0.774 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.790 -7.922 -0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.994 -5.649 -1.315 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.055 -5.341 0.149 1.00 0.00 H new ATOM 1204 N PRO A 77 -6.367 -9.283 2.701 1.00 0.00 N ATOM 1205 CA PRO A 77 -5.324 -10.195 3.134 1.00 0.00 C ATOM 1206 C PRO A 77 -5.808 -11.159 4.212 1.00 0.00 C ATOM 1207 O PRO A 77 -5.394 -12.317 4.254 1.00 0.00 O ATOM 1208 CB PRO A 77 -4.275 -9.239 3.699 1.00 0.00 C ATOM 1209 CG PRO A 77 -5.042 -8.039 4.177 1.00 0.00 C ATOM 1210 CD PRO A 77 -6.428 -8.108 3.568 1.00 0.00 C ATOM 0 HA PRO A 77 -4.963 -10.837 2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.722 -9.702 4.516 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.546 -8.961 2.937 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.102 -8.032 5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.538 -7.119 3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.197 -8.214 4.333 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.663 -7.206 3.004 1.00 0.00 H new ATOM 1218 N MET A 78 -6.689 -10.672 5.081 1.00 0.00 N ATOM 1219 CA MET A 78 -7.230 -11.490 6.159 1.00 0.00 C ATOM 1220 C MET A 78 -8.010 -12.677 5.603 1.00 0.00 C ATOM 1221 O MET A 78 -8.245 -13.661 6.304 1.00 0.00 O ATOM 1222 CB MET A 78 -8.133 -10.650 7.064 1.00 0.00 C ATOM 1223 CG MET A 78 -8.680 -11.415 8.257 1.00 0.00 C ATOM 1224 SD MET A 78 -9.469 -10.339 9.470 1.00 0.00 S ATOM 1225 CE MET A 78 -11.199 -10.619 9.097 1.00 0.00 C ATOM 0 H MET A 78 -7.043 -9.715 5.059 1.00 0.00 H new ATOM 0 HA MET A 78 -6.394 -11.870 6.746 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.572 -9.787 7.423 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.967 -10.266 6.476 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.401 -12.155 7.910 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.868 -11.962 8.736 1.00 0.00 H new ATOM 0 HE1 MET A 78 -11.817 -10.021 9.766 1.00 0.00 H new ATOM 0 HE2 MET A 78 -11.400 -10.332 8.065 1.00 0.00 H new ATOM 0 HE3 MET A 78 -11.434 -11.675 9.233 1.00 0.00 H new ATOM 1235 N ALA A 79 -8.410 -12.578 4.339 1.00 0.00 N ATOM 1236 CA ALA A 79 -9.163 -13.647 3.693 1.00 0.00 C ATOM 1237 C ALA A 79 -9.449 -13.319 2.231 1.00 0.00 C ATOM 1238 O ALA A 79 -10.566 -13.511 1.750 1.00 0.00 O ATOM 1239 CB ALA A 79 -10.462 -13.902 4.442 1.00 0.00 C ATOM 0 H ALA A 79 -8.226 -11.771 3.743 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.555 -14.551 3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.015 -14.702 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.239 -14.193 5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.064 -12.994 4.445 1.00 0.00 H new ATOM 1245 N LYS A 80 -8.435 -12.821 1.530 1.00 0.00 N ATOM 1246 CA LYS A 80 -8.577 -12.466 0.121 1.00 0.00 C ATOM 1247 C LYS A 80 -9.864 -13.040 -0.460 1.00 0.00 C ATOM 1248 O LYS A 80 -9.856 -14.224 -0.856 1.00 0.00 O ATOM 1249 CB LYS A 80 -7.373 -12.970 -0.679 1.00 0.00 C ATOM 1250 CG LYS A 80 -6.046 -12.386 -0.221 1.00 0.00 C ATOM 1251 CD LYS A 80 -5.740 -11.074 -0.926 1.00 0.00 C ATOM 1252 CE LYS A 80 -4.746 -10.236 -0.138 1.00 0.00 C ATOM 1253 NZ LYS A 80 -3.489 -10.984 0.142 1.00 0.00 N ATOM 1254 OXT LYS A 80 -10.869 -12.300 -0.515 1.00 0.00 O ATOM 0 H LYS A 80 -7.505 -12.654 1.915 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.622 -11.379 0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.327 -14.056 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.521 -12.730 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.072 -12.224 0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.246 -13.100 -0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.339 -11.278 -1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.663 -10.511 -1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.512 -9.329 -0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.200 -9.923 0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.376 -11.100 1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.534 -11.920 -0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.678 -10.455 -0.238 1.00 0.00 H new TER 1268 LYS A 80 HETATM 1269 P24 PNS A 101 -0.286 13.285 -8.290 1.00 0.00 P HETATM 1270 O25 PNS A 101 -1.236 13.147 -9.583 1.00 0.00 O HETATM 1271 O26 PNS A 101 -1.190 13.545 -6.985 1.00 0.00 O HETATM 1272 O27 PNS A 101 0.725 14.521 -8.497 1.00 0.00 O HETATM 1273 C28 PNS A 101 0.935 14.737 -9.893 1.00 0.00 C HETATM 1274 C29 PNS A 101 2.412 14.625 -10.215 1.00 0.00 C HETATM 1275 C30 PNS A 101 3.001 16.004 -10.361 1.00 0.00 C HETATM 1276 C31 PNS A 101 3.115 13.895 -9.100 1.00 0.00 C HETATM 1277 C32 PNS A 101 2.591 13.857 -11.516 1.00 0.00 C HETATM 1278 O33 PNS A 101 2.013 14.488 -12.655 1.00 0.00 O HETATM 1279 C34 PNS A 101 3.783 12.957 -11.690 1.00 0.00 C HETATM 1280 O35 PNS A 101 3.662 11.734 -11.653 1.00 0.00 O HETATM 1281 N36 PNS A 101 4.878 13.590 -11.280 1.00 0.00 N HETATM 1282 C37 PNS A 101 5.418 14.778 -11.933 1.00 0.00 C HETATM 1283 C38 PNS A 101 6.200 14.432 -13.190 1.00 0.00 C HETATM 1284 C39 PNS A 101 5.438 14.759 -14.459 1.00 0.00 C HETATM 1285 O40 PNS A 101 5.207 13.891 -15.299 1.00 0.00 O HETATM 1286 N41 PNS A 101 4.623 15.785 -14.235 1.00 0.00 N HETATM 1287 C42 PNS A 101 5.075 17.169 -14.128 1.00 0.00 C HETATM 1288 C43 PNS A 101 4.999 17.685 -12.700 1.00 0.00 C HETATM 1289 S44 PNS A 101 4.859 19.487 -12.666 1.00 0.00 S HETATM 0 H432 PNS A 101 4.141 17.241 -12.195 1.00 0.00 H new HETATM 0 H431 PNS A 101 5.888 17.376 -12.150 1.00 0.00 H new HETATM 0 H422 PNS A 101 4.465 17.800 -14.774 1.00 0.00 H new HETATM 0 H421 PNS A 101 6.102 17.244 -14.486 1.00 0.00 H new HETATM 0 H382 PNS A 101 6.444 13.370 -13.181 1.00 0.00 H new HETATM 0 H381 PNS A 101 7.144 14.976 -13.187 1.00 0.00 H new HETATM 0 H372 PNS A 101 6.067 15.310 -11.238 1.00 0.00 H new HETATM 0 H371 PNS A 101 4.602 15.454 -12.188 1.00 0.00 H new HETATM 0 H313 PNS A 101 4.177 13.814 -9.331 1.00 0.00 H new HETATM 0 H312 PNS A 101 2.690 12.897 -8.994 1.00 0.00 H new HETATM 0 H311 PNS A 101 2.987 14.445 -8.168 1.00 0.00 H new HETATM 0 H303 PNS A 101 4.063 15.923 -10.593 1.00 0.00 H new HETATM 0 H302 PNS A 101 2.874 16.555 -9.429 1.00 0.00 H new HETATM 0 H301 PNS A 101 2.493 16.533 -11.167 1.00 0.00 H new HETATM 0 H282 PNS A 101 0.565 15.722 -10.177 1.00 0.00 H new HETATM 0 H281 PNS A 101 0.371 14.006 -10.472 1.00 0.00 H new HETATM 0 H44 PNS A 101 4.794 19.894 -11.433 1.00 0.00 H new HETATM 0 H41 PNS A 101 3.626 15.595 -14.132 1.00 0.00 H new HETATM 0 H36 PNS A 101 5.368 13.225 -10.463 1.00 0.00 H new HETATM 0 H33 PNS A 101 2.304 14.025 -13.468 1.00 0.00 H new HETATM 0 H32 PNS A 101 1.931 13.002 -11.369 1.00 0.00 H new