USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 588 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0209 USER MOD Single : A 5 SER OG : rot 69:sc= -0.616 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.83 K(o=0.83,f=-3.8!) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.586 USER MOD Single : A 29 ASN : amide:sc= -2.2 K(o=-2.2,f=-9.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= -0.0462 (180deg=-0.0462) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 72:sc= 1.21 USER MOD Single : A 44 THR OG1 : rot -81:sc= -1.16! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0773 X(o=-0.077,f=0) USER MOD Single : A 52 THR OG1 : rot 87:sc= 0.52 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0973 K(o=-0.097,f=-0.87) USER MOD Single : A 61 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.168) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= -0.179 (180deg=-0.819) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.136 7.844 -1.668 1.00 0.00 N ATOM 2 CA GLY A 1 -21.445 8.132 -0.425 1.00 0.00 C ATOM 3 C GLY A 1 -19.972 7.781 -0.485 1.00 0.00 C ATOM 4 O GLY A 1 -19.557 6.729 0.003 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.139 8.102 -1.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.707 8.394 -2.439 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.057 6.829 -1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.554 9.191 -0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.915 7.575 0.386 1.00 0.00 H new ATOM 8 N SER A 2 -19.179 8.663 -1.085 1.00 0.00 N ATOM 9 CA SER A 2 -17.744 8.438 -1.212 1.00 0.00 C ATOM 10 C SER A 2 -17.034 8.700 0.112 1.00 0.00 C ATOM 11 O SER A 2 -16.559 9.806 0.367 1.00 0.00 O ATOM 12 CB SER A 2 -17.160 9.338 -2.303 1.00 0.00 C ATOM 13 OG SER A 2 -17.581 8.919 -3.590 1.00 0.00 O ATOM 0 H SER A 2 -19.506 9.540 -1.491 1.00 0.00 H new ATOM 0 HA SER A 2 -17.588 7.395 -1.488 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.471 10.369 -2.133 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.071 9.320 -2.249 1.00 0.00 H new ATOM 0 HG SER A 2 -17.196 9.511 -4.269 1.00 0.00 H new ATOM 19 N SER A 3 -16.966 7.672 0.953 1.00 0.00 N ATOM 20 CA SER A 3 -16.318 7.790 2.254 1.00 0.00 C ATOM 21 C SER A 3 -17.045 8.802 3.133 1.00 0.00 C ATOM 22 O SER A 3 -16.447 9.421 4.012 1.00 0.00 O ATOM 23 CB SER A 3 -14.855 8.205 2.082 1.00 0.00 C ATOM 24 OG SER A 3 -14.313 7.680 0.883 1.00 0.00 O ATOM 0 H SER A 3 -17.352 6.748 0.756 1.00 0.00 H new ATOM 0 HA SER A 3 -16.358 6.816 2.742 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.781 9.292 2.072 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.272 7.853 2.933 1.00 0.00 H new ATOM 0 HG SER A 3 -13.378 7.961 0.796 1.00 0.00 H new ATOM 30 N GLY A 4 -18.343 8.964 2.890 1.00 0.00 N ATOM 31 CA GLY A 4 -19.132 9.901 3.667 1.00 0.00 C ATOM 32 C GLY A 4 -20.450 9.309 4.125 1.00 0.00 C ATOM 33 O GLY A 4 -21.295 8.950 3.306 1.00 0.00 O ATOM 0 H GLY A 4 -18.861 8.463 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.559 10.220 4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.326 10.792 3.069 1.00 0.00 H new ATOM 37 N SER A 5 -20.625 9.205 5.439 1.00 0.00 N ATOM 38 CA SER A 5 -21.847 8.646 6.005 1.00 0.00 C ATOM 39 C SER A 5 -22.015 9.070 7.461 1.00 0.00 C ATOM 40 O SER A 5 -21.049 9.448 8.124 1.00 0.00 O ATOM 41 CB SER A 5 -21.830 7.120 5.905 1.00 0.00 C ATOM 42 OG SER A 5 -22.576 6.531 6.957 1.00 0.00 O ATOM 0 H SER A 5 -19.936 9.500 6.131 1.00 0.00 H new ATOM 0 HA SER A 5 -22.691 9.030 5.433 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.243 6.811 4.945 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.801 6.762 5.940 1.00 0.00 H new ATOM 0 HG SER A 5 -23.529 6.722 6.829 1.00 0.00 H new ATOM 48 N SER A 6 -23.249 9.005 7.952 1.00 0.00 N ATOM 49 CA SER A 6 -23.545 9.386 9.328 1.00 0.00 C ATOM 50 C SER A 6 -24.369 8.307 10.024 1.00 0.00 C ATOM 51 O SER A 6 -25.349 7.807 9.474 1.00 