USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 518 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 SER N :NH3+ 147:sc= 0.101 (180deg=0.00105) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 2 SER OG : rot 180:sc= 0.105 USER MOD Single : A 4 LYS NZ :NH3+ -158:sc= -0.0266 (180deg=-0.274) USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00852) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -7.49! C(o=-7.5!,f=-3.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -53:sc= -0.425 USER MOD Single : A 31 SER OG : rot -71:sc= 0.546 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0781 USER MOD Single : A 36 GLN : amide:sc= -9.1! C(o=-9.1!,f=-6.5!) USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0401) USER MOD Single : A 51 ASN : amide:sc= -0.377 K(o=-0.38,f=-1.7) USER MOD Single : A 55 ASN : amide:sc= -7.59! C(o=-7.6!,f=-6.6!) USER MOD Single : A 60 THR OG1 : rot -53:sc= 0.847 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 44:sc= -3.91! USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= -1.43 (180deg=-1.72!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.291 -12.329 0.854 1.00 0.00 N ATOM 2 CA SER A 1 -8.607 -11.230 0.117 1.00 0.00 C ATOM 3 C SER A 1 -8.980 -9.886 0.746 1.00 0.00 C ATOM 4 O SER A 1 -9.629 -9.059 0.135 1.00 0.00 O ATOM 5 CB SER A 1 -9.049 -11.247 -1.347 1.00 0.00 C ATOM 6 OG SER A 1 -8.924 -12.568 -1.858 1.00 0.00 O ATOM 0 H1 SER A 1 -9.522 -13.098 0.194 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.663 -12.690 1.600 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.166 -11.967 1.284 1.00 0.00 H new ATOM 0 HA SER A 1 -7.528 -11.371 0.173 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.081 -10.908 -1.432 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.438 -10.559 -1.932 1.00 0.00 H new ATOM 0 HG SER A 1 -9.208 -12.584 -2.796 1.00 0.00 H new ATOM 11 N SER A 2 -8.576 -9.659 1.966 1.00 0.00 N ATOM 12 CA SER A 2 -8.906 -8.370 2.637 1.00 0.00 C ATOM 13 C SER A 2 -7.975 -7.274 2.120 1.00 0.00 C ATOM 14 O SER A 2 -7.583 -6.393 2.854 1.00 0.00 O ATOM 15 CB SER A 2 -8.718 -8.518 4.151 1.00 0.00 C ATOM 16 OG SER A 2 -8.576 -9.894 4.473 1.00 0.00 O ATOM 0 H SER A 2 -8.030 -10.312 2.528 1.00 0.00 H new ATOM 0 HA SER A 2 -9.941 -8.105 2.421 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.837 -7.964 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.573 -8.095 4.678 1.00 0.00 H new ATOM 0 HG SER A 2 -8.454 -9.993 5.440 1.00 0.00 H new ATOM 22 N ALA A 3 -7.609 -7.317 0.874 1.00 0.00 N ATOM 23 CA ALA A 3 -6.695 -6.270 0.350 1.00 0.00 C ATOM 24 C ALA A 3 -7.477 -4.993 0.055 1.00 0.00 C ATOM 25 O ALA A 3 -6.993 -3.896 0.258 1.00 0.00 O ATOM 26 CB ALA A 3 -6.022 -6.761 -0.927 1.00 0.00 C ATOM 0 H ALA A 3 -7.900 -8.025 0.200 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.934 -6.059 1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.353 -5.988 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.449 -7.663 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.782 -6.983 -1.677 1.00 0.00 H new ATOM 32 N LYS A 4 -8.692 -5.119 -0.396 1.00 0.00 N ATOM 33 CA LYS A 4 -9.499 -3.902 -0.670 1.00 0.00 C ATOM 34 C LYS A 4 -10.036 -3.395 0.667 1.00 0.00 C ATOM 35 O LYS A 4 -10.132 -2.210 0.907 1.00 0.00 O ATOM 36 CB LYS A 4 -10.649 -4.246 -1.623 1.00 0.00 C ATOM 37 CG LYS A 4 -11.698 -3.121 -1.610 1.00 0.00 C ATOM 38 CD LYS A 4 -12.300 -2.951 -3.012 1.00 0.00 C ATOM 39 CE LYS A 4 -11.401 -2.040 -3.854 1.00 0.00 C ATOM 40 NZ LYS A 4 -11.559 -0.628 -3.398 1.00 0.00 N ATOM 0 H LYS A 4 -9.158 -6.006 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.893 -3.130 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.265 -4.385 -2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.110 -5.188 -1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.485 -3.354 -0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.238 -2.187 -1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.403 -3.923 -3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.300 -2.524 -2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.360 -2.350 -3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.664 -2.125 -4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.270 0.017 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.554 -0.451 -3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.963 -0.465 -2.561 1.00 0.00 H new ATOM 54 N ARG A 5 -10.365 -4.302 1.546 1.00 0.00 N ATOM 55 CA ARG A 5 -10.875 -3.903 2.886 1.00 0.00 C ATOM 56 C ARG A 5 -9.795 -3.095 3.601 1.00 0.00 C ATOM 57 O ARG A 5 -10.031 -2.011 4.097 1.00 0.00 O ATOM 58 CB ARG A 5 -11.149 -5.162 3.703 1.00 0.00 C ATOM 59 CG ARG A 5 -11.940 -4.803 4.969 1.00 0.00 C ATOM 60 CD ARG A 5 -11.518 -5.721 6.120 1.00 0.00 C ATOM 61 NE ARG A 5 -10.167 -5.318 6.604 1.00 0.00 N ATOM 62 CZ ARG A 5 -9.731 -5.750 7.755 1.00 0.00 C ATOM 63 NH1 ARG A 5 -10.476 -6.536 8.483 1.00 0.00 N ATOM 64 NH2 ARG A 5 -8.549 -5.396 8.180 1.00 0.00 N ATOM 0 H ARG A 5 -10.302 -5.308 1.391 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.785 -3.313 2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.710 -5.879 3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.208 -5.641 3.975 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.762 -3.762 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.009 -4.906 4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.241 -5.659 6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.502 -6.758 5.786 1.00 0.00 H new ATOM 0 HE ARG A 5 -9.584 -4.704 6.035 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.400 -6.813 8.152 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.134 -6.873 9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.966 -4.781 7.612 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.208 -5.734 9.080 1.00 0.00 H new ATOM 78 N VAL A 6 -8.609 -3.630 3.658 1.00 0.00 N ATOM 79 CA VAL A 6 -7.500 -2.920 4.340 1.00 0.00 C ATOM 80 C VAL A 6 -7.285 -1.577 3.635 1.00 0.00 C ATOM 81 O VAL A 6 -7.090 -0.553 4.262 1.00 0.00 O ATOM 82 CB VAL A 6 -6.238 -3.811 4.276 1.00 0.00 C ATOM 83 CG1 VAL A 6 -5.288 -3.349 3.168 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.512 -3.788 5.630 1.00 0.00 C ATOM 0 H VAL A 6 -8.361 -4.535 3.258 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.728 -2.726 5.388 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.554 -4.829 4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.410 -3.995 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.798 -3.401 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.978 -2.322 3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.624 -4.418 5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.218 -2.766 5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.178 -4.164 6.406 1.00 0.00 H new ATOM 94 N PHE A 7 -7.339 -1.579 2.335 1.00 0.00 N ATOM 95 CA PHE A 7 -7.159 -0.301 1.590 1.00 0.00 C ATOM 96 C PHE A 7 -8.238 0.681 2.061 1.00 0.00 C ATOM 97 O PHE A 7 -7.951 1.813 2.389 1.00 0.00 O ATOM 98 CB PHE A 7 -7.264 -0.551 0.077 1.00 0.00 C ATOM 99 CG PHE A 7 -7.438 0.749 -0.700 1.00 0.00 C ATOM 100 CD1 PHE A 7 -7.244 2.005 -0.099 1.00 0.00 C ATOM 101 CD2 PHE A 7 -7.824 0.690 -2.043 1.00 0.00 C ATOM 102 CE1 PHE A 7 -7.445 3.173 -0.834 1.00 0.00 C ATOM 103 CE2 PHE A 7 -8.008 1.865 -2.770 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.819 3.105 -2.162 1.00 0.00 C ATOM 0 H PHE A 7 -7.499 -2.404 1.757 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.172 0.119 1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.367 -1.065 -0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.108 -1.211 -0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.938 2.066 0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.980 -0.268 -2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.308 4.135 -0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.298 1.814 -3.809 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.965 4.012 -2.729 1.00 0.00 H new ATOM 114 N GLU A 8 -9.471 0.268 