USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 735 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 135:sc= 0.0676 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -64:sc= -1.03 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0566 X(o=-0.057,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -169:sc= -8.56! (180deg=-8.82!) USER MOD Single : A 31 SER OG : rot -149:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= -0.227 (180deg=-1.59!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -3.08! C(o=-3.1!,f=-11!) USER MOD Single : A 42 THR OG1 : rot 153:sc= 0.69 USER MOD Single : A 53 SER OG : rot 177:sc= -1.63! USER MOD Single : A 55 ASN : amide:sc= -8.75! C(o=-8.7!,f=-12!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.162 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -15.8! C(o=-17!,f=-16!) USER MOD Single : A 69 GLN : amide:sc= -1.14 K(o=-1.1,f=-5.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 92:sc= -3.14 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 91:sc= 0.806 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -121:sc= -0.0195 (180deg=-0.341) USER MOD Single : B 5 SER OG : rot 130:sc= 0.0784 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.786 -18.520 7.482 1.00 0.00 N ATOM 2 CA ARG A 1 -6.448 -17.326 8.309 1.00 0.00 C ATOM 3 C ARG A 1 -4.930 -17.170 8.418 1.00 0.00 C ATOM 4 O ARG A 1 -4.176 -18.016 7.980 1.00 0.00 O ATOM 5 CB ARG A 1 -7.058 -17.608 9.683 1.00 0.00 C ATOM 6 CG ARG A 1 -8.519 -17.152 9.697 1.00 0.00 C ATOM 7 CD ARG A 1 -8.729 -16.131 10.817 1.00 0.00 C ATOM 8 NE ARG A 1 -9.726 -16.762 11.726 1.00 0.00 N ATOM 9 CZ ARG A 1 -9.328 -17.363 12.815 1.00 0.00 C ATOM 10 NH1 ARG A 1 -8.773 -16.674 13.776 1.00 0.00 N ATOM 11 NH2 ARG A 1 -9.483 -18.652 12.943 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.540 -19.063 7.949 1.00 0.00 H new ATOM 0 H2 ARG A 1 -7.111 -18.212 6.544 1.00 0.00 H new ATOM 0 H3 ARG A 1 -5.943 -19.119 7.376 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.832 -16.403 7.875 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.996 -18.673 9.908 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.495 -17.085 10.457 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -8.782 -16.711 8.736 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -9.176 -18.009 9.845 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -7.796 -15.919 11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -9.096 -15.183 10.424 1.00 0.00 H new ATOM 0 HE ARG A 1 -10.719 -16.725 11.498 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -8.650 -15.666 13.676 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -8.462 -17.144 14.626 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -9.915 -19.191 12.192 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -9.172 -19.121 13.794 1.00 0.00 H new ATOM 27 N ARG A 2 -4.475 -16.091 8.992 1.00 0.00 N ATOM 28 CA ARG A 2 -3.008 -15.878 9.120 1.00 0.00 C ATOM 29 C ARG A 2 -2.702 -14.946 10.295 1.00 0.00 C ATOM 30 O ARG A 2 -3.557 -14.229 10.774 1.00 0.00 O ATOM 31 CB ARG A 2 -2.590 -15.231 7.800 1.00 0.00 C ATOM 32 CG ARG A 2 -2.200 -16.318 6.809 1.00 0.00 C ATOM 33 CD ARG A 2 -0.905 -15.916 6.102 1.00 0.00 C ATOM 34 NE ARG A 2 0.136 -15.940 7.169 1.00 0.00 N ATOM 35 CZ ARG A 2 1.242 -16.609 6.985 1.00 0.00 C ATOM 36 NH1 ARG A 2 1.204 -17.905 6.842 1.00 0.00 N ATOM 37 NH2 ARG A 2 2.385 -15.980 6.944 1.00 0.00 N ATOM 0 H ARG A 2 -5.057 -15.348 9.378 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.472 -16.808 9.310 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.409 -14.634 7.399 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.752 -14.554 7.963 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.065 -17.267 7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.996 -16.463 6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.662 -16.610 5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.990 -14.926 5.655 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.016 -15.434 8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.310 -18.396 6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.068 -18.428 6.698 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.414 -14.967 7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.249 -16.502 6.800 1.00 0.00 H new ATOM 51 N ARG A 3 -1.481 -14.944 10.749 1.00 0.00 N ATOM 52 CA ARG A 3 -1.101 -14.055 11.882 1.00 0.00 C ATOM 53 C ARG A 3 0.284 -13.466 11.619 1.00 0.00 C ATOM 54 O ARG A 3 1.280 -14.164 11.649 1.00 0.00 O ATOM 55 CB ARG A 3 -1.080 -14.960 13.113 1.00 0.00 C ATOM 56 CG ARG A 3 -1.778 -14.256 14.277 1.00 0.00 C ATOM 57 CD ARG A 3 -1.928 -15.230 15.448 1.00 0.00 C ATOM 58 NE ARG A 3 -1.151 -14.617 16.561 1.00 0.00 N ATOM 59 CZ ARG A 3 -1.715 -14.427 17.722 1.00 0.00 C ATOM 60 NH1 ARG A 3 -2.607 -15.273 18.160 1.00 0.00 N ATOM 61 NH2 ARG A 3 -1.386 -13.392 18.447 1.00 0.00 N ATOM 0 H ARG A 3 -0.725 -15.523 10.382 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.791 -13.221 12.014 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.580 -15.903 12.892 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.052 -15.200 13.383 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.201 -13.384 14.587 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.757 -13.895 13.963 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.975 -15.359 15.722 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.541 -16.217 15.193 1.00 0.00 H new ATOM 0 HE ARG A 3 -0.178 -14.346 16.416 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.863 -16.082 17.595 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.048 -15.125 19.068 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.688 -12.731 18.106 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.827 -13.244 19.355 1.00 0.00 H new ATOM 75 N VAL A 4 0.363 -12.194 11.346 1.00 0.00 N ATOM 76 CA VAL A 4 1.694 -11.585 11.066 1.00 0.00 C ATOM 77 C VAL A 4 2.057 -10.555 12.136 1.00 0.00 C ATOM 78 O VAL A 4 1.202 -9.951 12.751 1.00 0.00 O ATOM 79 CB VAL A 4 1.541 -10.911 9.704 1.00 0.00 C ATOM 80 CG1 VAL A 4 2.845 -10.201 9.337 1.00 0.00 C ATOM 81 CG2 VAL A 4 1.224 -11.969 8.646 1.00 0.00 C ATOM 0 H VAL A 4 -0.430 -11.553 11.305 1.00 0.00 H new ATOM 0 HA VAL A 4 2.490 -12.329 11.070 1.00 0.00 H new ATOM 0 HB VAL A 4 0.730 -10.184 9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.736 -9.720 8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.074 -9.448 10.091 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.655 -10.929 9.293 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.114 -11.489 7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.036 -12.695 8.603 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.296 -12.477 8.906 1.00 0.00 H new ATOM 91 N THR A 5 3.327 -10.347 12.355 1.00 0.00 N ATOM 92 CA THR A 5 3.760 -9.351 13.376 1.00 0.00 C ATOM 93 C THR A 5 4.850 -8.453 12.786 1.00 0.00 C ATOM 94 O THR A 5 5.934 -8.903 12.470 1.00 0.00 O ATOM 95 CB THR A 5 4.313 -10.184 14.536 1.00 0.00 C ATOM 96 OG1 THR A 5 3.256 -10.922 15.131 1.00 0.00 O ATOM 97 CG2 THR A 5 4.944 -9.259 15.581 1.00 0.00 C ATOM 0 H THR A 5 4.085 -10.826 11.869 1.00 0.00 H new ATOM 0 HA THR A 5 2.947 -8.702 13.701 1.00 0.00 H new ATOM 0 HB THR A 5 5.071 -10.871 14.160 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.608 -11.457 15.873 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.336 -9.855 16.405 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.756 -8.693 15.123 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.190 -8.569 15.959 1.00 0.00 H new ATOM 105 N VAL A 6 4.573 -7.189 12.635 1.00 0.00 N ATOM 106 CA VAL A 6 5.598 -6.270 12.065 1.00 0.00 C ATOM 107 C VAL A 6 6.239 -5.443 13.179 1.00 0.00 C ATOM 108 O VAL A 6 5.580 -4.690 13.866 1.00 0.00 O ATOM 109 CB VAL A 6 4.832 -5.370 11.095 1.00 0.00 C ATOM 110 CG1 VAL A 6 5.788 -4.335 10.497 1.00 0.00 C ATOM 111 CG2 VAL A 6 4.236 -6.223 9.974 1.00 0.00 C ATOM 0 H VAL A 6 3.684 -6.753 12.880 1.00 0.00 H new ATOM 0 HA VAL A 6 6.404 -6.807 11.565 1.00 0.00 H new ATOM 0 HB VAL A 6 4.031 -4.858 11.628 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.243 -3.693 9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.214 -3.728 11.296 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.589 -4.846 9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.689 -5.583 9.281 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.037 -6.734 9.440 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.556 -6.960 10.400 1.00 0.00 H new ATOM 121 N ARG A 7 7.521 -5.579 13.365 1.00 0.00 N ATOM 122 CA ARG A 7 8.202 -4.799 14.436 1.00 0.00 C ATOM 123 C ARG A 7 8.646 -3.441 13.890 1.00 0.00 C ATOM 124 O ARG A 7 9.755 -3.281 13.419 1.00 0.00 O ATOM 125 CB ARG A 7 9.409 -5.644 14.839 1.00 0.00 C ATOM 126 CG ARG A 7 8.993 -6.645 15.919 1.00 0.00 C ATOM 127 CD ARG A 7 10.243 -7.230 16.578 1.00 0.00 C ATOM 128 NE ARG A 7 10.986 -7.889 15.466 1.00 0.00 N ATOM 129 CZ ARG A 7 12.101 -8.519 15.711 1.00 0.00 C ATOM 130 NH1 ARG A 7 13.164 -7.851 16.066 1.00 0.00 N ATOM 131 NH2 ARG A 7 12.154 -9.818 15.600 1.00 0.00 N ATOM 0 H ARG A 7 8.127 -6.195 12.823 1.00 0.00 H new ATOM 0 HA ARG A 7 7.549 -4.601 15.286 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.803 -6.172 13.971 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.208 -5.002 15.211 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.371 -6.153 16.667 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.393 -7.442 15.480 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.844 -6.451 17.048 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.981 -7.945 17.358 1.00 0.00 H new ATOM 0 HE ARG A 7 10.622 -7.847 14.514 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.123 -6.835 16.152 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.036 -8.344 16.258 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.323 -10.340 15.322 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.026 -10.311 15.792 1.00 0.00 H new ATOM 145 N LYS A 8 7.786 -2.460 13.949 1.00 0.00 N ATOM 146 CA LYS A 8 8.147 -1.108 13.430 1.00 0.00 C ATOM 147 C LYS A 8 9.503 -0.661 13.985 1.00 0.00 C ATOM 148 O LYS A 8 9.652 -0.408 15.165 1.00 0.00 O ATOM 149 CB LYS A 8 7.035 -0.184 13.927 1.00 0.00 C ATOM 150 CG LYS A 8 5.970 -0.035 12.837 1.00 0.00 C ATOM 151 CD LYS A 8 5.615 1.444 12.669 1.00 0.00 C ATOM 152 CE LYS A 8 6.829 2.201 12.126 1.00 0.00 C ATOM 153 NZ LYS A 8 6.262 3.425 11.492 1.00 0.00 N ATOM 0 H LYS A 8 6.845 -2.537 14.336 1.00 0.00 H new ATOM 0 HA LYS A 8 8.235 -1.098 12.344 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.588 -0.591 14.834 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.446 0.792 14.184 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.339 -0.441 11.895 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.080 -0.606 13.103 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.771 1.551 11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.308 1.866 13.626 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.526 2.456 12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.379 1.599 11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.033 3.999 11.