0.00 O ATOM 52 CB SER A 6 -24.296 10.718 9.360 1.00 0.00 C ATOM 53 OG SER A 6 -25.306 10.758 8.367 1.00 0.00 O ATOM 0 H SER A 6 -24.059 8.692 7.417 1.00 0.00 H new ATOM 0 HA SER A 6 -22.600 9.497 9.860 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.743 10.864 10.344 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.595 11.538 9.204 1.00 0.00 H new ATOM 0 HG SER A 6 -25.772 11.619 8.409 1.00 0.00 H new ATOM 59 N GLY A 7 -23.963 7.953 11.240 1.00 0.00 N ATOM 60 CA GLY A 7 -24.674 6.936 11.993 1.00 0.00 C ATOM 61 C GLY A 7 -24.071 5.557 11.815 1.00 0.00 C ATOM 62 O GLY A 7 -23.978 4.785 12.770 1.00 0.00 O ATOM 0 H GLY A 7 -23.155 8.352 11.717 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.666 7.199 13.051 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.717 6.917 11.677 1.00 0.00 H new ATOM 66 N ARG A 8 -23.662 5.244 10.590 1.00 0.00 N ATOM 67 CA ARG A 8 -23.068 3.947 10.290 1.00 0.00 C ATOM 68 C ARG A 8 -21.812 3.718 11.126 1.00 0.00 C ATOM 69 O ARG A 8 -21.470 4.528 11.988 1.00 0.00 O ATOM 70 CB ARG A 8 -22.727 3.850 8.802 1.00 0.00 C ATOM 71 CG ARG A 8 -23.945 3.904 7.894 1.00 0.00 C ATOM 72 CD ARG A 8 -23.722 3.111 6.616 1.00 0.00 C ATOM 73 NE ARG A 8 -22.515 3.536 5.912 1.00 0.00 N ATOM 74 CZ ARG A 8 -22.199 3.133 4.686 1.00 0.00 C ATOM 75 NH1 ARG A 8 -22.997 2.301 4.032 1.00 0.00 N ATOM 76 NH2 ARG A 8 -21.083 3.564 4.112 1.00 0.00 N ATOM 0 H ARG A 8 -23.731 5.871 9.789 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.796 3.176 10.540 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -22.052 4.664 8.539 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -22.190 2.919 8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.812 3.508 8.423 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.169 4.941 7.645 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -23.647 2.050 6.856 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -24.585 3.230 5.961 1.00 0.00 H new ATOM 0 HE ARG A 8 -21.880 4.177 6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -23.856 1.968 4.470 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -22.752 1.993 3.091 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -20.467 4.205 4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.841 3.254 3.171 1.00 0.00 H new ATOM 90 N LYS A 9 -21.128 2.609 10.866 1.00 0.00 N ATOM 91 CA LYS A 9 -19.910 2.272 11.593 1.00 0.00 C ATOM 92 C LYS A 9 -18.679 2.473 10.714 1.00 0.00 C ATOM 93 O LYS A 9 -18.790 2.625 9.497 1.00 0.00 O ATOM 94 CB LYS A 9 -19.968 0.824 12.084 1.00 0.00 C ATOM 95 CG LYS A 9 -20.412 -0.163 11.018 1.00 0.00 C ATOM 96 CD LYS A 9 -21.915 -0.382 11.052 1.00 0.00 C ATOM 97 CE LYS A 9 -22.274 -1.831 10.758 1.00 0.00 C ATOM 98 NZ LYS A 9 -22.062 -2.174 9.324 1.00 0.00 N ATOM 0 H LYS A 9 -21.397 1.928 10.156 1.00 0.00 H new ATOM 0 HA LYS A 9 -19.834 2.938 12.453 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -18.983 0.533 12.449 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -20.652 0.763 12.931 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -20.119 0.206 10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -19.901 -1.114 11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -22.303 -0.102 12.031 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -22.395 0.268 10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -21.669 -2.489 11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -23.316 -2.008 11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -22.318 -3.169 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -22.658 -1.563 8.