2.135 1.00 0.00 N ATOM 115 CA GLU A 8 -10.519 1.213 2.610 1.00 0.00 C ATOM 116 C GLU A 8 -10.037 1.853 3.913 1.00 0.00 C ATOM 117 O GLU A 8 -10.035 3.056 4.072 1.00 0.00 O ATOM 118 CB GLU A 8 -11.824 0.455 2.863 1.00 0.00 C ATOM 119 CG GLU A 8 -12.472 0.091 1.524 1.00 0.00 C ATOM 120 CD GLU A 8 -13.591 -0.925 1.759 1.00 0.00 C ATOM 121 OE1 GLU A 8 -13.944 -1.134 2.908 1.00 0.00 O ATOM 122 OE2 GLU A 8 -14.076 -1.477 0.785 1.00 0.00 O ATOM 0 H GLU A 8 -9.796 -0.668 1.892 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.698 1.980 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.626 -0.448 3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.505 1.068 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.873 0.985 1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.725 -0.324 0.847 1.00 0.00 H new ATOM 129 N LYS A 9 -9.622 1.052 4.848 1.00 0.00 N ATOM 130 CA LYS A 9 -9.136 1.605 6.140 1.00 0.00 C ATOM 131 C LYS A 9 -8.057 2.655 5.869 1.00 0.00 C ATOM 132 O LYS A 9 -7.977 3.664 6.542 1.00 0.00 O ATOM 133 CB LYS A 9 -8.544 0.474 6.983 1.00 0.00 C ATOM 134 CG LYS A 9 -9.634 -0.137 7.870 1.00 0.00 C ATOM 135 CD LYS A 9 -10.859 -0.485 7.014 1.00 0.00 C ATOM 136 CE LYS A 9 -11.627 -1.643 7.659 1.00 0.00 C ATOM 137 NZ LYS A 9 -12.937 -1.814 6.971 1.00 0.00 N ATOM 0 H LYS A 9 -9.598 0.035 4.775 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.966 2.065 6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.119 -0.292 6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.731 0.856 7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.256 -1.033 8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.914 0.565 8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.507 0.386 6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.545 -0.760 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.045 -2.562 7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.784 -1.444 8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.437 -2.632 7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.512 -0.957 7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.778 -1.972 5.956 1.00 0.00 H new ATOM 151 N PHE A 10 -7.221 2.423 4.895 1.00 0.00 N ATOM 152 CA PHE A 10 -6.142 3.398 4.589 1.00 0.00 C ATOM 153 C PHE A 10 -6.618 4.409 3.565 1.00 0.00 C ATOM 154 O PHE A 10 -6.037 5.466 3.444 1.00 0.00 O ATOM 155 CB PHE A 10 -4.935 2.651 4.055 1.00 0.00 C ATOM 156 CG PHE A 10 -4.659 1.459 4.947 1.00 0.00 C ATOM 157 CD1 PHE A 10 -4.634 1.619 6.341 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.417 0.196 4.388 1.00 0.00 C ATOM 159 CE1 PHE A 10 -4.372 0.523 7.170 1.00 0.00 C ATOM 160 CE2 PHE A 10 -4.154 -0.899 5.222 1.00 0.00 C ATOM 161 CZ PHE A 10 -4.133 -0.736 6.612 1.00 0.00 C ATOM 0 H PHE A 10 -7.240 1.597 4.297 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.871 3.932 5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.118 2.322 3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.067 3.309 4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.818 2.591 6.775 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.433 0.067 3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.354 0.650 8.242 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.967 -1.871 4.791 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.932 -1.582 7.253 1.00 0.00 H new ATOM 171 N ASP A 11 -7.659 4.133 2.822 1.00 0.00 N ATOM 172 CA ASP A 11 -8.104 5.155 1.840 1.00 0.00 C ATOM 173 C ASP A 11 -8.311 6.455 2.605 1.00 0.00 C ATOM 174 O ASP A 11 -9.398 6.843 2.979 1.00 0.00 O ATOM 175 CB ASP A 11 -9.381 4.699 1.106 1.00 0.00 C ATOM 176 CG ASP A 11 -10.641 5.031 1.915 1.00 0.00 C ATOM 177 OD1 ASP A 11 -11.116 6.146 1.802 1.00 0.00 O ATOM 178 OD2 ASP A 11 -11.119 4.159 2.619 1.00 0.00 O ATOM 0 H ASP A 11 -8.203 3.271 2.852 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.353 5.302 1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.435 5.184 0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.335 3.625 0.926 1.00 0.00 H new ATOM 183 N LYS A 12 -7.227 7.112 2.838 1.00 0.00 N ATOM 184 CA LYS A 12 -7.231 8.391 3.574 1.00 0.00 C ATOM 185 C LYS A 12 -7.580 9.517 2.603 1.00 0.00 C ATOM 186 O LYS A 12 -7.855 10.635 2.990 1.00 0.00 O ATOM 187 CB LYS A 12 -5.827 8.559 4.150 1.00 0.00 C ATOM 188 CG LYS A 12 -5.216 9.896 3.748 1.00 0.00 C ATOM 189 CD LYS A 12 -3.827 10.000 4.377 1.00 0.00 C ATOM 190 CE LYS A 12 -2.925 10.889 3.514 1.00 0.00 C ATOM 191 NZ LYS A 12 -1.965 11.621 4.390 1.00 0.00 N ATOM 0 H LYS A 12 -6.302 6.805 2.538 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.967 8.412 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.867 8.488 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.190 7.747 3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.147 9.971 2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.847 10.718 4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.904 10.414 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.388 9.007 4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.383 10.281 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.529 11.597 2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.352 12.225 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.492 12.212 5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.381 10.937 4.912 1.00 0.00 H new ATOM 205 N ASN A 13 -7.603 9.201 1.342 1.00 0.00 N ATOM 206 CA ASN A 13 -7.963 10.189 0.306 1.00 0.00 C ATOM 207 C ASN A 13 -9.226 9.693 -0.420 1.00 0.00 C ATOM 208 O ASN A 13 -9.570 10.168 -1.482 1.00 0.00 O ATOM 209 CB ASN A 13 -6.806 10.306 -0.684 1.00 0.00 C ATOM 210 CG ASN A 13 -7.163 11.371 -1.700 1.00 0.00 C ATOM 211 OD1 ASN A 13 -6.444 11.603 -2.652 1.00 0.00 O ATOM 212 ND2 ASN A 13 -8.264 12.035 -1.527 1.00 0.00 N ATOM 0 H ASN A 13 -7.381 8.273 0.982 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.156 11.165 0.752 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.885 10.569 -0.164 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.630 9.351 -1.179 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.533 12.759 -2.193 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.861 11.833 -0.725 1.00 0.00 H new ATOM 219 N LYS A 14 -9.905 8.725 0.158 1.00 0.00 N ATOM 220 CA LYS A 14 -11.141 8.169 -0.485 1.00 0.00 C ATOM 221 C LYS A 14 -11.019 8.386 -1.990 1.00 0.00 C ATOM 222 O LYS A 14 -11.885 8.937 -2.640 1.00 0.00 O ATOM 223 CB LYS A 14 -12.380 8.892 0.047 1.00 0.00 C ATOM 224 CG LYS A 14 -12.194 9.213 1.531 1.00 0.00 C ATOM 225 CD LYS A 14 -13.516 9.720 2.111 1.00 0.00 C ATOM 226 CE LYS A 14 -13.351 10.001 3.606 1.00 0.00 C ATOM 227 NZ LYS A 14 -14.689 9.992 4.264 1.00 0.00 N ATOM 0 H LYS A 14 -9.655 8.296 1.049 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.242 7.108 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.546 9.811 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.264 8.269 -0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.866 8.323 2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.416 9.966 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.827 10.627 1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.300 8.979 1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.706 9.248 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.867 10.967 3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.577 10.183 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.290 10.726 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.134 9.061 4.134 1.00 0.00 H new ATOM 241 N ASP A 15 -9.899 7.994 -2.509 1.00 0.00 N ATOM 242 CA ASP A 15 -9.619 8.203 -3.945 1.00 0.00 C ATOM 243 C ASP A 15 -9.662 6.888 -4.691 1.00 0.00 C ATOM 244 O ASP A 15 -9.949 6.863 -5.873 1.00 0.00 O ATOM 245 CB ASP A 15 -8.230 8.830 -4.100 1.00 0.00 C ATOM 246 CG ASP A 15 -8.114 9.483 -5.479 1.00 0.00 C ATOM 247 OD1 ASP A 15 -8.904 9.140 -6.343 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.238 10.316 -5.646 1.00 0.00 O ATOM 0 H ASP A 15 -9.154 7.530 -1.990 