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.607 3.151 10.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.750 3.980 12.206 1.00 0.00 H new ATOM 167 N ALA A 9 10.491 -0.562 13.140 1.00 0.00 N ATOM 168 CA ALA A 9 11.839 -0.129 13.609 1.00 0.00 C ATOM 169 C ALA A 9 12.276 1.124 12.851 1.00 0.00 C ATOM 170 O ALA A 9 13.362 1.191 12.312 1.00 0.00 O ATOM 171 CB ALA A 9 12.762 -1.300 13.285 1.00 0.00 C ATOM 0 H ALA A 9 10.424 -0.763 12.142 1.00 0.00 H new ATOM 0 HA ALA A 9 11.852 0.118 14.671 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.778 -1.061 13.600 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.419 -2.190 13.812 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.750 -1.487 12.211 1.00 0.00 H new ATOM 177 N ASP A 10 11.431 2.118 12.803 1.00 0.00 N ATOM 178 CA ASP A 10 11.787 3.372 12.076 1.00 0.00 C ATOM 179 C ASP A 10 12.148 3.050 10.625 1.00 0.00 C ATOM 180 O ASP A 10 12.895 3.763 9.984 1.00 0.00 O ATOM 181 CB ASP A 10 12.997 3.941 12.818 1.00 0.00 C ATOM 182 CG ASP A 10 12.593 5.225 13.543 1.00 0.00 C ATOM 183 OD1 ASP A 10 11.488 5.270 14.058 1.00 0.00 O ATOM 184 OD2 ASP A 10 13.395 6.145 13.570 1.00 0.00 O ATOM 0 H ASP A 10 10.508 2.116 13.236 1.00 0.00 H new ATOM 0 HA ASP A 10 10.961 4.083 12.051 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.375 3.210 13.533 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.804 4.146 12.115 1.00 0.00 H new ATOM 189 N ALA A 11 11.623 1.975 10.105 1.00 0.00 N ATOM 190 CA ALA A 11 11.932 1.594 8.696 1.00 0.00 C ATOM 191 C ALA A 11 11.196 2.515 7.717 1.00 0.00 C ATOM 192 O ALA A 11 10.412 2.071 6.901 1.00 0.00 O ATOM 193 CB ALA A 11 11.431 0.156 8.557 1.00 0.00 C ATOM 0 H ALA A 11 10.992 1.342 10.596 1.00 0.00 H new ATOM 0 HA ALA A 11 12.995 1.682 8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.622 -0.200 7.544 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.953 -0.482 9.270 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.360 0.123 8.757 1.00 0.00 H new ATOM 199 N GLY A 12 11.446 3.794 7.787 1.00 0.00 N ATOM 200 CA GLY A 12 10.769 4.746 6.856 1.00 0.00 C ATOM 201 C GLY A 12 9.255 4.512 6.864 1.00 0.00 C ATOM 202 O GLY A 12 8.598 4.624 5.848 1.00 0.00 O ATOM 0 H GLY A 12 12.091 4.223 8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.987 5.772 7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.158 4.617 5.846 1.00 0.00 H new ATOM 206 N GLY A 13 8.691 4.193 7.998 1.00 0.00 N ATOM 207 CA GLY A 13 7.219 3.961 8.055 1.00 0.00 C ATOM 208 C GLY A 13 6.932 2.456 8.070 1.00 0.00 C ATOM 209 O GLY A 13 7.709 1.673 8.579 1.00 0.00 O ATOM 0 H GLY A 13 9.184 4.083 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.802 4.429 8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.735 4.424 7.195 1.00 0.00 H new ATOM 213 N LEU A 14 5.820 2.046 7.519 1.00 0.00 N ATOM 214 CA LEU A 14 5.486 0.592 7.509 1.00 0.00 C ATOM 215 C LEU A 14 5.419 0.061 6.073 1.00 0.00 C ATOM 216 O LEU A 14 5.488 -1.129 5.842 1.00 0.00 O ATOM 217 CB LEU A 14 4.108 0.498 8.166 1.00 0.00 C ATOM 218 CG LEU A 14 4.048 -0.740 9.063 1.00 0.00 C ATOM 219 CD1 LEU A 14 3.057 -0.494 10.202 1.00 0.00 C ATOM 220 CD2 LEU A 14 3.584 -1.946 8.243 1.00 0.00 C ATOM 0 H LEU A 14 5.130 2.654 7.077 1.00 0.00 H new ATOM 0 HA LEU A 14 6.238 0.001 8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.913 1.395 8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.333 0.443 7.402 1.00 0.00 H new ATOM 0 HG LEU A 14 5.038 -0.938 9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.013 -1.375 10.842 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.383 0.365 10.789 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.068 -0.296 9.788 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.542 -2.827 8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.594 -1.748 7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.286 -2.123 7.428 1.00 0.00 H new ATOM 232 N GLY A 15 5.271 0.926 5.105 1.00 0.00 N ATOM 233 CA GLY A 15 5.183 0.449 3.695 1.00 0.00 C ATOM 234 C GLY A 15 4.008 -0.524 3.587 1.00 0.00 C ATOM 235 O GLY A 15 4.151 -1.711 3.801 1.00 0.00 O ATOM 0 H GLY A 15 5.208 1.936 5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.041 1.291 3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.111 -0.043 3.402 1.00 0.00 H new ATOM 239 N ILE A 16 2.839 -0.027 3.287 1.00 0.00 N ATOM 240 CA ILE A 16 1.646 -0.924 3.201 1.00 0.00 C ATOM 241 C ILE A 16 0.415 -0.127 2.759 1.00 0.00 C ATOM 242 O ILE A 16 -0.018 0.789 3.429 1.00 0.00 O ATOM 243 CB ILE A 16 1.460 -1.473 4.633 1.00 0.00 C ATOM 244 CG1 ILE A 16 0.093 -2.155 4.770 1.00 0.00 C ATOM 245 CG2 ILE A 16 1.545 -0.328 5.648 1.00 0.00 C ATOM 246 CD1 ILE A 16 0.160 -3.210 5.873 1.00 0.00 C ATOM 0 H ILE A 16 2.656 0.958 3.098 1.00 0.00 H new ATOM 0 HA ILE A 16 1.778 -1.724 2.473 1.00 0.00 H new ATOM 0 HB ILE A 16 2.250 -2.199 4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.673 -1.416 5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.191 -2.618 3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.413 -0.724 6.655 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.520 0.154 5.572 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.763 0.402 5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.811 -3.696 5.972 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.914 -3.955 5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.425 -2.733 6.817 1.00 0.00 H new ATOM 258 N SER A 17 -0.158 -0.475 1.640 1.00 0.00 N ATOM 259 CA SER A 17 -1.366 0.256 1.167 1.00 0.00 C ATOM 260 C SER A 17 -2.586 -0.668 1.223 1.00 0.00 C ATOM 261 O SER A 17 -2.789 -1.496 0.357 1.00 0.00 O ATOM 262 CB SER A 17 -1.049 0.657 -0.276 1.00 0.00 C ATOM 263 OG SER A 17 -2.243 0.672 -1.045 1.00 0.00 O ATOM 0 H SER A 17 0.158 -1.232 1.034 1.00 0.00 H new ATOM 0 HA SER A 17 -1.598 1.126 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.581 1.641 -0.295 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.335 -0.044 -0.709 1.00 0.00 H new ATOM 0 HG SER A 17 -2.614 -0.234 -1.090 1.00 0.00 H new ATOM 269 N ILE A 18 -3.397 -0.539 2.239 1.00 0.00 N ATOM 270 CA ILE A 18 -4.596 -1.417 2.345 1.00 0.00 C ATOM 271 C ILE A 18 -5.700 -0.938 1.406 1.00 0.00 C ATOM 272 O ILE A 18 -5.808 0.235 1.107 1.00 0.00 O ATOM 273 CB ILE A 18 -5.038 -1.318 3.803 1.00 0.00 C ATOM 274 CG1 ILE A 18 -5.401 0.128 4.139 1.00 0.00 C ATOM 275 CG2 ILE A 18 -3.898 -1.778 4.714 1.00 0.00 C ATOM 276 CD1 ILE A 18 -6.413 0.133 5.282 1.00 0.00 C ATOM 0 H ILE A 18 -3.281 0.134 2.997 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.375 -2.445 2.060 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.910 -1.953 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.508 0.684 4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.819 0.624 3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.213 -1.707 5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.641 -2.812 4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.026 -1.143 4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.678 1.161 5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.308 -0.409 4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.976 -0.349 6.157 1.00 0.00 H new ATOM 288 N LYS A 19 -6.520 -1.836 0.932 1.00 0.00 N ATOM 289 CA LYS A 19 -7.613 -1.425 0.007 1.00 0.00 C ATOM 290 C LYS A 19 -8.921 -2.125 0.393 1.00 0.00 C ATOM 291 O LYS A 19 -8.995 -3.338 0.456 1.00 0.00 O ATOM 292 CB LYS A 19 -7.141 -1.886 -1.377 1.00 0.00 C ATOM 293 CG LYS A 19 -7.895 -1.120 -2.468 1.00 0.00 C ATOM 294 CD LYS A 19 -7.198 -1.334 -3.813 1.00 0.00 C ATOM 295 CE LYS A 19 -7.939 -0.554 -4.901 1.00 0.00 C ATOM 296 NZ LYS A 19 -7.474 -1.155 -6.183 1.00 0.00 N ATOM 0 H LYS A 19 -6.480 -2.833 1.145 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.808 -0.353 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.069 -1.720 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.310 -2.957 -1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.928 -1.465 -2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.926 -0.057 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.161 -1.002 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.179 -2.395 -4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.019 -0.648 -4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.705 0.510 -4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.937 -0.674 -6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.443 -1.045 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.717 -2.166 -6.201 1.00 0.00 H new ATOM 310 N GLY A 20 -9.954 -1.371 0.655 1.00 0.00 N ATOM 311 CA GLY A 20 -11.253 -1.993 1.035 1.00 0.00 C ATOM 312 C GLY A 20 -11.973 -1.081 2.027 1.00 0.00 C ATOM 313 O GLY A 20 -11.955 0.128 1.899 1.00 0.00 O ATOM 0 H GLY A 20 -9.954 -0.352 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.870 -2.146 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.084 -2.974 1.480 1.00 0.00 H new ATOM 317 N GLY A 21 -12.604 -1.646 3.017 1.00 0.00 N ATOM 318 CA GLY A 21 -13.320 -0.804 4.014 1.00 0.00 C ATOM 319 C GLY A 21 -14.656 -1.453 4.366 1.00 0.00 C ATOM 320 O GLY A 21 -15.275 -2.110 3.552 1.00 0.00 O ATOM 0 H GLY A 21 -12.655 -2.652 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.712 -0.689 4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.485 0.195 3.610 1.00 0.00 H new ATOM 324 N ARG A 22 -15.104 -1.276 5.576 1.00 0.00 N ATOM 325 CA ARG A 22 -16.401 -1.884 5.988 1.00 0.00 C ATOM 326 C ARG A 22 -17.556 -1.339 5.134 1.00 0.00 C ATOM 327 O ARG A 22 -18.640 -1.887 5.127 1.00 0.00 O ATOM 328 CB ARG A 22 -16.570 -1.481 7.453 1.00 0.00 C ATOM 329 CG ARG A 22 -17.703 -2.296 8.082 1.00 0.00 C ATOM 330 CD ARG A 22 -17.143 -3.158 9.216 1.00 0.00 C ATOM 331 NE ARG A 22 -17.446 -4.560 8.814 1.00 0.00 N ATOM 332 CZ ARG A 22 -16.824 -5.097 7.801 1.00 0.00 C ATOM 333 NH1 ARG A 22 -15.531 -4.963 7.682 1.00 0.00 N ATOM 334 NH2 ARG A 22 -17.495 -5.769 6.905 1.00 0.00 N ATOM 0 H ARG A 22 -14.629 -0.736 6.299 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.409 -2.966 5.855 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.641 -1.651 7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.791 -0.416 7.525 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.476 -1.629 8.465 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.173 -2.928 7.328 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.071 -3.004 9.337 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.610 -2.910 10.169 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.140 -5.100 9.331 