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.378 8.866 -4.361 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.066 9.573 -3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.460 8.068 -3.981 1.00 0.00 H new ATOM 253 N GLY A 16 -9.331 5.788 -4.067 1.00 0.00 N ATOM 254 CA GLY A 16 -9.310 4.515 -4.824 1.00 0.00 C ATOM 255 C GLY A 16 -7.863 4.270 -5.158 1.00 0.00 C ATOM 256 O GLY A 16 -7.516 3.410 -5.944 1.00 0.00 O ATOM 0 H GLY A 16 -9.079 5.721 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.719 3.698 -4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.915 4.586 -5.728 1.00 0.00 H new ATOM 260 N LYS A 17 -7.012 5.021 -4.506 1.00 0.00 N ATOM 261 CA LYS A 17 -5.562 4.872 -4.691 1.00 0.00 C ATOM 262 C LYS A 17 -4.835 5.314 -3.437 1.00 0.00 C ATOM 263 O LYS A 17 -5.227 6.234 -2.746 1.00 0.00 O ATOM 264 CB LYS A 17 -5.049 5.713 -5.831 1.00 0.00 C ATOM 265 CG LYS A 17 -5.762 5.366 -7.147 1.00 0.00 C ATOM 266 CD LYS A 17 -6.922 6.340 -7.376 1.00 0.00 C ATOM 267 CE LYS A 17 -6.371 7.671 -7.900 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.274 7.615 -9.387 1.00 0.00 N ATOM 0 H LYS A 17 -7.282 5.745 -3.840 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.378 3.820 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.197 6.768 -5.602 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.976 5.559 -5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.059 5.420 -7.978 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.135 4.342 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.629 5.919 -8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.467 6.500 -6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.022 8.491 -7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.390 7.867 -7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.900 8.517 -9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.636 6.842 -9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.218 7.447 -9.790 1.00 0.00 H new ATOM 282 N LEU A 18 -3.757 4.662 -3.175 1.00 0.00 N ATOM 283 CA LEU A 18 -2.922 4.992 -2.008 1.00 0.00 C ATOM 284 C LEU A 18 -1.582 5.490 -2.454 1.00 0.00 C ATOM 285 O LEU A 18 -1.118 5.189 -3.518 1.00 0.00 O ATOM 286 CB LEU A 18 -2.689 3.782 -1.180 1.00 0.00 C ATOM 287 CG LEU A 18 -3.504 3.871 0.078 1.00 0.00 C ATOM 288 CD1 LEU A 18 -4.974 3.771 -0.224 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.075 2.735 0.970 1.00 0.00 C ATOM 0 H LEU A 18 -3.407 3.888 -3.739 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.446 5.755 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.961 2.887 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.631 3.695 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.340 4.832 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.542 3.838 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.265 4.585 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.182 2.817 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.646 2.765 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.255 1.787 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.013 2.830 1.195 1.00 0.00 H new ATOM 301 N SER A 19 -0.946 6.208 -1.606 1.00 0.00 N ATOM 302 CA SER A 19 0.397 6.719 -1.904 1.00 0.00 C ATOM 303 C SER A 19 1.372 5.880 -1.111 1.00 0.00 C ATOM 304 O SER A 19 1.038 5.362 -0.064 1.00 0.00 O ATOM 305 CB SER A 19 0.496 8.159 -1.434 1.00 0.00 C ATOM 306 OG SER A 19 -0.745 8.815 -1.655 1.00 0.00 O ATOM 0 H SER A 19 -1.309 6.472 -0.690 1.00 0.00 H new ATOM 0 HA SER A 19 0.608 6.672 -2.972 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.753 8.190 -0.375 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.293 8.674 -1.971 1.00 0.00 H new ATOM 0 HG SER A 19 -1.012 8.703 -2.591 1.00 0.00 H new ATOM 312 N LEU A 20 2.571 5.749 -1.563 1.00 0.00 N ATOM 313 CA LEU A 20 3.537 4.960 -0.787 1.00 0.00 C ATOM 314 C LEU A 20 3.482 5.510 0.615 1.00 0.00 C ATOM 315 O LEU A 20 3.770 4.857 1.593 1.00 0.00 O ATOM 316 CB LEU A 20 4.913 5.176 -1.394 1.00 0.00 C ATOM 317 CG LEU A 20 5.934 4.211 -0.811 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.644 4.875 0.351 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.273 2.917 -0.326 1.00 0.00 C ATOM 0 H LEU A 20 2.923 6.152 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 20 3.321 3.892 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.861 5.044 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.235 6.202 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 20 6.645 3.955 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.377 4.186 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.151 5.775 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.916 5.143 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.033 2.252 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.540 3.150 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.775 2.427 -1.163 1.00 0.00 H new ATOM 331 N ASP A 21 3.034 6.709 0.681 1.00 0.00 N ATOM 332 CA ASP A 21 2.853 7.378 1.985 1.00 0.00 C ATOM 333 C ASP A 21 1.749 6.643 2.761 1.00 0.00 C ATOM 334 O ASP A 21 1.908 6.361 3.931 1.00 0.00 O ATOM 335 CB ASP A 21 2.456 8.843 1.768 1.00 0.00 C ATOM 336 CG ASP A 21 3.102 9.364 0.482 1.00 0.00 C ATOM 337 OD1 ASP A 21 4.229 8.984 0.213 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.458 10.134 -0.210 1.00 0.00 O ATOM 0 H ASP A 21 2.777 7.273 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 21 3.784 7.352 2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.371 8.931 1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.775 9.447 2.618 1.00 0.00 H new ATOM 343 N GLU A 22 0.625 6.323 2.141 1.00 0.00 N ATOM 344 CA GLU A 22 -0.440 5.615 2.895 1.00 0.00 C ATOM 345 C GLU A 22 -0.021 4.165 3.124 1.00 0.00 C ATOM 346 O GLU A 22 -0.204 3.619 4.190 1.00 0.00 O ATOM 347 CB GLU A 22 -1.745 5.651 2.109 1.00 0.00 C ATOM 348 CG GLU A 22 -2.386 7.030 2.244 1.00 0.00 C ATOM 349 CD GLU A 22 -1.379 8.109 1.843 1.00 0.00 C ATOM 350 OE1 GLU A 22 -1.340 8.449 0.673 1.00 0.00 O ATOM 351 OE2 GLU A 22 -0.668 8.577 2.716 1.00 0.00 O ATOM 0 H GLU A 22 0.414 6.523 1.163 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.589 6.109 3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.555 5.428 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.426 4.885 2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.272 7.093 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.715 7.190 3.271 1.00 0.00 H new ATOM 358 N PHE A 23 0.571 3.550 2.134 1.00 0.00 N ATOM 359 CA PHE A 23 1.029 2.155 2.289 1.00 0.00 C ATOM 360 C PHE A 23 2.256 2.138 3.209 1.00 0.00 C ATOM 361 O PHE A 23 2.545 1.146 3.843 1.00 0.00 O ATOM 362 CB PHE A 23 1.413 1.573 0.949 1.00 0.00 C ATOM 363 CG PHE A 23 1.909 0.166 1.148 1.00 0.00 C ATOM 364 CD1 PHE A 23 3.229 -0.046 1.539 1.00 0.00 C ATOM 365 CD2 PHE A 23 1.052 -0.920 0.947 1.00 0.00 C ATOM 366 CE1 PHE A 23 3.702 -1.349 1.734 1.00 0.00 C ATOM 367 CE2 PHE A 23 1.522 -2.225 1.143 1.00 0.00 C ATOM 368 CZ PHE A 23 2.848 -2.440 1.535 1.00 0.00 C ATOM 0 H PHE A 23 0.754 3.965 1.221 1.00 0.00 H new ATOM 0 HA PHE A 23 0.221 1.560 2.715 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.555 1.578 0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.187 2.182 0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.888 0.796 1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.030 -0.753 0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.725 -1.512 2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.861 -3.065 0.992 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.212 -3.446 1.684 1.00 0.00 H new ATOM 378 N ARG A 24 2.968 3.240 3.311 1.00 0.00 N ATOM 379 CA ARG A 24 4.151 3.300 4.224 1.00 0.00 C ATOM 380 C ARG A 24 3.631 3.517 5.641 1.00 0.00 C ATOM 381 O ARG A 24 4.176 3.030 6.604 1.00 0.00 O ATOM 382 CB ARG A 24 5.055 4.458 3.803 1.00 0.00 C ATOM 383 CG ARG A 24 6.152 4.651 4.838 1.00 0.00 C ATOM 384 CD ARG A 24 7.074 5.782 4.395 1.00 0.00 C ATOM 385 NE ARG A 24 6.334 7.074 4.445 1.00 0.00 N ATOM 386 CZ ARG A 24 6.985 8.203 4.394 