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.006 -4.438 8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.046 -5.383 6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.505 -5.874 6.997 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.009 -6.189 6.113 1.00 0.00 H new ATOM 348 N GLU A 23 -17.337 -0.272 4.408 1.00 0.00 N ATOM 349 CA GLU A 23 -18.431 0.285 3.561 1.00 0.00 C ATOM 350 C GLU A 23 -18.694 -0.625 2.353 1.00 0.00 C ATOM 351 O GLU A 23 -19.654 -0.443 1.630 1.00 0.00 O ATOM 352 CB GLU A 23 -17.921 1.652 3.103 1.00 0.00 C ATOM 353 CG GLU A 23 -18.995 2.709 3.365 1.00 0.00 C ATOM 354 CD GLU A 23 -19.302 3.456 2.065 1.00 0.00 C ATOM 355 OE1 GLU A 23 -18.556 4.362 1.735 1.00 0.00 O ATOM 356 OE2 GLU A 23 -20.281 3.109 1.423 1.00 0.00 O ATOM 0 H GLU A 23 -16.452 0.234 4.366 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.372 0.361 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.005 1.908 3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -17.674 1.624 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.900 2.237 3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -18.653 3.409 4.127 1.00 0.00 H new ATOM 363 N ASN A 24 -17.856 -1.604 2.128 1.00 0.00 N ATOM 364 CA ASN A 24 -18.071 -2.516 0.969 1.00 0.00 C ATOM 365 C ASN A 24 -17.985 -3.975 1.424 1.00 0.00 C ATOM 366 O ASN A 24 -17.658 -4.858 0.656 1.00 0.00 O ATOM 367 CB ASN A 24 -16.940 -2.192 -0.008 1.00 0.00 C ATOM 368 CG ASN A 24 -17.427 -1.163 -1.030 1.00 0.00 C ATOM 369 OD1 ASN A 24 -17.663 -1.492 -2.176 1.00 0.00 O ATOM 370 ND2 ASN A 24 -17.590 0.079 -0.661 1.00 0.00 N ATOM 0 H ASN A 24 -17.034 -1.810 2.696 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.052 -2.381 0.514 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.078 -1.802 0.533 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -16.614 -3.099 -0.517 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.915 0.773 -1.334 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -17.392 0.355 0.301 1.00 0.00 H new ATOM 377 N LYS A 25 -18.275 -4.233 2.671 1.00 0.00 N ATOM 378 CA LYS A 25 -18.207 -5.635 3.180 1.00 0.00 C ATOM 379 C LYS A 25 -16.825 -6.230 2.903 1.00 0.00 C ATOM 380 O LYS A 25 -16.697 -7.377 2.526 1.00 0.00 O ATOM 381 CB LYS A 25 -19.285 -6.395 2.405 1.00 0.00 C ATOM 382 CG LYS A 25 -20.513 -6.588 3.296 1.00 0.00 C ATOM 383 CD LYS A 25 -21.459 -7.601 2.647 1.00 0.00 C ATOM 384 CE LYS A 25 -22.278 -8.302 3.732 1.00 0.00 C ATOM 385 NZ LYS A 25 -23.678 -7.844 3.508 1.00 0.00 N ATOM 0 H LYS A 25 -18.556 -3.535 3.359 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.367 -5.691 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.558 -5.843 1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.901 -7.363 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.209 -6.938 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.025 -5.636 3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.122 -7.097 1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -20.888 -8.334 2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -22.198 -9.386 3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.928 -8.032 4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -24.304 -8.282 4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -23.723 -6.809 3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.985 -8.121 2.554 1.00 0.00 H new ATOM 399 N MET A 26 -15.790 -5.456 3.089 1.00 0.00 N ATOM 400 CA MET A 26 -14.416 -5.979 2.839 1.00 0.00 C ATOM 401 C MET A 26 -13.576 -5.885 4.121 1.00 0.00 C ATOM 402 O MET A 26 -13.445 -4.816 4.686 1.00 0.00 O ATOM 403 CB MET A 26 -13.827 -5.057 1.763 1.00 0.00 C ATOM 404 CG MET A 26 -13.915 -5.711 0.374 1.00 0.00 C ATOM 405 SD MET A 26 -13.081 -7.327 0.349 1.00 0.00 S ATOM 406 CE MET A 26 -11.647 -6.923 1.380 1.00 0.00 C ATOM 0 H MET A 26 -15.836 -4.486 3.402 1.00 0.00 H new ATOM 0 HA MET A 26 -14.426 -7.024 2.528 1.00 0.00 H new ATOM 0 HB2 MET A 26 -14.364 -4.108 1.758 1.00 0.00 H new ATOM 0 HB3 MET A 26 -12.787 -4.834 1.999 1.00 0.00 H new ATOM 0 HG2 MET A 26 -14.961 -5.835 0.094 1.00 0.00 H new ATOM 0 HG3 MET A 26 -13.462 -5.054 -0.369 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.918 -7.731 1.322 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.193 -5.998 1.025 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.967 -6.797 2.414 1.00 0.00 H new ATOM 416 N PRO A 27 -13.022 -6.996 4.543 1.00 0.00 N ATOM 417 CA PRO A 27 -12.177 -7.010 5.773 1.00 0.00 C ATOM 418 C PRO A 27 -10.844 -6.283 5.555 1.00 0.00 C ATOM 419 O PRO A 27 -9.798 -6.837 5.828 1.00 0.00 O ATOM 420 CB PRO A 27 -11.908 -8.496 6.000 1.00 0.00 C ATOM 421 CG PRO A 27 -12.047 -9.114 4.648 1.00 0.00 C ATOM 422 CD PRO A 27 -13.125 -8.336 3.941 1.00 0.00 C ATOM 0 HA PRO A 27 -12.666 -6.510 6.609 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.912 -8.660 6.411 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.619 -8.924 6.707 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.107 -9.065 4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.315 -10.168 4.727 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.960 -8.307 2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.110 -8.775 4.101 1.00 0.00 H new ATOM 430 N ILE A 28 -10.859 -5.055 5.077 1.00 0.00 N ATOM 431 CA ILE A 28 -9.571 -4.306 4.851 1.00 0.00 C ATOM 432 C ILE A 28 -8.528 -5.232 4.192 1.00 0.00 C ATOM 433 O ILE A 28 -7.784 -5.909 4.871 1.00 0.00 O ATOM 434 CB ILE A 28 -9.100 -3.876 6.249 1.00 0.00 C ATOM 435 CG1 ILE A 28 -10.264 -3.273 7.058 1.00 0.00 C ATOM 436 CG2 ILE A 28 -7.993 -2.833 6.111 1.00 0.00 C ATOM 437 CD1 ILE A 28 -10.956 -2.166 6.254 1.00 0.00 C ATOM 0 H ILE A 28 -11.705 -4.539 4.834 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.705 -3.450 4.189 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.727 -4.755 6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.983 -4.053 7.309 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.890 -2.869 7.999 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.657 -2.526 7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.156 -3.262 5.560 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.375 -1.966 5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.776 -1.750 6.839 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.237 -1.379 6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.347 -2.581 5.325 1.00 0.00 H new ATOM 449 N LEU A 29 -8.485 -5.291 2.885 1.00 0.00 N ATOM 450 CA LEU A 29 -7.515 -6.209 2.217 1.00 0.00 C ATOM 451 C LEU A 29 -6.297 -5.461 1.673 1.00 0.00 C ATOM 452 O LEU A 29 -6.418 -4.511 0.923 1.00 0.00 O ATOM 453 CB LEU A 29 -8.313 -6.842 1.075 1.00 0.00 C ATOM 454 CG LEU A 29 -7.499 -7.965 0.435 1.00 0.00 C ATOM 455 CD1 LEU A 29 -7.204 -9.030 1.484 1.00 0.00 C ATOM 456 CD2 LEU A 29 -8.300 -8.592 -0.706 1.00 0.00 C ATOM 0 H LEU A 29 -9.075 -4.747 2.256 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.116 -6.945 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.257 -7.235 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.558 -6.087 0.328 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.565 -7.560 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.623 -9.834 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.636 -8.587 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.142 -9.431 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.718 -9.393 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.233 -8.998 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.521 -7.832 -1.456 1.00 0.00 H new ATOM 468 N ILE A 30 -5.119 -5.897 2.038 1.00 0.00 N ATOM 469 CA ILE A 30 -3.887 -5.232 1.533 1.00 0.00 C ATOM 470 C ILE A 30 -3.823 -5.357 0.011 1.00 0.00 C ATOM 471 O ILE A 30 -4.087 -6.403 -0.547 1.00 0.00 O ATOM 472 CB ILE A 30 -2.732 -5.981 2.191 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.825 -5.808 3.709 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.401 -5.413 1.691 1.00 0.00 C ATOM 475 CD1 ILE A 30 -1.646 -6.513 4.375 1.00 0.00 C ATOM 0 H ILE A 30 -4.960 -6.686 2.665 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.857 -4.168 1.768 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.788 -7.040 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.821 -4.749 3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.764 -6.222 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.577 -5.949 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.339 -5.530 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.338 -4.355 1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.712 -6.390 5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.670 -7.574 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.713 -6.079 4.017 1.00 0.00 H new ATOM 487 N SER A 31 -3.486 -4.296 -0.667 1.00 0.00 N ATOM 488 CA SER A 31 -3.421 -4.361 -2.155 1.00 0.00 C ATOM 489 C SER A 31 -2.025 -3.987 -2.659 1.00 0.00 C ATOM 490 O SER A 31 -1.665 -4.286 -3.780 1.00 0.00 O ATOM 491 CB SER A 31 -4.452 -3.340 -2.637 1.00 0.00 C ATOM 492 OG SER A 31 -4.716 -3.550 -4.017 1.00 0.00 O ATOM 0 H SER A 31 -3.254 -3.391 -0.259 1.00 0.00 H new ATOM 0 HA SER A 31 -3.625 -5.365 -2.527 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.372 -3.436 -2.061 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.080 -2.328 -2.477 1.00 0.00 H new ATOM 0 HG SER A 31 -4.942 -2.696 -4.441 1.00 0.00 H new ATOM 498 N LYS A 32 -1.235 -3.333 -1.851 1.00 0.00 N ATOM 499 CA LYS A 32 0.129 -2.947 -2.312 1.00 0.00 C ATOM 500 C LYS A 32 1.125 -2.993 -1.152 1.00 0.00 C ATOM 501 O LYS A 32 1.130 -2.140 -0.288 1.00 0.00 O ATOM 502 CB LYS A 32 -0.022 -1.516 -2.832 1.00 0.00 C ATOM 503 CG LYS A 32 0.420 -1.452 -4.296 1.00 0.00 C ATOM 504 CD LYS A 32 1.480 -0.361 -4.462 1.00 0.00 C ATOM 505 CE LYS A 32 0.888 0.996 -4.071 1.00 0.00 C ATOM 506 NZ LYS A 32 -0.317 1.152 -4.937 1.00 0.00 N ATOM 0 H LYS A 32 -1.472 -3.051 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 32 0.510 -3.625 -3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.059 -1.193 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.579 -0.834 -2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.823 -2.416 -4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.437 -1.242 -4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.346 -0.584 -3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.829 -0.333 -5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.621 1.021 -3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.602 1.802 -4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.540 2.162 -5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.128 0.740 -5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.124 0.663 -4.500 1.00 0.00 H new ATOM 520 N ILE A 33 1.977 -3.981 -1.136 1.00 0.00 N ATOM 521 CA ILE A 33 2.985 -4.080 -0.043 1.00 0.00 C ATOM 522 C ILE A 33 4.293 -3.431 -0.502 1.00 0.00 C ATOM 523 O ILE A 33 4.986 -3.941 -1.360 1.00 0.00 O ATOM 524 CB ILE A 33 3.153 -5.585 0.197 1.00 0.00 C ATOM 525 CG1 ILE A 33 1.923 -6.113 0.929 1.00 0.00 C ATOM 526 CG2 ILE A 33 4.391 -5.857 1.054 1.00 0.00 C ATOM 527 CD1 ILE A 33 1.780 -5.400 2.275 1.00 0.00 C ATOM 0 H ILE A 33 2.019 -4.724 -1.833 1.00 0.00 H new ATOM 0 HA ILE A 33 2.685 -3.568 0.871 1.00 0.00 H new ATOM 0 HB ILE A 33 3.269 -6.084 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.031 -5.952 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.013 -7.188 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.494 -6.930 1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.277 -5.479 0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.285 -5.355 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.901 -5.779 2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.668 -5.584 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.670 -4.328 2.109 1.00 0.00 H new ATOM 539 N PHE A 34 4.631 -2.306 0.061 1.00 0.00 N ATOM 540 CA PHE A 34 5.887 -1.614 -0.340 1.00 0.00 C ATOM 541 C PHE A 34 7.103 -2.386 0.178 1.00 0.00 C ATOM 542 O PHE A 34 7.193 -2.713 1.345 1.00 0.00 O ATOM 543 CB PHE A 34 5.797 -0.233 0.312 1.00 0.00 C ATOM 544 CG PHE A 34 4.699 0.564 -0.348 1.00 0.00 C ATOM 545 CD1 PHE A 34 3.374 0.434 0.087 1.00 0.00 C ATOM 546 CD2 PHE A 34 5.007 1.434 -1.400 1.00 0.00 C ATOM 547 CE1 PHE A 34 2.361 1.174 -0.530 1.00 0.00 C ATOM 548 CE2 PHE A 34 3.993 2.173 -2.017 1.00 0.00 C ATOM 549 CZ PHE A 34 2.670 2.043 -1.583 1.00 0.00 C ATOM 0 H PHE A 34 4.089 -1.834 0.785 1.00 0.00 H new ATOM 0 HA PHE A 34 6.000 -1.545 -1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.596 -0.335 1.379 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.749 0.289 0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.135 -0.237 0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.029 1.535 -1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.339 1.075 -0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.232 2.844 -2.829 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.887 2.613 -2.060 1.00 0.00 H new ATOM 559 N LYS A 35 8.037 -2.688 -0.683 1.00 0.00 N ATOM 560 CA LYS A 35 9.244 -3.447 -0.244 1.00 0.00 C ATOM 561 C LYS A 35 10.180 -2.550 0.568 1.00 0.00 C ATOM 562 O LYS A 35 9.971 -1.358 0.683 1.00 0.00 O ATOM 563 CB LYS A 35 9.923 -3.897 -1.537 1.00 0.00 C ATOM 564 CG LYS A 35 9.262 -5.181 -2.039 1.00 0.00 C ATOM 565 CD LYS A 35 8.897 -5.023 -3.516 1.00 0.00 C ATOM 566 CE LYS A 35 9.170 -6.336 -4.251 1.00 0.00 C ATOM 567 NZ LYS A 35 7.873 -7.069 -4.220 1.00 0.00 N ATOM 0 H LYS A 35 8.017 -2.442 -1.673 1.00 0.00 H new ATOM 0 HA LYS A 35 8.984 -4.289 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.845 -3.115 -2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.986 -4.066 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.938 -6.026 -1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.368 -5.395 -1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.846 -4.750 -3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.479 -4.216 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.497 -6.155 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.958 -6.907 -3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.979 -7.982 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.590 -7.233 -3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.143 -6.504 -4.700 1.00 0.00 H new ATOM 581 N GLY A 36 11.209 -3.117 1.134 1.00 0.00 N ATOM 582 CA GLY A 36 12.157 -2.302 1.940 1.00 0.00 C ATOM 583 C GLY A 36 11.404 -1.658 3.104 1.00 0.00 C ATOM 584 O GLY A 36 11.757 -0.591 3.568 1.00 0.00 O ATOM 0 H GLY A 36 11.434 -4.110 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.965 -2.929 2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.614 -1.533 1.317 1.00 0.00 H new ATOM 588 N LEU A 37 10.368 -2.295 3.582 1.00 0.00 N ATOM 589 CA LEU A 37 9.597 -1.708 4.715 1.00 0.00 C ATOM 590 C LEU A 37 9.219 -2.785 5.736 1.00 0.00 C ATOM 591 O LEU A 37 9.206 -3.962 5.437 1.00 0.00 O ATOM 592 CB LEU A 37 8.350 -1.108 4.071 1.00 0.00 C ATOM 593 CG LEU A 37 8.690 0.279 3.522 1.00 0.00 C ATOM 594 CD1 LEU A 37 8.229 0.385 2.070 1.00 0.00 C ATOM 595 CD2 LEU A 37 7.985 1.346 4.362 1.00 0.00 C ATOM 0 H LEU A 37 10.024 -3.192 3.239 1.00 0.00 H new ATOM 0 HA LEU A 37 10.176 -0.963 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.993 -1.753 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.546 -1.036 4.803 1.00 0.00 H new ATOM 0 HG LEU A 37 9.768 0.432 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.473 1.374 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.733 -0.374 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.151 0.230 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.227 2.335 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.907 1.191 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.319 1.273 5.397 1.00 0.00 H new ATOM 607 N ALA A 38 8.921 -2.381 6.943 1.00 0.00 N ATOM 608 CA ALA A 38 8.551 -3.361 8.014 1.00 0.00 C ATOM 609 C ALA A 38 7.572 -4.420 7.496 1.00 0.00 C ATOM 610 O ALA A 38 7.869 -5.598 7.488 1.00 0.00 O ATOM 611 CB ALA A 38 7.887 -2.513 9.101 1.00 0.00 C ATOM 0 H ALA A 38 8.917 -1.405 7.238 1.00 0.00 H new ATOM 0 HA ALA A 38 9.422 -3.907 8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.583 -3.155 9.928 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.594 -1.766 9.462 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.010 -2.014 8.688 1.00 0.00 H new ATOM 617 N ALA A 39 6.403 -4.015 7.080 1.00 0.00 N ATOM 618 CA ALA A 39 5.400 -5.004 6.580 1.00 0.00 C ATOM 619 C ALA A 39 6.038 -5.976 5.582 1.00 0.00 C ATOM 620 O ALA A 39 6.014 -7.176 5.767 1.00 0.00 O ATOM 621 CB ALA A 39 4.324 -4.164 5.894 1.00 0.00 C ATOM 0 H ALA A 39 6.097 -3.042 7.064 1.00 0.00 H new ATOM 0 HA ALA A 39 4.996 -5.613 7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.548 -4.819 5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.884 -3.476 6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.771 -3.597 5.077 1.00 0.00 H new ATOM 627 N ASP A 40 6.602 -5.472 4.522 1.00 0.00 N ATOM 628 CA ASP A 40 7.228 -6.377 3.516 1.00 0.00 C ATOM 629 C ASP A 40 8.575 -6.922 4.016 1.00 0.00 C ATOM 630 O ASP A 40 9.234 -7.677 3.330 1.00 0.00 O ATOM 631 CB ASP A 40 7.421 -5.508 2.273 1.00 0.00 C ATOM 632 CG ASP A 40 7.954 -6.373 1.128 1.00 0.00 C ATOM 633 OD1 ASP A 40 9.143 -6.649 1.123 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.166 -6.742 0.274 1.00 0.00 O ATOM 0 H ASP A 40 6.658 -4.476 4.307 1.00 0.00 H new ATOM 0 HA ASP A 40 6.607 -7.251 3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.475 -5.048 1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.118 -4.698 2.487 1.00 0.00 H new ATOM 639 N GLN A 41 8.992 -6.560 5.204 1.00 0.00 N ATOM 640 CA GLN A 41 10.293 -7.081 5.720 1.00 0.00 C ATOM 641 C GLN A 41 10.065 -8.170 6.778 1.00 0.00 C ATOM 642 O GLN A 41 11.003 -8.748 7.289 1.00 0.00 O ATOM 643 CB GLN A 41 10.992 -5.878 6.352 1.00 0.00 C ATOM 644 CG GLN A 41 11.718 -5.075 5.271 1.00 0.00 C ATOM 645 CD GLN A 41 12.367 -3.841 5.903 1.00 0.00 C ATOM 646 OE1 GLN A 41 12.352 -2.773 5.331 1.00 0.00 O ATOM 647 NE2 GLN A 41 12.942 -3.947 7.070 1.00 0.00 N ATOM 0 H GLN A 41 8.492 -5.932 5.833 1.00 0.00 H new ATOM 0 HA GLN A 41 10.885 -7.530 4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.262 -5.247 6.859 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.702 -6.214 7.107 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.477 -5.693 4.792 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.016 -4.772 4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.955 -4.846 7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.378 -3.131 7.500 1.00 0.00 H new ATOM 656 N THR A 42 8.836 -8.457 7.117 1.00 0.00 N ATOM 657 CA THR A 42 8.578 -9.507 8.146 1.00 0.00 C ATOM 658 C THR A 42 8.221 -10.841 7.480 1.00 0.00 C ATOM 659 O THR A 42 7.725 -11.746 8.121 1.00 0.00 O ATOM 660 CB THR A 42 7.398 -8.979 8.966 1.00 0.00 C ATOM 661 OG1 THR A 42 7.126 -9.878 10.033 1.00 0.00 O ATOM 662 CG2 THR A 42 6.161 -8.855 8.074 1.00 0.00 C ATOM 0 H THR A 42 8.004 -8.013 6.729 1.00 0.00 H new ATOM 0 HA THR A 42 9.454 -9.695 8.766 1.00 0.00 H new ATOM 0 HB THR A 42 7.649 -7.998 9.369 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.711 -9.390 10.775 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.324 -8.479 8.663 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.369 -8.164 7.257 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.907 -9.833 7.666 1.00 0.00 H new ATOM 670 N GLU A 43 8.473 -10.976 6.201 1.00 0.00 N ATOM 671 CA GLU A 43 8.149 -12.256 5.501 1.00 0.00 C ATOM 672 C GLU A 43 6.727 -12.717 5.847 1.00 0.00 C ATOM 673 O GLU A 43 6.504 -13.854 6.208 1.00 0.00 O ATOM 674 CB GLU A 43 9.178 -13.261 6.018 1.00 0.00 C ATOM 675 CG GLU A 43 10.400 -13.258 5.096 1.00 0.00 C ATOM 676 CD GLU A 43 11.079 -14.627 5.144 1.00 0.00 C ATOM 677 OE1 GLU A 43 11.820 -14.866 6.084 1.00 0.00 O ATOM 678 OE2 GLU A 43 10.849 -15.413 4.240 1.00 0.00 O ATOM 0 H GLU A 43 8.889 -10.255 5.612 1.00 0.00 H new ATOM 0 HA GLU A 43 8.188 -12.149 4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.475 -13.003 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.741 -14.259 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.098 -13.026 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.100 -12.482 5.405 1.00 0.00 H new ATOM 685 N ALA A 44 5.767 -11.839 5.741 1.00 0.00 N ATOM 686 CA ALA A 44 4.364 -12.225 6.067 1.00 0.00 C ATOM 687 C ALA A 44 3.395 -11.129 5.614 1.00 0.00 C ATOM 688 O ALA A 44 2.366 -11.404 5.032 1.00 0.00 O ATOM 689 CB ALA A 44 4.342 -12.378 7.585 1.00 0.00 C ATOM 0 H ALA A 44 5.893 -10.872 5.443 1.00 0.00 H new ATOM 0 HA ALA A 44 4.056 -13.141 5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.340 -12.662 7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.052 -13.149 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.618 -11.432 8.050 1.00 0.00 H new ATOM 695 N LEU A 45 3.715 -9.888 5.864 1.00 0.00 N ATOM 696 CA LEU A 45 2.806 -8.794 5.421 1.00 0.00 C ATOM 697 C LEU A 45 2.821 -8.728 3.892 1.00 0.00 C ATOM 698 O LEU A 45 3.496 -7.912 3.299 1.00 0.00 O ATOM 699 CB LEU A 45 3.381 -7.517 6.034 1.00 0.00 C ATOM 700 CG LEU A 45 2.275 -6.752 6.769 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.151 -6.409 5.790 1.00 0.00 C ATOM 702 CD2 LEU A 45 1.716 -7.620 7.898 1.00 0.00 C ATOM 0 H LEU A 45 4.559 -9.587 6.351 1.00 0.00 H new ATOM 0 HA LEU A 45 1.772 -8.944 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.186 -7.765 6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.813 -6.890 5.254 1.00 0.00 H new ATOM 0 HG LEU A 45 2.688 -5.833 7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.365 -5.865 6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.546 -5.789 