1.00 0.00 C ATOM 387 NH1 ARG A 24 8.287 8.202 4.304 1.00 0.00 N ATOM 388 NH2 ARG A 24 6.336 9.335 4.435 1.00 0.00 N ATOM 0 H ARG A 24 2.777 4.101 2.798 1.00 0.00 H new ATOM 0 HA ARG A 24 4.730 2.378 4.178 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.494 4.253 2.827 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.470 5.372 3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.714 4.883 5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.721 3.729 4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.950 5.827 5.043 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.435 5.596 3.383 1.00 0.00 H new ATOM 0 HE ARG A 24 5.317 7.076 4.519 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.795 7.318 4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.796 9.085 4.264 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.319 9.337 4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.846 10.217 4.395 1.00 0.00 H new ATOM 402 N GLU A 25 2.523 4.187 5.746 1.00 0.00 N ATOM 403 CA GLU A 25 1.891 4.374 7.075 1.00 0.00 C ATOM 404 C GLU A 25 1.284 3.019 7.399 1.00 0.00 C ATOM 405 O GLU A 25 1.294 2.535 8.511 1.00 0.00 O ATOM 406 CB GLU A 25 0.800 5.442 6.985 1.00 0.00 C ATOM 407 CG GLU A 25 -0.038 5.416 8.262 1.00 0.00 C ATOM 408 CD GLU A 25 -0.793 6.740 8.409 1.00 0.00 C ATOM 409 OE1 GLU A 25 -1.788 6.910 7.724 1.00 0.00 O ATOM 410 OE2 GLU A 25 -0.363 7.558 9.203 1.00 0.00 O ATOM 0 H GLU A 25 2.026 4.615 4.965 1.00 0.00 H new ATOM 0 HA GLU A 25 2.597 4.702 7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.249 6.426 6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.167 5.259 6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.743 4.586 8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.605 5.254 9.127 1.00 0.00 H new ATOM 417 N VAL A 26 0.787 2.411 6.365 1.00 0.00 N ATOM 418 CA VAL A 26 0.173 1.058 6.416 1.00 0.00 C ATOM 419 C VAL A 26 1.240 0.030 6.757 1.00 0.00 C ATOM 420 O VAL A 26 1.030 -0.901 7.507 1.00 0.00 O ATOM 421 CB VAL A 26 -0.286 0.793 4.982 1.00 0.00 C ATOM 422 CG1 VAL A 26 -0.068 -0.654 4.545 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.734 1.147 4.792 1.00 0.00 C ATOM 0 H VAL A 26 0.782 2.822 5.432 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.629 0.998 7.152 1.00 0.00 H new ATOM 0 HB VAL A 26 0.334 1.435 4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.413 -0.780 3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.993 -0.896 4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.628 -1.320 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.026 0.946 3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.346 0.548 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.882 2.205 5.011 1.00 0.00 H new ATOM 433 N ALA A 27 2.370 0.188 6.145 1.00 0.00 N ATOM 434 CA ALA A 27 3.476 -0.771 6.335 1.00 0.00 C ATOM 435 C ALA A 27 4.174 -0.505 7.666 1.00 0.00 C ATOM 436 O ALA A 27 4.507 -1.407 8.404 1.00 0.00 O ATOM 437 CB ALA A 27 4.469 -0.610 5.179 1.00 0.00 C ATOM 0 H ALA A 27 2.577 0.958 5.508 1.00 0.00 H new ATOM 0 HA ALA A 27 3.086 -1.789 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.292 -1.313 5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.963 -0.810 4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.859 0.408 5.173 1.00 0.00 H new ATOM 443 N LEU A 28 4.390 0.736 7.966 1.00 0.00 N ATOM 444 CA LEU A 28 5.065 1.091 9.240 1.00 0.00 C ATOM 445 C LEU A 28 4.108 0.853 10.403 1.00 0.00 C ATOM 446 O LEU A 28 4.519 0.524 11.499 1.00 0.00 O ATOM 447 CB LEU A 28 5.468 2.565 9.221 1.00 0.00 C ATOM 448 CG LEU A 28 6.805 2.755 8.477 1.00 0.00 C ATOM 449 CD1 LEU A 28 6.926 1.781 7.296 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.886 4.192 7.952 1.00 0.00 C ATOM 0 H LEU A 28 4.127 1.529 7.381 1.00 0.00 H new ATOM 0 HA LEU A 28 5.955 0.472 9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.689 3.154 8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.558 2.936 10.242 1.00 0.00 H new ATOM 0 HG LEU A 28 7.619 2.555 9.174 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.879 1.939 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.875 0.756 7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.110 1.956 6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.829 4.334 7.424 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.057 4.377 7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.830 4.889 8.788 1.00 0.00 H new ATOM 462 N ALA A 29 2.833 1.021 10.183 1.00 0.00 N ATOM 463 CA ALA A 29 1.847 0.811 11.277 1.00 0.00 C ATOM 464 C ALA A 29 1.593 -0.683 11.513 1.00 0.00 C ATOM 465 O ALA A 29 1.789 -1.195 12.596 1.00 0.00 O ATOM 466 CB ALA A 29 0.535 1.481 10.870 1.00 0.00 C ATOM 0 H ALA A 29 2.431 1.296 9.287 1.00 0.00 H new ATOM 0 HA ALA A 29 2.240 1.240 12.199 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.205 1.340 11.658 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.703 2.547 10.716 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.170 1.034 9.945 1.00 0.00 H new ATOM 472 N PHE A 30 1.120 -1.374 10.509 1.00 0.00 N ATOM 473 CA PHE A 30 0.806 -2.826 10.668 1.00 0.00 C ATOM 474 C PHE A 30 2.091 -3.654 10.774 1.00 0.00 C ATOM 475 O PHE A 30 2.242 -4.465 11.666 1.00 0.00 O ATOM 476 CB PHE A 30 -0.007 -3.296 9.454 1.00 0.00 C ATOM 477 CG PHE A 30 -0.986 -4.370 9.874 1.00 0.00 C ATOM 478 CD1 PHE A 30 -0.513 -5.578 10.400 1.00 0.00 C ATOM 479 CD2 PHE A 30 -2.364 -4.158 9.737 1.00 0.00 C ATOM 480 CE1 PHE A 30 -1.417 -6.575 10.788 1.00 0.00 C ATOM 481 CE2 PHE A 30 -3.268 -5.154 10.127 1.00 0.00 C ATOM 482 CZ PHE A 30 -2.795 -6.361 10.653 1.00 0.00 C ATOM 0 H PHE A 30 0.937 -0.993 9.581 1.00 0.00 H new ATOM 0 HA PHE A 30 0.232 -2.965 11.584 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.543 -2.454 9.017 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.662 -3.682 8.685 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.549 -5.741 10.507 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.729 -3.226 9.331 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.052 -7.508 11.191 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.330 -4.990 10.022 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.492 -7.128 10.955 1.00 0.00 H new ATOM 492 N SER A 31 3.012 -3.464 9.869 1.00 0.00 N ATOM 493 CA SER A 31 4.284 -4.248 9.911 1.00 0.00 C ATOM 494 C SER A 31 5.471 -3.285 9.954 1.00 0.00 C ATOM 495 O SER A 31 6.074 -2.996 8.941 1.00 0.00 O ATOM 496 CB SER A 31 4.381 -5.114 8.657 1.00 0.00 C ATOM 497 OG SER A 31 5.724 -5.544 8.487 1.00 0.00 O ATOM 0 H SER A 31 2.940 -2.798 9.099 1.00 0.00 H new ATOM 0 HA SER A 31 4.296 -4.882 10.798 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.719 -5.976 8.744 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.055 -4.548 7.784 1.00 0.00 H new ATOM 0 HG SER A 31 6.281 -4.782 8.224 1.00 0.00 H new ATOM 503 N PRO A 32 5.802 -2.779 11.116 1.00 0.00 N ATOM 504 CA PRO A 32 6.933 -1.819 11.273 1.00 0.00 C ATOM 505 C PRO A 32 8.266 -2.410 10.813 1.00 0.00 C ATOM 506 O PRO A 32 9.234 -1.698 10.633 1.00 0.00 O ATOM 507 CB PRO A 32 6.963 -1.504 12.777 1.00 0.00 C ATOM 508 CG PRO A 32 6.169 -2.586 13.435 1.00 0.00 C ATOM 509 CD PRO A 32 5.150 -3.066 12.403 1.00 0.00 C ATOM 0 HA PRO A 32 6.790 -0.931 10.657 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.986 -1.486 13.153 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.532 -0.524 12.980 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.816 -3.404 13.751 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.669 -2.212 14.328 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.935 -4.129 12.516 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.202 -2.537 12.499 1.00 0.00 H new ATOM 517 N TYR A 33 8.337 -3.699 10.626 1.00 0.00 N ATOM 518 CA TYR A 33 9.619 -4.308 10.186 1.00 0.00 C ATOM 519 C TYR A 33 9.832 -4.058 8.690 1.00 0.00 C ATOM 520 O TYR A 33 10.905 -4.289 8.169 1.00 0.00 O ATOM 521 CB TYR A 33 9.584 -5.814 10.452 1.00 0.00 C ATOM 522 CG TYR A 33 9.028 -6.065 11.834 1.00 0.00 C ATOM 523 CD1 TYR A 33 9.739 -5.638 12.962 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.803 -6.727 11.987 1.00 0.00 C ATOM 525 CE1 TYR A 33 9.225 -5.871 14.243 1.00 0.00 C ATOM 526 CE2 TYR A 33 7.290 -6.960 13.269 1.00 0.00 C ATOM 527 CZ TYR A 33 8.000 -6.531 14.397 1.00 0.00 C ATOM 528 OH TYR A 33 7.493 -6.762 15.660 1.00 0.00 O ATOM 0 H TYR A 33 7.565 -4.353 10.759 1.00 0.00 H new ATOM 0 HA TYR A 33 10.440 -3.856 10.743 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.968 -6.313 9.704 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.587 -6.233 10.370 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.684 -5.129 12.844 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.255 -7.057 11.117 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.774 -5.541 15.113 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.346 -7.471 13.388 1.00 0.00 H new ATOM 0 HH TYR A 33 6.635 -7.229 15.588 1.00 0.00 H new ATOM 538 N PHE A 34 8.835 -3.582 7.989 1.00 0.00 N ATOM 539 CA PHE A 34 9.034 -3.327 6.532 1.00 0.00 C ATOM 540 C PHE A 34 10.040 -2.218 6.373 1.00 0.00 C ATOM 541 O PHE A 34 9.873 -1.124 6.876 1.00 0.00 O ATOM 542 CB PHE A 34 7.724 -2.898 5.842 1.00 0.00 C ATOM 543 CG PHE A 34 7.228 -3.983 4.917 1.00 0.00 C ATOM 544 CD1 PHE A 34 7.779 -4.117 3.635 1.00 0.00 C ATOM 545 CD2 PHE A 34 6.217 -4.848 5.337 1.00 0.00 C ATOM 546 CE1 PHE A 34 7.316 -5.122 2.779 1.00 0.00 C ATOM 547 CE2 PHE A 34 5.752 -5.852 4.481 1.00 0.00 C ATOM 548 CZ PHE A 34 6.303 -5.992 3.203 1.00 0.00 C ATOM 0 H PHE A 34 7.908 -3.362 8.354 1.00 0.00 H new ATOM 0 HA PHE A 34 9.379 -4.251 6.069 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.966 -2.680 6.594 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.888 -1.980 5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.560 -3.446 3.309 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.793 -4.742 6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.740 -5.227 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.968 -6.519 4.807 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.948 -6.770 2.544 1.00 0.00 H new ATOM 558 N THR A 35 11.088 -2.489 5.669 1.00 0.00 N ATOM 559 CA THR A 35 12.098 -1.446 5.478 1.00 0.00 C ATOM 560 C THR A 35 11.623 -0.489 4.410 1.00 0.00 C ATOM 561 O THR A 35 11.034 -0.870 3.421 1.00 0.00 O ATOM 562 CB THR A 35 13.422 -2.076 5.077 1.00 0.00 C ATOM 563 OG1 THR A 35 13.258 -3.479 4.928 1.00 0.00 O ATOM 564 CG2 THR A 35 14.420 -1.786 6.177 1.00 0.00 C ATOM 0 H THR A 35 11.285 -3.384 5.221 1.00 0.00 H new ATOM 0 HA THR A 35 12.246 -0.899 6.409 1.00 0.00 H new ATOM 0 HB THR A 35 13.772 -1.668 4.129 1.00 0.00 H new ATOM 0 HG1 THR A 35 14.112 -3.882 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.383 -2.226 5.919 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.532 -0.708 6.291 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.064 -2.215 7.114 1.00 0.00 H new ATOM 572 N GLN A 36 11.877 0.755 4.616 1.00 0.00 N ATOM 573 CA GLN A 36 11.445 1.769 3.643 1.00 0.00 C ATOM 574 C GLN A 36 11.938 1.399 2.251 1.00 0.00 C ATOM 575 O GLN A 36 11.323 1.734 1.269 1.00 0.00 O ATOM 576 CB GLN A 36 12.038 3.099 4.059 1.00 0.00 C ATOM 577 CG GLN A 36 11.349 4.234 3.294 1.00 0.00 C ATOM 578 CD GLN A 36 9.830 4.094 3.384 1.00 0.00 C ATOM 579 OE1 GLN A 36 9.298 3.734 4.416 1.00 0.00 O ATOM 580 NE2 GLN A 36 9.105 4.373 2.338 1.00 0.00 N ATOM 0 H GLN A 36 12.373 1.119 5.429 1.00 0.00 H new ATOM 0 HA GLN A 36 10.357 1.828 3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 36 11.914 3.243 5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.109 3.109 3.857 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.657 5.196 3.704 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.660 4.218 2.250 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.553 4.675 1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.089 4.289 2.384 1.00 0.00 H new ATOM 589 N GLU A 37 13.030 0.698 2.170 1.00 0.00 N ATOM 590 CA GLU A 37 13.557 0.295 0.836 1.00 0.00 C ATOM 591 C GLU A 37 12.692 -0.844 0.291 1.00 0.00 C ATOM 592 O GLU A 37 12.424 -0.922 -0.891 1.00 0.00 O ATOM 593 CB GLU A 37 15.016 -0.169 0.977 1.00 0.00 C ATOM 594 CG GLU A 37 15.885 0.514 -0.083 1.00 0.00 C ATOM 595 CD GLU A 37 16.086 1.985 0.290 1.00 0.00 C ATOM 596 OE1 GLU A 37 15.988 2.298 1.465 1.00 0.00 O ATOM 597 OE2 GLU A 37 16.336 2.774 -0.606 1.00 0.00 O ATOM 0 H GLU A 37 13.582 0.385 2.968 1.00 0.00 H new ATOM 0 HA GLU A 37 13.524 1.140 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.388 0.070 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.075 -1.252 0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.850 0.012 -0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.411 0.438 -1.061 1.00 0.00 H new ATOM 604 N ASP A 38 12.241 -1.720 1.145 1.00 0.00 N ATOM 605 CA ASP A 38 11.380 -2.838 0.674 1.00 0.00 C ATOM 606 C ASP A 38 9.994 -2.287 0.337 1.00 0.00 C ATOM 607 O ASP A 38 9.369 -2.694 -0.617 1.00 0.00 O ATOM 608 CB ASP A 38 11.259 -3.893 1.776 1.00 0.00 C ATOM 609 CG ASP A 38 12.645 -4.451 2.105 1.00 0.00 C ATOM 610 OD1 ASP A 38 13.613 -3.929 1.574 1.00 0.00 O ATOM 611 OD2 ASP A 38 12.716 -5.389 2.880 1.00 0.00 O ATOM 0 H ASP A 38 12.432 -1.709 2.147 1.00 0.00 H new ATOM 0 HA ASP A 38 11.821 -3.296 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.812 -3.453 2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.599 -4.698 1.452 1.00 0.00 H new ATOM 616 N ILE A 39 9.516 -1.357 1.118 1.00 0.00 N ATOM 617 CA ILE A 39 8.171 -0.761 0.861 1.00 0.00 C ATOM 618 C ILE A 39 8.216 0.063 -0.425 1.00 0.00 C ATOM 619 O ILE A 39 7.343 -0.011 -1.260 1.00 0.00 O ATOM 620 CB ILE A 39 7.807 0.169 2.025 1.00 0.00 C ATOM 621 CG1 ILE A 39 7.976 -0.570 3.346 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.351 0.627 1.909 1.00 0.00 C ATOM 623 CD1 ILE A 39 8.086 0.442 4.500 1.00 0.00 C ATOM 0 H ILE A 39 10.003 -0.980 1.931 1.00 0.00 H new ATOM 0 HA ILE A 39 7.432 -1.557 0.766 1.00 0.00 H new ATOM 0 HB ILE A 39 8.467 1.036 1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.128 -1.234 3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.868 -1.195 3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.109 1.286 2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.212 1.163 0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.693 -0.242 1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.207 -0.092 5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.948 1.088 4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.181 1.048 4.540 1.00 0.00 H new ATOM 635 N VAL A 40 9.227 0.865 -0.562 1.00 0.00 N ATOM 636 CA VAL A 40 9.357 1.723 -1.763 1.00 0.00 C ATOM 637 C VAL A 40 9.805 0.903 -2.954 1.00 0.00 C ATOM 638 O VAL A 40 9.336 1.106 -4.050 1.00 0.00 O ATOM 639 CB VAL A 40 10.350 2.811 -1.469 1.00 0.00 C ATOM 640 CG1 VAL A 40 9.813 3.605 -0.291 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.698 2.198 -1.140 1.00 0.00 C ATOM 0 H VAL A 40 9.981 0.964 0.118 1.00 0.00 H new ATOM 0 HA VAL A 40 8.390 2.164 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 40 10.486 3.465 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.509 4.408 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.844 4.031 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.700 2.947 0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.416 2.990 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.601 1.552 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.047 1.610 -1.989 1.00 0.00 H new ATOM 651 N LYS A 41 10.676 -0.046 -2.777 1.00 0.00 N ATOM 652 CA LYS A 41 11.057 -0.850 -3.958 1.00 0.00 C ATOM 653 C LYS A 41 9.767 -1.462 -4.475 1.00 0.00 C ATOM 654 O LYS A 41 9.383 -1.278 -5.610 1.00 0.00 O ATOM 655 CB LYS A 41 12.021 -1.965 -3.544 1.00 0.00 C ATOM 656 CG LYS A 41 12.431 -2.768 -4.781 1.00 0.00 C ATOM 657 CD LYS A 41 13.406 -3.875 -4.372 1.00 0.00 C ATOM 658 CE LYS A 41 13.571 -4.866 -5.526 1.00 0.00 C ATOM 659 NZ LYS A 41 12.405 -5.798 -5.550 1.00 0.00 N ATOM 0 H LYS A 41 11.126 -0.292 