4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.739 -7.328 5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.929 -7.075 8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.305 -8.539 7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.515 -7.865 8.598 1.00 0.00 H new ATOM 714 N PHE A 46 2.083 -9.597 3.256 1.00 0.00 N ATOM 715 CA PHE A 46 2.048 -9.609 1.757 1.00 0.00 C ATOM 716 C PHE A 46 0.666 -9.176 1.261 1.00 0.00 C ATOM 717 O PHE A 46 -0.323 -9.324 1.945 1.00 0.00 O ATOM 718 CB PHE A 46 2.364 -11.059 1.293 1.00 0.00 C ATOM 719 CG PHE A 46 1.943 -12.091 2.321 1.00 0.00 C ATOM 720 CD1 PHE A 46 0.601 -12.209 2.687 1.00 0.00 C ATOM 721 CD2 PHE A 46 2.905 -12.920 2.913 1.00 0.00 C ATOM 722 CE1 PHE A 46 0.215 -13.152 3.645 1.00 0.00 C ATOM 723 CE2 PHE A 46 2.521 -13.864 3.871 1.00 0.00 C ATOM 724 CZ PHE A 46 1.176 -13.981 4.237 1.00 0.00 C ATOM 0 H PHE A 46 1.500 -10.302 3.707 1.00 0.00 H new ATOM 0 HA PHE A 46 2.781 -8.913 1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.853 -11.257 0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.433 -11.153 1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.141 -11.571 2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.943 -12.830 2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.823 -13.241 3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.263 -14.502 4.328 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.879 -14.710 4.976 1.00 0.00 H new ATOM 734 N VAL A 47 0.591 -8.632 0.077 1.00 0.00 N ATOM 735 CA VAL A 47 -0.730 -8.182 -0.452 1.00 0.00 C ATOM 736 C VAL A 47 -1.752 -9.319 -0.370 1.00 0.00 C ATOM 737 O VAL A 47 -1.410 -10.457 -0.114 1.00 0.00 O ATOM 738 CB VAL A 47 -0.462 -7.794 -1.907 1.00 0.00 C ATOM 739 CG1 VAL A 47 -1.780 -7.407 -2.581 1.00 0.00 C ATOM 740 CG2 VAL A 47 0.501 -6.604 -1.949 1.00 0.00 C ATOM 0 H VAL A 47 1.384 -8.480 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.143 -7.351 0.119 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.018 -8.639 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.591 -7.130 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.466 -8.253 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.223 -6.561 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.692 -6.327 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.057 -5.758 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.440 -6.878 -1.468 1.00 0.00 H new ATOM 750 N GLY A 48 -3.005 -9.017 -0.575 1.00 0.00 N ATOM 751 CA GLY A 48 -4.048 -10.078 -0.497 1.00 0.00 C ATOM 752 C GLY A 48 -4.215 -10.497 0.964 1.00 0.00 C ATOM 753 O GLY A 48 -4.538 -11.629 1.265 1.00 0.00 O ATOM 0 H GLY A 48 -3.351 -8.083 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.993 -9.708 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.760 -10.936 -1.105 1.00 0.00 H new ATOM 757 N ASP A 49 -3.988 -9.590 1.873 1.00 0.00 N ATOM 758 CA ASP A 49 -4.120 -9.926 3.319 1.00 0.00 C ATOM 759 C ASP A 49 -5.266 -9.139 3.965 1.00 0.00 C ATOM 760 O ASP A 49 -5.113 -7.985 4.317 1.00 0.00 O ATOM 761 CB ASP A 49 -2.786 -9.498 3.929 1.00 0.00 C ATOM 762 CG ASP A 49 -1.755 -10.615 3.759 1.00 0.00 C ATOM 763 OD1 ASP A 49 -2.095 -11.633 3.177 1.00 0.00 O ATOM 764 OD2 ASP A 49 -0.642 -10.432 4.223 1.00 0.00 O ATOM 0 H ASP A 49 -3.716 -8.627 1.676 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.342 -10.982 3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.431 -8.587 3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.916 -9.269 4.987 1.00 0.00 H new ATOM 769 N ALA A 50 -6.408 -9.751 4.136 1.00 0.00 N ATOM 770 CA ALA A 50 -7.544 -9.022 4.780 1.00 0.00 C ATOM 771 C ALA A 50 -7.348 -8.998 6.298 1.00 0.00 C ATOM 772 O ALA A 50 -7.486 -9.999 6.969 1.00 0.00 O ATOM 773 CB ALA A 50 -8.802 -9.797 4.391 1.00 0.00 C ATOM 0 H ALA A 50 -6.604 -10.714 3.862 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.612 -7.984 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.676 -9.316 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.901 -9.808 3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.727 -10.820 4.759 1.00 0.00 H new ATOM 779 N ILE A 51 -7.009 -7.854 6.839 1.00 0.00 N ATOM 780 CA ILE A 51 -6.784 -7.752 8.311 1.00 0.00 C ATOM 781 C ILE A 51 -8.117 -7.729 9.061 1.00 0.00 C ATOM 782 O ILE A 51 -9.061 -7.084 8.648 1.00 0.00 O ATOM 783 CB ILE A 51 -6.050 -6.427 8.511 1.00 0.00 C ATOM 784 CG1 ILE A 51 -4.759 -6.422 7.687 1.00 0.00 C ATOM 785 CG2 ILE A 51 -5.712 -6.252 9.992 1.00 0.00 C ATOM 786 CD1 ILE A 51 -4.003 -5.114 7.928 1.00 0.00 C ATOM 0 H ILE A 51 -6.878 -6.985 6.322 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.218 -8.602 8.692 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.689 -5.607 8.183 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.135 -7.271 7.965 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.991 -6.530 6.628 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.188 -5.307 10.136 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.632 -6.250 10.577 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.075 -7.074 10.319 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.084 -5.111 7.341 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.627 -4.272 7.628 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.758 -5.025 8.986 1.00 0.00 H new ATOM 798 N LEU A 52 -8.204 -8.424 10.164 1.00 0.00 N ATOM 799 CA LEU A 52 -9.483 -8.433 10.937 1.00 0.00 C ATOM 800 C LEU A 52 -9.235 -8.062 12.408 1.00 0.00 C ATOM 801 O LEU A 52 -10.128 -8.140 13.228 1.00 0.00 O ATOM 802 CB LEU A 52 -10.011 -9.870 10.842 1.00 0.00 C ATOM 803 CG LEU A 52 -10.759 -10.094 9.518 1.00 0.00 C ATOM 804 CD1 LEU A 52 -11.850 -9.033 9.340 1.00 0.00 C ATOM 805 CD2 LEU A 52 -9.776 -10.015 8.351 1.00 0.00 C ATOM 0 H LEU A 52 -7.450 -8.983 10.562 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.192 -7.707 10.539 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.181 -10.572 10.918 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.678 -10.073 11.680 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.222 -11.080 9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.372 -9.203 8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.559 -9.098 10.165 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.396 -8.042 9.329 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.310 -10.174 7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.305 -9.032 8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.011 -10.782 8.467 1.00 0.00 H new ATOM 817 N SER A 53 -8.036 -7.659 12.755 1.00 0.00 N ATOM 818 CA SER A 53 -7.744 -7.287 14.172 1.00 0.00 C ATOM 819 C SER A 53 -6.258 -6.949 14.323 1.00 0.00 C ATOM 820 O SER A 53 -5.422 -7.824 14.430 1.00 0.00 O ATOM 821 CB SER A 53 -8.101 -8.514 15.019 1.00 0.00 C ATOM 822 OG SER A 53 -7.939 -9.693 14.246 1.00 0.00 O ATOM 0 H SER A 53 -7.247 -7.572 12.115 1.00 0.00 H new ATOM 0 HA SER A 53 -8.315 -6.413 14.486 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.463 -8.556 15.902 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.129 -8.437 15.372 1.00 0.00 H new ATOM 0 HG SER A 53 -8.116 -10.478 14.806 1.00 0.00 H new ATOM 828 N VAL A 54 -5.920 -5.688 14.329 1.00 0.00 N ATOM 829 CA VAL A 54 -4.483 -5.306 14.470 1.00 0.00 C ATOM 830 C VAL A 54 -4.126 -5.110 15.947 1.00 0.00 C ATOM 831 O VAL A 54 -4.699 -4.290 16.631 1.00 0.00 O ATOM 832 CB VAL A 54 -4.331 -3.986 13.704 1.00 0.00 C ATOM 833 CG1 VAL A 54 -4.767 -4.170 12.251 1.00 0.00 C ATOM 834 CG2 VAL A 54 -5.201 -2.913 14.349 1.00 0.00 C ATOM 0 H VAL A 54 -6.572 -4.908 14.243 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.819 -6.078 14.080 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.285 -3.682 13.735 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.655 -3.227 11.715 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.146 -4.931 11.779 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.811 -4.483 12.221 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.090 -1.977 13.802 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.245 -3.227 14.323 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.891 -2.767 15.384 1.00 0.00 H new ATOM 844 N ASN A 55 -3.172 -5.854 16.442 1.00 0.00 N ATOM 845 CA ASN A 55 -2.762 -5.715 17.876 1.00 0.00 C ATOM 846 C ASN A 55 -3.944 -6.020 18.797 1.00 0.00 C ATOM 847 O ASN A 55 -4.108 -5.410 19.836 1.00 0.00 O ATOM 848 CB ASN A 55 -2.309 -4.258 18.050 1.00 0.00 C ATOM 849 CG ASN A 55 -1.359 -3.854 16.915 1.00 0.00 C ATOM 850 OD1 ASN A 55 -1.234 -2.687 16.603 1.00 0.00 O ATOM 851 ND2 ASN A 55 -0.680 -4.772 16.283 1.00 0.00 N ATOM 0 H ASN A 55 -2.655 -6.557 15.914 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.964 -6.412 18.133 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.177 -3.599 18.058 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.809 -4.138 19.011 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.046 -4.509 15.529 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.783 -5.753 16.543 1.00 0.00 H new ATOM 858 N GLY A 56 -4.764 -6.960 18.426 1.00 0.00 N ATOM 859 CA GLY A 56 -5.934 -7.305 19.281 1.00 0.00 C ATOM 860 C GLY A 56 -7.047 -6.267 19.087 1.00 0.00 C ATOM 861 O GLY A 56 -8.012 -6.242 19.825 1.00 0.00 O ATOM 0 H GLY A 56 -4.676 -7.505 17.568 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.302 -8.298 19.025 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.633 -7.337 20.328 1.00 0.00 H new ATOM 865 N GLU A 57 -6.936 -5.417 18.096 1.00 0.00 N ATOM 866 CA GLU A 57 -8.004 -4.403 17.866 1.00 0.00 C ATOM 867 C GLU A 57 -8.962 -4.910 16.796 1.00 0.00 C ATOM 868 O GLU A 57 -8.734 -4.711 15.620 1.00 0.00 O ATOM 869 CB GLU A 57 -7.278 -3.157 17.370 1.00 0.00 C ATOM 870 CG GLU A 57 -7.927 -1.913 17.982 1.00 0.00 C ATOM 871 CD GLU A 57 -7.259 -1.598 19.322 1.00 0.00 C ATOM 872 OE1 GLU A 57 -6.078 -1.291 19.316 1.00 0.00 O ATOM 873 OE2 GLU A 57 -7.940 -1.667 20.331 1.00 0.00 O ATOM 0 H GLU A 57 -6.155 -5.383 17.441 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.585 -4.201 18.766 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.224 -3.203 17.645 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.322 -3.106 16.282 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.825 -1.065 17.304 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.995 -2.080 18.126 1.00 0.00 H new ATOM 880 N ASP A 58 -10.020 -5.572 17.195 1.00 0.00 N ATOM 881 CA ASP A 58 -11.007 -6.121 16.209 1.00 0.00 C ATOM 882 C ASP A 58 -11.269 -5.127 15.070 1.00 0.00 C ATOM 883 O ASP A 58 -11.966 -4.144 15.231 1.00 0.00 O ATOM 884 CB ASP A 58 -12.281 -6.357 17.019 1.00 0.00 C ATOM 885 CG ASP A 58 -12.756 -7.797 16.817 1.00 0.00 C ATOM 886 OD1 ASP A 58 -11.937 -8.693 16.943 1.00 0.00 O ATOM 887 OD2 ASP A 58 -13.930 -7.980 16.541 1.00 0.00 O ATOM 0 H ASP A 58 -10.246 -5.758 18.172 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.640 -7.032 15.737 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.092 -6.170 18.076 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.058 -5.659 16.706 1.00 0.00 H new ATOM 892 N LEU A 59 -10.704 -5.383 13.925 1.00 0.00 N ATOM 893 CA LEU A 59 -10.895 -4.468 12.767 1.00 0.00 C ATOM 894 C LEU A 59 -12.075 -4.932 11.905 1.00 0.00 C ATOM 895 O LEU A 59 -12.557 -4.205 11.059 1.00 0.00 O ATOM 896 CB LEU A 59 -9.580 -4.555 11.988 1.00 0.00 C ATOM 897 CG LEU A 59 -8.924 -3.174 11.927 1.00 0.00 C ATOM 898 CD1 LEU A 59 -9.849 -2.207 11.188 1.00 0.00 C ATOM 899 CD2 LEU A 59 -8.671 -2.660 13.346 1.00 0.00 C ATOM 0 H LEU A 59 -10.113 -6.194 13.740 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.123 -3.447 13.074 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.908 -5.266 12.468 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.767 -4.924 10.980 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.974 -3.246 11.398 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.384 -1.222 11.143 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.024 -2.572 10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.799 -2.136 11.717 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.204 -1.676 13.299 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.618 -2.587 13.881 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.011 -3.350 13.871 1.00 0.00 H new ATOM 911 N SER A 60 -12.547 -6.134 12.111 1.00 0.00 N ATOM 912 CA SER A 60 -13.697 -6.629 11.300 1.00 0.00 C ATOM 913 C SER A 60 -14.873 -5.655 11.404 1.00 0.00 C ATOM 914 O SER A 60 -15.583 -5.419 10.446 1.00 0.00 O ATOM 915 CB SER A 60 -14.063 -7.979 11.918 1.00 0.00 C ATOM 916 OG SER A 60 -14.830 -7.769 13.094 1.00 0.00 O ATOM 0 H SER A 60 -12.187 -6.791 12.803 1.00 0.00 H new ATOM 0 HA SER A 60 -13.450 -6.718 10.242 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.629 -8.576 11.204 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.159 -8.539 12.156 1.00 0.00 H new ATOM 0 HG SER A 60 -15.066 -8.634 13.489 1.00 0.00 H new ATOM 922 N SER A 61 -15.086 -5.087 12.560 1.00 0.00 N ATOM 923 CA SER A 61 -16.217 -4.127 12.723 1.00 0.00 C ATOM 924 C SER A 61 -15.716 -2.688 12.578 1.00 0.00 C ATOM 925 O SER A 61 -16.322 -1.756 13.068 1.00 0.00 O ATOM 926 CB SER A 61 -16.742 -4.372 14.139 1.00 0.00 C ATOM 927 OG SER A 61 -17.660 -5.455 14.124 1.00 0.00 O ATOM 0 H SER A 61 -14.527 -5.245 13.398 1.00 0.00 H new ATOM 0 HA SER A 61 -16.992 -4.270 11.970 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.914 -4.593 14.812 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.229 -3.474 14.518 1.00 0.00 H new ATOM 0 HG SER A 61 -17.995 -5.613 15.031 1.00 0.00 H new ATOM 933 N ALA A 62 -14.612 -2.499 11.907 1.00 0.00 N ATOM 934 CA ALA A 62 -14.072 -1.121 11.729 1.00 0.00 C ATOM 935 C ALA A 62 -14.044 -0.753 10.244 1.00 0.00 C ATOM 936 O ALA A 62 -13.988 -1.609 9.386 1.00 0.00 O ATOM 937 CB ALA A 62 -12.653 -1.177 12.293 1.00 0.00 C ATOM 0 H ALA A 62 -14.061 -3.240 11.474 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.682 -0.370 12.231 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.185 -0.197 12.199 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.690 -1.462 13.344 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.070 -1.912 11.739 1.00 0.00 H new ATOM 943 N THR A 63 -14.079 0.515 9.936 1.00 0.00 N ATOM 944 CA THR A 63 -14.054 0.936 8.505 1.00 0.00 C ATOM 945 C THR A 63 -12.611 1.027 8.007 1.00 0.00 C ATOM 946 O THR A 63 -11.674 0.907 8.773 1.00 0.00 O ATOM 947 CB THR A 63 -14.714 2.315 8.487 1.00 0.00 C ATOM 948 OG1 THR A 63 -14.028 3.177 9.383 1.00 0.00 O ATOM 949 CG2 THR A 63 -16.177 2.188 8.916 1.00 0.00 C ATOM 0 H THR A 63 -14.124 1.277 10.612 1.00 0.00 H new ATOM 0 HA THR A 63 -14.570 0.228 7.857 1.00 0.00 H new ATOM 0 HB THR A 63 -14.669 2.728 7.479 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.448 4.062 9.372 1.00 0.00 H new ATOM 0 HG21 THR A 63 -16.647 3.172 8.903 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.702 1.526 8.227 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.226 1.776 9.924 1.00 0.00 H new ATOM 957 N HIS A 64 -12.418 1.240 6.733 1.00 0.00 N ATOM 958 CA HIS A 64 -11.028 1.339 6.203 1.00 0.00 C ATOM 959 C HIS A 64 -10.243 2.392 6.997 1.00 0.00 C ATOM 960 O HIS A 64 -9.033 2.331 7.096 1.00 0.00 O ATOM 961 CB HIS A 64 -11.181 1.749 4.730 1.00 0.00 C ATOM 962 CG HIS A 64 -9.831 2.070 4.144 1.00 0.00 C ATOM 963 ND1 HIS A 64 -8.868 2.978 4.505 1.00 0.00 N flip ATOM 964 CD2 HIS A 64 -9.329 1.414 3.031 1.00 0.00 C flip ATOM 965 CE1 HIS A 64 -7.787 2.891 3.637 1.00 0.00 C flip ATOM 966 NE2 HIS A 64 -8.116 1.935 2.767 1.00 0.00 N flip ATOM 0 H HIS A 64 -13.158 1.349 6.040 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.478 0.402 6.294 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.649 0.943 4.166 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.837 2.616 4.651 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.821 0.628 2.477 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.877 3.472 3.661 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.521 1.635 1.995 1.00 0.00 H new ATOM 974 N ASP A 65 -10.919 3.349 7.577 1.00 0.00 N ATOM 975 CA ASP A 65 -10.202 4.385 8.369 1.00 0.00 C ATOM 976 C ASP A 65 -9.782 3.791 9.714 1.00 0.00 C ATOM 977 O ASP A 65 -8.689 4.020 10.195 1.00 0.00 O ATOM 978 CB ASP A 65 -11.218 5.510 8.570 1.00 0.00 C ATOM 979 CG ASP A 65 -11.307 6.352 7.294 1.00 0.00 C ATOM 980 OD1 ASP A 65 -10.373 6.304 6.511 1.00 0.00 O ATOM 981 OD2 ASP A 65 -12.306 7.029 7.124 1.00 0.00 O ATOM 0 H ASP A 65 -11.933 3.456 7.536 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.301 4.746 7.874 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.195 5.093 8.812 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.922 6.136 9.412 1.00 0.00 H new ATOM 986 N GLU A 66 -10.643 3.018 10.315 1.00 0.00 N ATOM 987 CA GLU A 66 -10.304 2.389 11.622 1.00 0.00 C ATOM 988 C GLU A 66 -9.150 1.397 11.439 1.00 0.00 C ATOM 989 O GLU A 66 -8.443 1.069 12.371 1.00 0.00 O ATOM 990 CB GLU A 66 -11.583 1.663 12.044 1.00 0.00 C ATOM 991 CG GLU A 66 -12.627 2.689 12.486 1.00 0.00 C ATOM 992 CD GLU A 66 -13.624 2.025 13.440 1.00 0.00 C ATOM 993 OE1 GLU A 66 -13.241 1.743 14.562 1.00 0.00 O ATOM 994 OE2 GLU A 66 -14.753 1.812 13.029 1.00 0.00 O ATOM 0 H GLU A 66 -11.571 2.794 9.956 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.982 3.114 12.369 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.968 1.070 11.215 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.370 0.971 12.859 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.140 3.530 12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.150 3.089 11.617 1.00 0.00 H new ATOM 1001 N ALA A 67 -8.958 0.916 10.239 1.00 0.00 N ATOM 1002 CA ALA A 67 -7.855 -0.058 9.984 1.00 0.00 C ATOM 1003 C ALA A 67 -6.531 0.675 9.746 1.00 0.00 C ATOM 1004 O ALA A 67 -5.488 0.255 10.207 1.00 0.00 O ATOM 1005 CB ALA A 67 -8.276 -0.803 8.718 1.00 0.00 C ATOM 0 H ALA A 67 -9.519 1.156 9.422 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.699 -0.727 10.830 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.516 -1.541 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.227 -1.307 8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.385 -0.094 7.898 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.562 1.761 9.024 1.00 0.00 N ATOM 1012 CA VAL A 68 -5.298 2.509 8.753 1.00 0.00 C ATOM 1013 C VAL A 68 -4.875 3.261 10.018 1.00 0.00 C ATOM 1014 O VAL A 68 -3.708 3.500 10.249 1.00 0.00 O ATOM 1015 CB VAL A 68 -5.622 3.497 7.618 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -4.319 4.074 7.064 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.363 2.801 6.470 1.00 0.00 C ATOM 0 H VAL A 68 -7.403 2.163 8.611 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.480 1.847 8.470 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.256 4.283 8.027 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.544 4.774 6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.784 4.594 7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.698 3.266 6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.578 3.525 5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.741 2.002 6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.298 2.381 6.842 1.00 0.00 H new ATOM 1027 N GLN A 69 -5.820 3.627 10.843 1.00 0.00 N ATOM 1028 CA GLN A 69 -5.480 4.354 12.095 1.00 0.00 C ATOM 1029 C GLN A 69 -4.673 3.448 13.026 1.00 0.00 C ATOM 1030 O GLN A 69 -3.754 3.886 13.689 1.00 0.00 O ATOM 1031 CB GLN A 69 -6.828 4.704 12.723 1.00 0.00 C ATOM 1032 CG GLN A 69 -6.725 6.049 13.440 1.00 0.00 C ATOM 1033 CD GLN A 69 -6.461 7.158 12.418 1.00 0.00 C ATOM 1034 OE1 GLN A 69 -6.231 6.888 11.256 1.00 0.00 O ATOM 1035 NE2 GLN A 69 -6.487 8.403 12.804 1.00 0.00 N ATOM 0 H GLN A 69 -6.815 3.452 10.701 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.873 5.240 11.910 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.599 4.749 11.953 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.125 3.927 13.427 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.647 6.254 13.984 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.921 6.020 14.175 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.680 8.631 13.779 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.314 9.149 12.131 1.00 0.00 H new ATOM 1044 N ALA A 70 -5.001 2.184 13.078 1.00 0.00 N ATOM 1045 CA ALA A 70 -4.239 1.262 13.959 1.00 0.00 C ATOM 1046 C ALA A 70 -2.840 1.061 13.382 1.00 0.00 C ATOM 1047 O ALA A 70 -1.860 0.979 14.096 1.00 0.00 O ATOM 1048 CB ALA A 70 -5.031 -0.041 13.931 1.00 0.00 C ATOM 0 H ALA A 70 -5.761 1.755 12.550 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.120 1.637 14.975 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.536 -0.781 14.559 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.039 0.138 14.306 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.086 -0.412 12.907 1.00 0.00 H new ATOM 1054 N LEU A 71 -2.747 1.000 12.083 1.00 0.00 N ATOM 1055 CA LEU A 71 -1.424 0.823 11.427 1.00 0.00 C ATOM 1056 C LEU A 71 -0.627 2.129 11.505 1.00 0.00 C ATOM 1057 O LEU A 71 0.581 2.140 11.377 1.00 0.00 O ATOM 1058 CB LEU A 71 -1.764 0.474 9.977 1.00 0.00 C ATOM 1059 CG LEU A 71 -2.579 -0.822 9.945 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -3.164 -1.021 8.545 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -1.679 -2.009 10.295 1.00 0.00 C ATOM 0 H LEU A 71 -3.539 1.066 11.443 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.812 0.054 11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.331 1.285 9.519 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.850 0.356 9.395 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.387 -0.757 10.673 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.744 -1.943 