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 41 11.552 -0.241 -4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.903 -1.539 -3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.545 -2.619 -2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.550 -3.201 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.897 -2.111 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.372 -3.444 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.035 -4.391 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.642 -4.330 -6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.497 -5.428 -5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.600 -6.581 -6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.244 -6.178 -4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.557 -5.285 -5.866 1.00 0.00 H new ATOM 673 N PHE A 42 9.095 -2.188 -3.625 1.00 0.00 N ATOM 674 CA PHE A 42 7.822 -2.838 -4.012 1.00 0.00 C ATOM 675 C PHE A 42 6.773 -1.792 -4.435 1.00 0.00 C ATOM 676 O PHE A 42 6.182 -1.903 -5.491 1.00 0.00 O ATOM 677 CB PHE A 42 7.295 -3.638 -2.816 1.00 0.00 C ATOM 678 CG PHE A 42 5.815 -3.424 -2.707 1.00 0.00 C ATOM 679 CD1 PHE A 42 4.967 -4.007 -3.648 1.00 0.00 C ATOM 680 CD2 PHE A 42 5.293 -2.618 -1.691 1.00 0.00 C ATOM 681 CE1 PHE A 42 3.595 -3.790 -3.573 1.00 0.00 C ATOM 682 CE2 PHE A 42 3.917 -2.402 -1.614 1.00 0.00 C ATOM 683 CZ PHE A 42 3.069 -2.986 -2.557 1.00 0.00 C ATOM 0 H PHE A 42 9.384 -2.358 -2.662 1.00 0.00 H new ATOM 0 HA PHE A 42 8.005 -3.497 -4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 42 7.515 -4.698 -2.944 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.791 -3.318 -1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.375 -4.626 -4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.954 -2.164 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.936 -4.242 -4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.509 -1.785 -0.827 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.004 -2.816 -2.502 1.00 0.00 H new ATOM 693 N PHE A 43 6.526 -0.777 -3.637 1.00 0.00 N ATOM 694 CA PHE A 43 5.507 0.239 -4.043 1.00 0.00 C ATOM 695 C PHE A 43 5.944 0.845 -5.368 1.00 0.00 C ATOM 696 O PHE A 43 5.202 0.890 -6.329 1.00 0.00 O ATOM 697 CB PHE A 43 5.458 1.313 -2.971 1.00 0.00 C ATOM 698 CG PHE A 43 4.596 2.472 -3.412 1.00 0.00 C ATOM 699 CD1 PHE A 43 5.058 3.378 -4.370 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.346 2.665 -2.823 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.266 4.468 -4.731 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.562 3.756 -3.188 1.00 0.00 C ATOM 703 CZ PHE A 43 3.022 4.658 -4.139 1.00 0.00 C ATOM 0 H PHE A 43 6.979 -0.612 -2.738 1.00 0.00 H new ATOM 0 HA PHE A 43 4.520 -0.210 -4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.064 0.892 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.467 1.665 -2.756 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.025 3.235 -4.829 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.986 1.966 -2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.620 5.168 -5.474 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.594 3.901 -2.731 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.414 5.506 -4.418 1.00 0.00 H new ATOM 713 N GLU A 44 7.170 1.268 -5.424 1.00 0.00 N ATOM 714 CA GLU A 44 7.689 1.825 -6.699 1.00 0.00 C ATOM 715 C GLU A 44 7.484 0.747 -7.770 1.00 0.00 C ATOM 716 O GLU A 44 7.267 1.029 -8.932 1.00 0.00 O ATOM 717 CB GLU A 44 9.179 2.156 -6.564 1.00 0.00 C ATOM 718 CG GLU A 44 9.373 3.264 -5.519 1.00 0.00 C ATOM 719 CD GLU A 44 9.269 4.633 -6.195 1.00 0.00 C ATOM 720 OE1 GLU A 44 8.601 4.721 -7.212 1.00 0.00 O ATOM 721 OE2 GLU A 44 9.860 5.570 -5.685 1.00 0.00 O ATOM 0 H GLU A 44 7.833 1.253 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 44 7.167 2.745 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.734 1.265 -6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.578 2.477 -7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.619 3.176 -4.737 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.345 3.158 -5.038 1.00 0.00 H new ATOM 728 N GLU A 45 7.543 -0.495 -7.362 1.00 0.00 N ATOM 729 CA GLU A 45 7.343 -1.631 -8.302 1.00 0.00 C ATOM 730 C GLU A 45 5.855 -1.831 -8.596 1.00 0.00 C ATOM 731 O GLU A 45 5.472 -2.202 -9.690 1.00 0.00 O ATOM 732 CB GLU A 45 7.861 -2.910 -7.645 1.00 0.00 C ATOM 733 CG GLU A 45 8.449 -3.830 -8.708 1.00 0.00 C ATOM 734 CD GLU A 45 7.386 -4.144 -9.763 1.00 0.00 C ATOM 735 OE1 GLU A 45 6.400 -4.769 -9.412 1.00 0.00 O ATOM 736 OE2 GLU A 45 7.577 -3.752 -10.901 1.00 0.00 O ATOM 0 H GLU A 45 7.725 -0.771 -6.397 1.00 0.00 H new ATOM 0 HA GLU A 45 7.875 -1.414 -9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.619 -2.667 -6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.050 -3.415 -7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.311 -3.356 -9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.803 -4.753 -8.249 1.00 0.00 H new ATOM 743 N ILE A 46 5.017 -1.631 -7.615 1.00 0.00 N ATOM 744 CA ILE A 46 3.560 -1.857 -7.822 1.00 0.00 C ATOM 745 C ILE A 46 2.878 -0.567 -8.280 1.00 0.00 C ATOM 746 O ILE A 46 1.941 -0.602 -9.053 1.00 0.00 O ATOM 747 CB ILE A 46 2.945 -2.378 -6.512 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.995 -3.543 -6.820 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.167 -1.280 -5.803 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.797 -4.805 -7.166 1.00 0.00 C ATOM 0 H ILE A 46 5.280 -1.321 -6.679 1.00 0.00 H new ATOM 0 HA ILE A 46 3.410 -2.600 -8.605 1.00 0.00 H new ATOM 0 HB ILE A 46 3.754 -2.712 -5.863 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.354 -3.736 -5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.342 -3.279 -7.652 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.742 -1.673 -4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.836 -0.452 -5.570 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.364 -0.927 -6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.111 -5.624 -7.382 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.419 -4.612 -8.040 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.431 -5.076 -6.322 1.00 0.00 H new ATOM 762 N ASP A 47 3.354 0.572 -7.859 1.00 0.00 N ATOM 763 CA ASP A 47 2.731 1.831 -8.343 1.00 0.00 C ATOM 764 C ASP A 47 3.040 1.900 -9.832 1.00 0.00 C ATOM 765 O ASP A 47 3.960 2.569 -10.259 1.00 0.00 O ATOM 766 CB ASP A 47 3.354 3.032 -7.619 1.00 0.00 C ATOM 767 CG ASP A 47 4.845 3.098 -7.926 1.00 0.00 C ATOM 768 OD1 ASP A 47 5.370 2.114 -8.415 1.00 0.00 O ATOM 769 OD2 ASP A 47 5.438 4.134 -7.671 1.00 0.00 O ATOM 0 H ASP A 47 4.134 0.684 -7.212 1.00 0.00 H new ATOM 0 HA ASP A 47 1.658 1.851 -8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.866 3.954 -7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.198 2.942 -6.544 1.00 0.00 H new ATOM 774 N VAL A 48 2.317 1.164 -10.630 1.00 0.00 N ATOM 775 CA VAL A 48 2.591 1.110 -12.101 1.00 0.00 C ATOM 776 C VAL A 48 2.056 2.312 -12.856 1.00 0.00 C ATOM 777 O VAL A 48 2.514 2.634 -13.935 1.00 0.00 O ATOM 778 CB VAL A 48 1.834 -0.091 -12.651 1.00 0.00 C ATOM 779 CG1 VAL A 48 0.337 0.066 -12.341 1.00 0.00 C ATOM 780 CG2 VAL A 48 2.016 -0.156 -14.168 1.00 0.00 C ATOM 0 H VAL A 48 1.534 0.587 -10.323 1.00 0.00 H new ATOM 0 HA VAL A 48 3.673 1.069 -12.230 1.00 0.00 H new ATOM 0 HB VAL A 48 2.218 -1.001 -12.191 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.208 -0.793 -12.734 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.193 0.125 -11.262 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.037 0.977 -12.807 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.474 -1.016 -14.563 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.628 0.757 -14.620 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.076 -0.255 -14.403 1.00 0.00 H new ATOM 790 N ASP A 49 1.055 2.932 -12.349 1.00 0.00 N ATOM 791 CA ASP A 49 0.450 4.057 -13.094 1.00 0.00 C ATOM 792 C ASP A 49 1.351 5.270 -12.957 1.00 0.00 C ATOM 793 O ASP A 49 1.258 6.223 -13.705 1.00 0.00 O ATOM 794 CB ASP A 49 -0.958 4.298 -12.548 1.00 0.00 C ATOM 795 CG ASP A 49 -1.159 5.767 -12.166 1.00 0.00 C ATOM 796 OD1 ASP A 49 -0.910 6.619 -13.004 1.00 0.00 O ATOM 797 OD2 ASP A 49 -1.565 6.012 -11.044 1.00 0.00 O ATOM 0 H ASP A 49 0.623 2.715 -11.451 1.00 0.00 H new ATOM 0 HA ASP A 49 0.358 3.837 -14.158 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.696 4.010 -13.297 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.126 3.666 -11.676 1.00 0.00 H new ATOM 802 N GLY A 50 2.263 5.216 -12.039 1.00 0.00 N ATOM 803 CA GLY A 50 3.221 6.323 -11.868 1.00 0.00 C ATOM 804 C GLY A 50 2.557 7.558 -11.265 1.00 0.00 C ATOM 805 O GLY A 50 3.163 8.608 -11.178 1.00 0.00 O ATOM 0 H GLY A 50 2.385 4.438 -11.391 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.039 6.000 -11.225 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.657 6.579 -12.834 1.00 0.00 H new ATOM 809 N ASN A 51 1.340 7.456 -10.816 1.00 0.00 N ATOM 810 CA ASN A 51 0.702 8.644 -10.194 1.00 0.00 C ATOM 811 C ASN A 51 1.270 8.765 -8.788 1.00 0.00 C ATOM 812 O ASN A 51 0.959 9.675 -8.046 1.00 0.00 O ATOM 813 CB ASN A 51 -0.816 8.456 -10.125 1.00 0.00 C ATOM 814 CG ASN A 51 -1.459 9.719 -9.548 1.00 0.00 C ATOM 815 OD1 ASN A 51 -0.964 10.811 -9.746 1.00 0.00 O ATOM 816 ND2 ASN A 51 -2.548 9.615 -8.838 1.00 0.00 N ATOM 0 H ASN A 51 0.766 6.613 -10.852 1.00 0.00 H new ATOM 0 HA ASN A 51 0.902 9.541 -10.780 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.214 8.254 -11.119 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.059 7.594 -9.503 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.985 10.451 -8.449 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.963 8.698 -8.672 1.00 0.00 H new ATOM 823 N GLY A 52 2.108 7.832 -8.429 1.00 0.00 N ATOM 824 CA GLY A 52 2.722 7.853 -7.079 1.00 0.00 C ATOM 825 C GLY A 52 1.749 7.260 -6.071 1.00 0.00 C ATOM 826 O GLY A 52 1.777 7.588 -4.902 1.00 0.00 O ATOM 0 H GLY A 52 2.394 7.051 -9.020 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.652 7.284 -7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.975 8.875 -6.799 1.00 0.00 H new ATOM 830 N GLU A 53 0.856 6.416 -6.518 1.00 0.00 N ATOM 831 CA GLU A 53 -0.148 5.842 -5.580 1.00 0.00 C ATOM 832 C GLU A 53 -0.519 4.413 -5.969 1.00 0.00 C ATOM 833 O GLU A 53 -0.414 4.013 -7.111 1.00 0.00 O ATOM 834 CB GLU A 53 -1.411 6.726 -5.614 1.00 0.00 C ATOM 835 CG GLU A 53 -1.070 8.113 -6.179 1.00 0.00 C ATOM 836 CD GLU A 53 -0.358 8.945 -5.112 1.00 0.00 C ATOM 837 OE1 GLU A 53 -0.815 8.938 -3.982 1.00 0.00 O ATOM 838 OE2 GLU A 53 0.630 9.578 -5.445 1.00 0.00 O ATOM 0 H GLU A 53 0.780 6.102 -7.486 1.00 0.00 H new ATOM 0 HA GLU A 53 0.281 5.817 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.178 6.254 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.822 6.825 -4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.434 8.011 -7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.980 8.619 -6.500 1.00 0.00 H new ATOM 845 N LEU A 54 -0.973 3.643 -5.008 1.00 0.00 N ATOM 846 CA LEU A 54 -1.373 2.252 -5.296 1.00 0.00 C ATOM 847 C LEU A 54 -2.753 2.244 -5.919 1.00 0.00 C ATOM 848 O LEU A 54 -3.723 2.651 -5.321 1.00 0.00 O ATOM 849 CB LEU A 54 -1.473 1.483 -3.993 1.00 0.00 C ATOM 850 CG LEU A 54 -0.116 1.282 -3.333 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.052 1.376 -4.332 1.00 0.00 C ATOM 852 CD2 LEU A 54 0.007 2.325 -2.258 1.00 0.00 C ATOM 0 H LEU A 54 -1.080 3.931 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.638 1.804 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.132 2.017 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.930 0.512 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.058 0.276 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.994 1.225 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.938 0.610 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.052 2.360 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.969 2.218 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.061 3.317 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.797 2.197 -1.533 1.00 0.00 H new ATOM 864 N ASN A 55 -2.841 1.775 -7.113 1.00 0.00 N ATOM 865 CA ASN A 55 -4.169 1.732 -7.793 1.00 0.00 C ATOM 866 C ASN A 55 -4.959 0.530 -7.283 1.00 0.00 C ATOM 867 O ASN A 55 -4.499 -0.224 -6.450 1.00 0.00 O ATOM 868 CB ASN A 55 -4.009 1.622 -9.312 1.00 0.00 C ATOM 869 CG ASN A 55 -2.557 1.310 -9.667 1.00 0.00 C ATOM 870 OD1 ASN A 55 -1.647 1.958 -9.189 1.00 0.00 O ATOM 871 ND2 ASN A 55 -2.302 0.340 -10.495 1.00 0.00 N ATOM 0 H ASN A 55 -2.058 1.416 -7.660 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.700 2.657 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.662 0.839 -9.698 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.315 2.555 -9.786 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.337 0.122 -10.744 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.067 -0.203 -10.895 1.00 0.00 H new ATOM 878 N ALA A 56 -6.156 0.365 -7.773 1.00 0.00 N ATOM 879 CA ALA A 56 -7.022 -0.763 -7.313 1.00 0.00 C ATOM 880 C ALA A 56 -6.421 -2.133 -7.692 1.00 0.00 C ATOM 881 O ALA A 56 -6.155 -2.956 -6.830 1.00 0.00 O ATOM 882 CB ALA A 56 -8.413 -0.570 -7.924 1.00 0.00 C ATOM 0 H ALA A 56 -6.578 0.968 -8.479 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.091 -0.755 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.067 -1.381 -7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.827 0.382 -7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.336 -0.573 -9.011 1.00 0.00 H new ATOM 888 N ASP A 57 -6.211 -2.423 -8.944 1.00 0.00 N ATOM 889 CA ASP A 57 -5.645 -3.763 -9.290 1.00 0.00 C ATOM 890 C ASP A 57 -4.286 -3.949 -8.599 1.00 0.00 C ATOM 891 O ASP A 57 -3.992 -4.994 -8.032 1.00 0.00 O ATOM 892 CB ASP A 57 -5.465 -3.860 -10.809 1.00 0.00 C ATOM 893 CG ASP A 57 -5.392 -5.333 -11.223 1.00 0.00 C ATOM 894 OD1 ASP A 57 -6.204 -6.104 -10.741 1.00 0.00 O ATOM 895 OD2 ASP A 57 -4.524 -5.662 -12.016 1.00 0.00 O ATOM 0 H ASP A 57 -6.401 -1.805 -9.733 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.328 -4.542 -8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.296 -3.370 -11.316 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.556 -3.341 -11.112 1.00 0.00 H new ATOM 900 N GLU A 58 -3.462 -2.942 -8.628 1.00 0.00 N ATOM 901 CA GLU A 58 -2.136 -3.056 -7.969 1.00 0.00 C ATOM 902 C GLU A 58 -2.363 -3.135 -6.466 1.00 0.00 C ATOM 903 O GLU A 58 -1.605 -3.743 -5.738 1.00 0.00 O ATOM 904 CB GLU A 58 -1.266 -1.841 -8.309 1.00 0.00 C ATOM 905 CG GLU A 58 -0.802 -1.910 -9.769 1.00 0.00 C ATOM 906 CD GLU A 58 0.053 -3.160 -9.999 1.00 0.00 C ATOM 907 OE1 GLU A 58 -0.519 -4.208 -10.248 1.00 0.00 O ATOM 908 OE2 GLU A 58 1.266 -3.043 -9.933 1.00 0.00 O ATOM 0 H GLU A 58 -3.650 -2.047 -9.079 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.618 -3.949 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.830 -0.923 -8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.401 -1.808 -7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.667 -1.926 -10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.227 -1.018 -10.017 1.00 0.00 H new ATOM 915 N PHE A 59 -3.414 -2.522 -6.001 1.00 0.00 N ATOM 916 CA PHE A 59 -3.719 -2.549 -4.548 1.00 0.00 C ATOM 917 C PHE A 59 -3.789 -3.999 -4.073 1.00 0.00 C ATOM 918 O PHE A 59 -3.240 -4.365 -3.054 1.00 0.00 O ATOM 919 CB PHE A 59 -5.107 -1.961 -4.328 1.00 0.00 C ATOM 920 CG PHE A 59 -5.035 -0.582 -3.774 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.273 -0.316 -2.641 1.00 0.00 C ATOM 922 CD2 PHE A 59 -5.741 0.436 -4.399 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.225 0.975 -2.146 1.00 0.00 C ATOM 924 CE2 PHE A 59 -5.689 1.712 -3.912 1.00 0.00 C ATOM 925 CZ PHE A 59 -4.937 1.994 -2.792 1.00 0.00 C ATOM 0 H PHE A 59 -4.079 -2.000 -6.571 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.950 -1.991 -4.013 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.651 -1.947 -5.273 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.669 -2.599 -3.646 