8.521 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.810 -0.179 8.298 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.354 -1.083 7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.264 -2.929 10.271 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.867 -2.076 9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.264 -1.869 11.293 1.00 0.00 H new ATOM 1073 N LYS A 72 -1.297 3.231 11.722 1.00 0.00 N ATOM 1074 CA LYS A 72 -0.584 4.536 11.817 1.00 0.00 C ATOM 1075 C LYS A 72 0.015 4.702 13.216 1.00 0.00 C ATOM 1076 O LYS A 72 1.151 5.102 13.374 1.00 0.00 O ATOM 1077 CB LYS A 72 -1.664 5.589 11.563 1.00 0.00 C ATOM 1078 CG LYS A 72 -1.023 6.975 11.490 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.388 7.170 10.113 1.00 0.00 C ATOM 1080 CE LYS A 72 -0.369 8.661 9.766 1.00 0.00 C ATOM 1081 NZ LYS A 72 0.265 8.732 8.420 1.00 0.00 N ATOM 0 H LYS A 72 -2.309 3.282 11.838 1.00 0.00 H new ATOM 0 HA LYS A 72 0.239 4.618 11.107 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.188 5.370 10.632 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.407 5.562 12.360 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.774 7.745 11.668 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.268 7.080 12.269 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.627 6.772 10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.950 6.618 9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.377 9.076 9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.199 9.231 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.315 9.724 8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.225 8.336 8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.302 8.186 7.740 1.00 0.00 H new ATOM 1095 N LYS A 73 -0.746 4.394 14.234 1.00 0.00 N ATOM 1096 CA LYS A 73 -0.224 4.526 15.625 1.00 0.00 C ATOM 1097 C LYS A 73 0.068 3.141 16.208 1.00 0.00 C ATOM 1098 O LYS A 73 -0.039 2.921 17.398 1.00 0.00 O ATOM 1099 CB LYS A 73 -1.348 5.209 16.406 1.00 0.00 C ATOM 1100 CG LYS A 73 -1.703 6.538 15.736 1.00 0.00 C ATOM 1101 CD LYS A 73 -1.188 7.696 16.592 1.00 0.00 C ATOM 1102 CE LYS A 73 -1.955 8.971 16.238 1.00 0.00 C ATOM 1103 NZ LYS A 73 -1.389 10.019 17.133 1.00 0.00 N ATOM 0 H LYS A 73 -1.706 4.057 14.161 1.00 0.00 H new ATOM 0 HA LYS A 73 0.705 5.094 15.668 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.225 4.562 16.442 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.036 5.381 17.436 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.262 6.584 14.740 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.783 6.617 15.611 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.314 7.465 17.650 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.121 7.841 16.422 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.822 9.234 15.189 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.025 8.847 16.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.865 10.926 16.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.536 9.745 18.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.370 10.119 16.949 1.00 0.00 H new ATOM 1117 N THR A 74 0.435 2.207 15.376 1.00 0.00 N ATOM 1118 CA THR A 74 0.733 0.833 15.874 1.00 0.00 C ATOM 1119 C THR A 74 1.967 0.861 16.778 1.00 0.00 C ATOM 1120 O THR A 74 2.909 1.593 16.540 1.00 0.00 O ATOM 1121 CB THR A 74 0.999 -0.023 14.624 1.00 0.00 C ATOM 1122 OG1 THR A 74 0.630 0.689 13.447 1.00 0.00 O ATOM 1123 CG2 THR A 74 0.180 -1.311 14.710 1.00 0.00 C ATOM 0 H THR A 74 0.542 2.335 14.370 1.00 0.00 H new ATOM 0 HA THR A 74 -0.091 0.428 16.461 1.00 0.00 H new ATOM 0 HB THR A 74 2.062 -0.258 14.577 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.408 1.174 13.100 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.366 -1.920 13.826 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.470 -1.867 15.601 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.880 -1.065 14.764 1.00 0.00 H new ATOM 1131 N GLY A 75 1.965 0.077 17.819 1.00 0.00 N ATOM 1132 CA GLY A 75 3.132 0.059 18.748 1.00 0.00 C ATOM 1133 C GLY A 75 4.307 -0.673 18.095 1.00 0.00 C ATOM 1134 O GLY A 75 4.217 -1.140 16.976 1.00 0.00 O ATOM 0 H GLY A 75 1.204 -0.555 18.068 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.423 1.079 19.000 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.858 -0.434 19.681 1.00 0.00 H new ATOM 1138 N LYS A 76 5.410 -0.774 18.787 1.00 0.00 N ATOM 1139 CA LYS A 76 6.598 -1.472 18.215 1.00 0.00 C ATOM 1140 C LYS A 76 6.202 -2.848 17.655 1.00 0.00 C ATOM 1141 O LYS A 76 6.505 -3.170 16.523 1.00 0.00 O ATOM 1142 CB LYS A 76 7.601 -1.607 19.376 1.00 0.00 C ATOM 1143 CG LYS A 76 6.923 -2.172 20.633 1.00 0.00 C ATOM 1144 CD LYS A 76 7.428 -1.417 21.866 1.00 0.00 C ATOM 1145 CE LYS A 76 6.849 -2.060 23.129 1.00 0.00 C ATOM 1146 NZ LYS A 76 7.357 -1.222 24.252 1.00 0.00 N ATOM 0 H LYS A 76 5.540 -0.402 19.728 1.00 0.00 H new ATOM 0 HA LYS A 76 7.032 -0.918 17.383 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.421 -2.260 19.077 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.035 -0.633 19.600 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.841 -2.074 20.551 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.140 -3.236 20.730 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.517 -1.440 21.899 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.133 -0.369 21.810 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.759 -2.069 23.104 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.174 -3.095 23.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.003 -1.599 25.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.397 -1.238 24.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.026 -0.243 24.132 1.00 0.00 H new ATOM 1160 N GLU A 77 5.520 -3.655 18.422 1.00 0.00 N ATOM 1161 CA GLU A 77 5.102 -4.992 17.909 1.00 0.00 C ATOM 1162 C GLU A 77 3.743 -4.862 17.220 1.00 0.00 C ATOM 1163 O GLU A 77 2.709 -4.939 17.853 1.00 0.00 O ATOM 1164 CB GLU A 77 4.993 -5.885 19.145 1.00 0.00 C ATOM 1165 CG GLU A 77 6.352 -5.968 19.843 1.00 0.00 C ATOM 1166 CD GLU A 77 7.342 -6.713 18.946 1.00 0.00 C ATOM 1167 OE1 GLU A 77 6.899 -7.532 18.159 1.00 0.00 O ATOM 1168 OE2 GLU A 77 8.528 -6.450 19.061 1.00 0.00 O ATOM 0 H GLU A 77 5.235 -3.448 19.379 1.00 0.00 H new ATOM 0 HA GLU A 77 5.805 -5.402 17.184 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.245 -5.485 19.830 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.660 -6.882 18.857 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.723 -4.966 20.059 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.251 -6.484 20.798 1.00 0.00 H new ATOM 1175 N VAL A 78 3.733 -4.648 15.933 1.00 0.00 N ATOM 1176 CA VAL A 78 2.437 -4.494 15.223 1.00 0.00 C ATOM 1177 C VAL A 78 1.838 -5.858 14.879 1.00 0.00 C ATOM 1178 O VAL A 78 1.903 -6.307 13.753 1.00 0.00 O ATOM 1179 CB VAL A 78 2.776 -3.721 13.950 1.00 0.00 C ATOM 1180 CG1 VAL A 78 1.507 -3.519 13.120 1.00 0.00 C ATOM 1181 CG2 VAL A 78 3.360 -2.359 14.322 1.00 0.00 C ATOM 0 H VAL A 78 4.564 -4.574 15.346 1.00 0.00 H new ATOM 0 HA VAL A 78 1.697 -3.978 15.835 1.00 0.00 H new ATOM 0 HB VAL A 78 3.505 -4.285 13.368 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.750 -2.967 12.212 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.088 -4.489 12.854 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.777 -2.956 13.702 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.602 -1.807 13.414 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.630 -1.797 14.905 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.265 -2.500 14.913 1.00 0.00 H new ATOM 1191 N VAL A 79 1.233 -6.514 15.833 1.00 0.00 N ATOM 1192 CA VAL A 79 0.607 -7.833 15.536 1.00 0.00 C ATOM 1193 C VAL A 79 -0.562 -7.595 14.585 1.00 0.00 C ATOM 1194 O VAL A 79 -1.437 -6.803 14.865 1.00 0.00 O ATOM 1195 CB VAL A 79 0.102 -8.375 16.881 1.00 0.00 C ATOM 1196 CG1 VAL A 79 -0.279 -9.848 16.721 1.00 0.00 C ATOM 1197 CG2 VAL A 79 1.195 -8.248 17.948 1.00 0.00 C ATOM 0 H VAL A 79 1.146 -6.196 16.798 1.00 0.00 H new ATOM 0 HA VAL A 79 1.298 -8.538 15.073 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.768 -7.797 17.193 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.638 -10.237 17.674 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.065 -9.941 15.972 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.594 -10.417 16.403 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.824 -8.636 18.897 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.072 -8.818 17.641 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.468 -7.199 18.066 1.00 0.00 H new ATOM 1207 N LEU A 80 -0.578 -8.235 13.454 1.00 0.00 N ATOM 1208 CA LEU A 80 -1.689 -7.989 12.495 1.00 0.00 C ATOM 1209 C LEU A 80 -2.411 -9.285 12.119 1.00 0.00 C ATOM 1210 O LEU A 80 -1.918 -10.084 11.346 1.00 0.00 O ATOM 1211 CB LEU A 80 -1.003 -7.380 11.270 1.00 0.00 C ATOM 1212 CG LEU A 80 -1.180 -5.848 11.245 1.00 0.00 C ATOM 1213 CD1 LEU A 80 -0.939 -5.240 12.634 1.00 0.00 C ATOM 1214 CD2 LEU A 80 -0.170 -5.245 10.266 1.00 0.00 C ATOM 0 H LEU A 80 0.122 -8.912 13.152 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.454 -7.339 12.920 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.059 -7.627 11.282 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.421 -7.813 10.361 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.201 -5.625 10.937 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.071 -4.159 12.586 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.651 -5.661 13.344 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.076 -5.468 12.960 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.288 -4.162 10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.841 -5.492 10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.343 -5.651 9.269 1.00 0.00 H new ATOM 1226 N GLU A 81 -3.596 -9.476 12.635 1.00 0.00 N ATOM 1227 CA GLU A 81 -4.374 -10.694 12.275 1.00 0.00 C ATOM 1228 C GLU A 81 -4.770 -10.571 10.806 1.00 0.00 C ATOM 1229 O GLU A 81 -5.390 -9.604 10.408 1.00 0.00 O ATOM 1230 CB GLU A 81 -5.607 -10.665 13.176 1.00 0.00 C ATOM 1231 CG GLU A 81 -6.472 -11.895 12.902 1.00 0.00 C ATOM 1232 CD GLU A 81 -6.866 -12.546 14.228 1.00 0.00 C ATOM 1233 OE1 GLU A 81 -7.881 -12.152 14.780 1.00 0.00 O ATOM 1234 OE2 GLU A 81 -6.145 -13.424 14.672 1.00 0.00 O ATOM 0 H GLU A 81 -4.057 -8.842 13.288 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.822 -11.624 12.408 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.304 -10.647 14.223 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.181 -9.756 12.994 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.365 -11.609 12.346 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.925 -12.607 12.283 1.00 0.00 H new ATOM 1241 N VAL A 82 -4.382 -11.504 9.986 1.00 0.00 N ATOM 1242 CA VAL A 82 -4.700 -11.378 8.536 1.00 0.00 C ATOM 1243 C VAL A 82 -5.403 -12.615 7.977 1.00 0.00 C ATOM 1244 O VAL A 82 -5.147 -13.732 8.367 1.00 0.00 O ATOM 1245 CB VAL A 82 -3.329 -11.178 7.864 1.00 0.00 C ATOM 1246 CG1 VAL A 82 -2.339 -12.239 8.350 1.00 0.00 C ATOM 1247 CG2 VAL A 82 -3.455 -11.294 6.348 1.00 0.00 C ATOM 0 H VAL A 82 -3.863 -12.341 10.251 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.392 -10.557 8.352 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.969 -10.184 8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.374 -12.085 7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.220 -12.158 9.431 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.716 -13.231 8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.477 -11.150 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.835 -12.282 6.089 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.143 -10.533 5.981 1.00 0.00 H new ATOM 1257 N LYS A 83 -6.256 -12.395 7.014 1.00 0.00 N ATOM 1258 CA LYS A 83 -6.962 -13.518 6.345 1.00 0.00 C ATOM 1259 C LYS A 83 -6.446 -13.586 4.909 1.00 0.00 C ATOM 1260 O LYS A 83 -6.977 -12.955 4.014 1.00 0.00 O ATOM 1261 CB LYS A 83 -8.446 -13.152 6.377 1.00 0.00 C ATOM 1262 CG LYS A 83 -9.246 -14.201 5.600 1.00 0.00 C ATOM 1263 CD LYS A 83 -10.694 -14.205 6.090 1.00 0.00 C ATOM 1264 CE LYS A 83 -10.841 -15.207 7.236 1.00 0.00 C ATOM 1265 NZ LYS A 83 -12.212 -14.974 7.775 1.00 0.00 N ATOM 0 H LYS A 83 -6.495 -11.469 6.659 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.802 -14.485 6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.797 -13.101 7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.598 -12.165 5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.213 -13.982 4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.802 -15.187 5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.978 -13.208 6.426 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.365 -14.470 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.724 -16.231 6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.082 -15.045 8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.389 -15.625 8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.291 -13.993 8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.913 -15.142 7.025 1.00 0.00 H new ATOM 1279 N TYR A 84 -5.385 -14.311 4.692 1.00 0.00 N ATOM 1280 CA TYR A 84 -4.795 -14.391 3.326 1.00 0.00 C ATOM 1281 C TYR A 84 -5.828 -14.870 2.306 1.00 0.00 C ATOM 1282 O TYR A 84 -6.444 -15.905 2.467 1.00 0.00 O ATOM 1283 CB TYR A 84 -3.659 -15.415 3.450 1.00 0.00 C ATOM 1284 CG TYR A 84 -2.469 -15.069 2.559 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -2.551 -14.071 1.568 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -1.268 -15.765 2.737 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -1.437 -13.782 0.773 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -0.157 -15.474 1.941 1.00 0.00 C ATOM 1289 CZ TYR A 84 -0.240 -14.483 0.959 1.00 0.00 C ATOM 1290 OH TYR A 84 0.857 -14.195 0.174 1.00 0.00 O ATOM 0 H TYR A 84 -4.898 -14.854 5.405 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.447 -13.418 2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.330 -15.466 4.488 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.033 -16.404 3.185 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.474 -13.529 1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.199 -16.532 3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.501 -13.016 0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.766 -16.015 2.085 1.00 0.00 H new ATOM 0 HH TYR A 84 1.404 -13.511 0.614 1.00 0.00 H new ATOM 1300 N MET A 85 -6.007 -14.132 1.246 1.00 0.00 N ATOM 1301 CA MET A 85 -6.979 -14.550 0.200 1.00 0.00 C ATOM 1302 C MET A 85 -6.215 -15.066 -1.020 1.00 0.00 C ATOM 1303 O MET A 85 -6.395 -14.598 -2.126 1.00 0.00 O ATOM 1304 CB MET A 85 -7.760 -13.283 -0.150 1.00 0.00 C ATOM 1305 CG MET A 85 -8.525 -12.796 1.082 1.00 0.00 C ATOM 1306 SD MET A 85 -9.928 -13.896 1.393 1.00 0.00 S ATOM 1307 CE MET A 85 -11.139 -12.613 1.793 1.00 0.00 C ATOM 0 H MET A 85 -5.520 -13.255 1.059 1.00 0.00 H new ATOM 0 HA MET A 85 -7.642 -15.348 0.534 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.078 -12.507 -0.497 1.00 0.00 H new ATOM 0 HB3 MET A 85 -8.454 -13.485 -0.966 1.00 0.00 H new ATOM 0 HG2 MET A 85 -7.865 -12.777 1.949 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.876 -11.776 0.926 1.00 0.00 H new ATOM 0 HE1 MET A 85 -12.098 -13.077 2.023 1.00 0.00 H new ATOM 0 HE2 MET A 85 -10.795 -12.044 2.657 1.00 0.00 H new ATOM 0 HE3 MET A 85 -11.255 -11.943 0.941 1.00 0.00 H new ATOM 1317 N LYS A 86 -5.352 -16.025 -0.819 1.00 0.00 N ATOM 1318 CA LYS A 86 -4.563 -16.570 -1.962 1.00 0.00 C ATOM 1319 C LYS A 86 -5.371 -17.641 -2.700 1.00 0.00 C ATOM 1320 O LYS A 86 -5.170 -17.789 -3.894 1.00 0.00 O ATOM 1321 CB LYS A 86 -3.308 -17.182 -1.332 1.00 0.00 C ATOM 1322 CG LYS A 86 -2.201 -17.267 -2.384 1.00 0.00 C ATOM 1323 CD LYS A 86 -1.577 -18.664 -2.358 1.00 0.00 C ATOM 1324 CE LYS A 86 -0.289 -18.662 -3.185 1.00 0.00 C ATOM 1325 NZ LYS A 86 0.492 -19.825 -2.678 1.00 0.00 N ATOM 1326 OXT LYS A 86 -6.177 -18.294 -2.057 1.00 0.00 O ATOM 0 H LYS A 86 -5.159 -16.454 0.086 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.314 -15.800 -2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.978 -16.575 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.531 -18.175 -0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.608 -17.058 -3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.439 -16.513 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.362 -18.959 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.279 -19.395 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.502 -18.763 -4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.262 -17.730 -3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.391 -19.892 -3.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.685 -19.698 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.055 -20.698 -2.819 1.00 0.00 H new TER 1340 LYS A 86 ATOM 1341 N LYS B 3 -10.009 2.458 -1.058 1.00 0.00 N ATOM 1342 CA LYS B 3 -9.210 3.652 -0.651 1.00 0.00 C ATOM 1343 C LYS B 3 -7.740 3.456 -1.026 1.00 0.00 C ATOM 1344 O LYS B 3 -7.077 4.370 -1.475 1.00 0.00 O ATOM 1345 CB LYS B 3 -9.362 3.734 0.867 1.00 0.00 C ATOM 1346 CG LYS B 3 -10.257 4.915 1.227 1.00 0.00 C ATOM 1347 CD LYS B 3 -11.121 4.558 2.438 1.00 0.00 C ATOM 1348 CE LYS B 3 -10.588 5.281 3.677 1.00 0.00 C ATOM 1349 NZ LYS B 3 -10.989 6.704 3.492 1.00 0.00 N ATOM 0 HA LYS B 3 -9.550 4.562 -1.146 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -9.792 2.809 1.250 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -8.384 3.849 1.335 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -9.648 5.791 1.449 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -10.891 5.174 0.379 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -12.157 4.843 2.255 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -11.111 3.480 2.600 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -11.014 4.866 4.590 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -9.505 5.183 3.757 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -10.141 7.306 3.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -11.491 6.808 2.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -11.615 6.992 4.271 1.00 0.00 H new ATOM 1363 N GLU B 4 -7.224 2.270 -0.840 1.00 0.00 N ATOM 1364 CA GLU B 4 -5.796 2.017 -1.181 1.00 0.00 C ATOM 1365 C GLU B 4 -4.901 3.035 -0.464 1.00 0.00 C ATOM 1366 O GLU B 4 -4.218 3.825 -1.085 1.00 0.00 O ATOM 1367 CB GLU B 4 -5.713 2.199 -2.698 1.00 0.00 C ATOM 1368 CG GLU B 4 -4.470 1.488 -3.235 1.00 0.00 C ATOM 1369 CD GLU B 4 -3.616 2.484 -4.023 1.00 0.00 C ATOM 1370 OE1 GLU B 4 -2.826 3.178 -3.404 1.00 0.00 O ATOM 1371 OE2 GLU B 4 -3.767 2.537 -5.233 1.00 0.00 O ATOM 0 H GLU B 4 -7.730 1.467 -0.467 1.00 0.00 H new ATOM 0 HA GLU B 4 -5.462 1.026 -0.874 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.608 1.795 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.672 3.260 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -3.893 1.069 -2.411 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -4.762 0.656 -3.875 1.00 0.00 H new ATOM 1378 N SER B 5 -4.907 3.025 0.844 1.00 0.00 N ATOM 1379 CA SER B 5 -4.066 3.995 1.609 1.00 0.00 C ATOM 1380 C SER B 5 -2.586 3.602 1.535 1.00 0.00 C ATOM 1381 O SER B 5 -2.161 2.916 0.627 1.00 0.00 O ATOM 1382 CB SER B 5 -4.571 3.904 3.048 1.00 0.00 C ATOM 1383 OG SER B 5 -4.236 5.095 3.746 1.00 0.00 O ATOM 0 H SER B 5 -5.459 2.386 1.417 1.00 0.00 H new ATOM 0 HA SER B 5 -4.142 5.006 1.209 1.00 0.00 H new ATOM 0 HB2 SER B 5 -5.651 3.757 3.057 1.00 0.00 H new ATOM 0 HB3 SER B 5 -4.128 3.042 3.546 1.00 0.00 H new ATOM 0 HG SER B 5 -5.032 5.445 4.198 1.00 0.00 H new ATOM 1389 N LEU B 6 -1.800 4.035 2.484 1.00 0.00 N ATOM 1390 CA LEU B 6 -0.348 3.690 2.469 1.00 0.00 C ATOM 1391 C LEU B 6 0.298 4.025 3.819 1.00 0.00 C ATOM 1392 O LEU B 6 0.804 5.112 4.019 1.00 0.00 O ATOM 1393 CB LEU B 6 0.255 4.561 1.365 1.00 0.00 C ATOM 1394 CG LEU B 6 1.287 3.755 0.578 1.00 0.00 C ATOM 1395 CD1 LEU B 6 1.913 4.645 -0.497 1.00 0.00 C ATOM 1396 CD2 LEU B 6 2.380 3.256 1.525 1.00 0.00 C ATOM 0 H LEU B 6 -2.100 4.613 3.269 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.184 2.627 2.293 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.531 4.914 0.697 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.724 5.444 1.800 1.00 0.00 H new ATOM 0 HG LEU B 6 0.799 2.901 0.108 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.650 4.072 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.136 5.000 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.400 5.498 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.115 2.681 0.962 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.870 4.108 1.997 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.935 2.623 2.292 1.00 0.00 H new ATOM 1408 N VAL B 7 0.294 3.103 4.744 1.00 0.00 N ATOM 1409 CA VAL B 7 0.917 3.382 6.073 1.00 0.00 C ATOM 1410 C VAL B 7 2.367 2.886 6.089 1.00 0.00 C ATOM 1411 O VAL B 7 3.000 2.992 7.127 1.00 0.00 O ATOM 1412 CB VAL B 7 0.072 2.605 7.082 1.00 0.00 C ATOM 1413 CG1 VAL B 7 0.562 2.911 8.498 1.00 0.00 C ATOM 1414 CG2 VAL B 7 -1.395 3.023 6.950 1.00 0.00 C ATOM 1415 OXT VAL B 7 2.820 2.409 5.061 1.00 0.00 O ATOM 0 H VAL B 7 -0.111 2.173 4.639 1.00 0.00 H new ATOM 0 HA VAL B 7 0.942 4.447 6.302 1.00 0.00 H new ATOM 0 HB VAL B 7 0.164 1.537 6.887 1.00 0.00 H new ATOM 0 HG11 VAL B 7 -0.040 2.358 9.219 1.00 0.00 H new ATOM 0 HG12 VAL B 7 1.607 2.614 8.594 1.00 0.00 H new ATOM 0 HG13 VAL B 7 0.469 3.980 8.692 1.00 0.00 H new ATOM 0 HG21 VAL B 7 -1.997 2.469 7.670 1.00 0.00 H new ATOM 0 HG22 VAL B 7 -1.488 4.091 7.145 1.00 0.00 H new ATOM 0 HG23 VAL B 7 -1.745 2.807 5.941 1.00 0.00 H new TER 1425 VAL B 7