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.725 -1.109 -2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.335 0.219 -5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.641 1.196 -1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.238 2.500 -4.406 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.896 3.004 -2.411 1.00 0.00 H new ATOM 935 N THR A 60 -4.475 -4.830 -4.807 1.00 0.00 N ATOM 936 CA THR A 60 -4.585 -6.251 -4.389 1.00 0.00 C ATOM 937 C THR A 60 -3.217 -6.892 -4.506 1.00 0.00 C ATOM 938 O THR A 60 -2.761 -7.566 -3.611 1.00 0.00 O ATOM 939 CB THR A 60 -5.589 -6.970 -5.283 1.00 0.00 C ATOM 940 OG1 THR A 60 -5.061 -7.078 -6.598 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.884 -6.165 -5.312 1.00 0.00 C ATOM 0 H THR A 60 -4.960 -4.588 -5.671 1.00 0.00 H new ATOM 0 HA THR A 60 -4.932 -6.319 -3.358 1.00 0.00 H new ATOM 0 HB THR A 60 -5.785 -7.970 -4.896 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.785 -6.192 -6.914 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.611 -6.669 -5.949 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.283 -6.081 -4.301 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.684 -5.169 -5.707 1.00 0.00 H new ATOM 949 N SER A 61 -2.543 -6.658 -5.592 1.00 0.00 N ATOM 950 CA SER A 61 -1.180 -7.231 -5.743 1.00 0.00 C ATOM 951 C SER A 61 -0.258 -6.526 -4.744 1.00 0.00 C ATOM 952 O SER A 61 0.787 -7.043 -4.342 1.00 0.00 O ATOM 953 CB SER A 61 -0.674 -6.977 -7.164 1.00 0.00 C ATOM 954 OG SER A 61 0.355 -7.910 -7.467 1.00 0.00 O ATOM 0 H SER A 61 -2.873 -6.098 -6.378 1.00 0.00 H new ATOM 0 HA SER A 61 -1.197 -8.305 -5.557 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.492 -7.075 -7.877 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.295 -5.959 -7.252 1.00 0.00 H new ATOM 0 HG SER A 61 0.682 -7.752 -8.377 1.00 0.00 H new ATOM 960 N CYS A 62 -0.685 -5.385 -4.265 1.00 0.00 N ATOM 961 CA CYS A 62 0.127 -4.660 -3.257 1.00 0.00 C ATOM 962 C CYS A 62 0.034 -5.439 -1.966 1.00 0.00 C ATOM 963 O CYS A 62 0.972 -5.521 -1.197 1.00 0.00 O ATOM 964 CB CYS A 62 -0.425 -3.237 -3.088 1.00 0.00 C ATOM 965 SG CYS A 62 -0.234 -2.673 -1.378 1.00 0.00 S ATOM 0 H CYS A 62 -1.558 -4.930 -4.531 1.00 0.00 H new ATOM 0 HA CYS A 62 1.170 -4.576 -3.564 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.098 -2.557 -3.761 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.478 -3.215 -3.368 1.00 0.00 H new ATOM 0 HG CYS A 62 0.950 -2.991 -0.946 1.00 0.00 H new ATOM 971 N ILE A 63 -1.088 -6.046 -1.745 1.00 0.00 N ATOM 972 CA ILE A 63 -1.248 -6.863 -0.530 1.00 0.00 C ATOM 973 C ILE A 63 -0.794 -8.272 -0.851 1.00 0.00 C ATOM 974 O ILE A 63 -0.216 -8.934 -0.013 1.00 0.00 O ATOM 975 CB ILE A 63 -2.707 -6.842 -0.078 1.00 0.00 C ATOM 976 CG1 ILE A 63 -3.154 -5.385 0.088 1.00 0.00 C ATOM 977 CG2 ILE A 63 -2.845 -7.572 1.261 1.00 0.00 C ATOM 978 CD1 ILE A 63 -2.077 -4.598 0.832 1.00 0.00 C ATOM 0 H ILE A 63 -1.903 -6.010 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.646 -6.464 0.286 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.328 -7.340 -0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.336 -4.937 -0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.094 -5.343 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.887 -7.554 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.518 -8.605 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.228 -7.076 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.398 -3.563 0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.917 -5.041 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.147 -4.628 0.264 1.00 0.00 H new ATOM 990 N GLU A 64 -1.003 -8.757 -2.054 1.00 0.00 N ATOM 991 CA GLU A 64 -0.528 -10.119 -2.370 1.00 0.00 C ATOM 992 C GLU A 64 0.924 -10.222 -1.960 1.00 0.00 C ATOM 993 O GLU A 64 1.400 -11.290 -1.626 1.00 0.00 O ATOM 994 CB GLU A 64 -0.652 -10.372 -3.871 1.00 0.00 C ATOM 995 CG GLU A 64 -0.379 -11.847 -4.172 1.00 0.00 C ATOM 996 CD GLU A 64 1.121 -12.126 -4.067 1.00 0.00 C ATOM 997 OE1 GLU A 64 1.887 -11.365 -4.634 1.00 0.00 O ATOM 998 OE2 GLU A 64 1.479 -13.098 -3.422 1.00 0.00 O ATOM 0 H GLU A 64 -1.476 -8.267 -2.813 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.126 -10.858 -1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.650 -10.100 -4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.054 -9.744 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.926 -12.478 -3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.736 -12.096 -5.171 1.00 0.00 H new ATOM 1005 N LYS A 65 1.646 -9.123 -1.925 1.00 0.00 N ATOM 1006 CA LYS A 65 3.058 -9.237 -1.461 1.00 0.00 C ATOM 1007 C LYS A 65 3.036 -9.988 -0.122 1.00 0.00 C ATOM 1008 O LYS A 65 4.043 -10.445 0.383 1.00 0.00 O ATOM 1009 CB LYS A 65 3.652 -7.842 -1.273 1.00 0.00 C ATOM 1010 CG LYS A 65 5.172 -7.920 -1.414 1.00 0.00 C ATOM 1011 CD LYS A 65 5.749 -6.505 -1.502 1.00 0.00 C ATOM 1012 CE LYS A 65 7.187 -6.495 -0.963 1.00 0.00 C ATOM 1013 NZ LYS A 65 7.215 -7.104 0.395 1.00 0.00 N ATOM 0 H LYS A 65 1.330 -8.189 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 65 3.668 -9.770 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.241 -7.156 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.385 -7.449 -0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.601 -8.447 -0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.437 -8.488 -2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.736 -6.161 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.131 -5.814 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.842 -7.050 -1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.564 -5.473 -0.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.003 -6.700 0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.318 -6.906 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.343 -8.133 0.312 1.00 0.00 H new ATOM 1027 N MET A 66 1.857 -10.130 0.419 1.00 0.00 N ATOM 1028 CA MET A 66 1.632 -10.851 1.682 1.00 0.00 C ATOM 1029 C MET A 66 0.161 -11.256 1.648 1.00 0.00 C ATOM 1030 O MET A 66 -0.501 -11.101 0.642 1.00 0.00 O ATOM 1031 CB MET A 66 1.901 -9.921 2.876 1.00 0.00 C ATOM 1032 CG MET A 66 3.270 -10.237 3.484 1.00 0.00 C ATOM 1033 SD MET A 66 3.162 -11.767 4.447 1.00 0.00 S ATOM 1034 CE MET A 66 4.169 -11.230 5.853 1.00 0.00 C ATOM 0 H MET A 66 1.005 -9.752 0.006 1.00 0.00 H new ATOM 0 HA MET A 66 2.292 -11.712 1.790 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.868 -8.881 2.552 1.00 0.00 H new ATOM 0 HB3 MET A 66 1.122 -10.046 3.628 1.00 0.00 H new ATOM 0 HG2 MET A 66 4.015 -10.343 2.695 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.595 -9.415 4.122 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.235 -12.037 6.583 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.170 -10.971 5.506 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.709 -10.358 6.318 1.00 0.00 H new ATOM 1044 N LEU A 67 -0.363 -11.769 2.704 1.00 0.00 N ATOM 1045 CA LEU A 67 -1.799 -12.176 2.692 1.00 0.00 C ATOM 1046 C LEU A 67 -2.042 -13.146 1.533 1.00 0.00 C ATOM 1047 CB LEU A 67 -2.681 -10.931 2.522 1.00 0.00 C ATOM 1048 CG LEU A 67 -4.062 -11.168 3.153 1.00 0.00 C ATOM 1049 CD1 LEU A 67 -4.674 -12.450 2.584 1.00 0.00 C ATOM 1050 CD2 LEU A 67 -3.931 -11.294 4.680 1.00 0.00 C ATOM 0 H LEU A 67 0.130 -11.930 3.583 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.049 -12.668 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.202 -10.071 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.792 -10.697 1.463 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.708 -10.321 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.653 -12.616 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.782 -12.353 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.023 -13.295 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.915 -11.462 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.279 -12.134 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.506 -10.376 5.086 1.00 0.00 H new TER 1062 LEU A 67