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -21.062 -2.029 9.077 1.00 0.00 H new ATOM 112 N LYS A 10 -17.506 2.470 11.337 1.00 0.00 N ATOM 113 CA LYS A 10 -16.253 2.649 10.613 1.00 0.00 C ATOM 114 C LYS A 10 -16.010 1.489 9.653 1.00 0.00 C ATOM 115 O LYS A 10 -16.426 0.359 9.911 1.00 0.00 O ATOM 116 CB LYS A 10 -15.085 2.766 11.594 1.00 0.00 C ATOM 117 CG LYS A 10 -13.740 2.964 10.917 1.00 0.00 C ATOM 118 CD LYS A 10 -13.702 4.255 10.117 1.00 0.00 C ATOM 119 CE LYS A 10 -12.433 4.359 9.285 1.00 0.00 C ATOM 120 NZ LYS A 10 -11.239 4.645 10.128 1.00 0.00 N ATOM 0 H LYS A 10 -17.397 2.345 12.343 1.00 0.00 H new ATOM 0 HA LYS A 10 -16.325 3.569 10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.270 3.603 12.268 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.045 1.866 12.207 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.952 2.978 11.670 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.536 2.120 10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.572 4.304 9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.764 5.106 10.795 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.278 3.428 8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.550 5.147 8.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.395 4.708 9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.375 5.546 10.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.112 3.880 10.821 1.00 0.00 H new ATOM 134 N ARG A 11 -15.333 1.775 8.546 1.00 0.00 N ATOM 135 CA ARG A 11 -15.034 0.755 7.548 1.00 0.00 C ATOM 136 C ARG A 11 -13.535 0.688 7.271 1.00 0.00 C ATOM 137 O ARG A 11 -12.734 1.295 7.983 1.00 0.00 O ATOM 138 CB ARG A 11 -15.791 1.044 6.250 1.00 0.00 C ATOM 139 CG ARG A 11 -17.257 1.384 6.463 1.00 0.00 C ATOM 140 CD ARG A 11 -18.105 0.958 5.275 1.00 0.00 C ATOM 141 NE ARG A 11 -17.668 1.592 4.034 1.00 0.00 N ATOM 142 CZ ARG A 11 -18.202 1.329 2.847 1.00 0.00 C ATOM 143 NH1 ARG A 11 -19.189 0.450 2.740 1.00 0.00 N ATOM 144 NH2 ARG A 11 -17.750 1.947 1.763 1.00 0.00 N ATOM 0 H ARG A 11 -14.981 2.705 8.317 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.356 -0.209 7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.306 1.872 5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.720 0.175 5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -17.619 0.891 7.365 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -17.364 2.457 6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -18.056 -0.125 5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.148 1.213 5.464 1.00 0.00 H new ATOM 0 HE ARG A 11 -16.911 2.274 4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.540 -0.026 3.571 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -19.597 0.250 1.827 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.992 2.625 1.841 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -18.161 1.744 0.852 1.00 0.00 H new ATOM 158 N ILE A 12 -13.163 -0.054 6.233 1.00 0.00 N ATOM 159 CA ILE A 12 -11.760 -0.199 5.862 1.00 0.00 C ATOM 160 C ILE A 12 -11.083 1.160 5.732 1.00 0.00 C ATOM 161 O ILE A 12 -11.620 2.096 5.138 1.00 0.00 O ATOM 162 CB ILE A 12 -11.605 -0.967 4.536 1.00 0.00 C ATOM 163 CG1 ILE A 12 -12.283 -2.336 4.632 1.00 0.00 C ATOM 164 CG2 ILE A 12 -10.134 -1.122 4.183 1.00 0.00 C ATOM 165 CD1 ILE A 12 -11.730 -3.208 5.737 1.00 0.00 C ATOM 0 H ILE A 12 -13.813 -0.564 5.634 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.280 -0.766 6.659 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.090 -0.397 3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.351 -2.193 4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.171 -2.855 3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.041 -1.667 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.679 -0.137 4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.626 -1.674 4.974 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.257 -4.162 5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.668 -3.382 5.566 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.866 -2.709 6.697 1.00 0.00 H new ATOM 177 N PRO A 13 -9.872 1.275 6.297 1.00 0.00 N ATOM 178 CA PRO A 13 -9.092 2.515 6.255 1.00 0.00 C ATOM 179 C PRO A 13 -8.373 2.704 4.924 1.00 0.00 C ATOM 180 O PRO A 13 -8.616 1.968 3.966 1.00 0.00 O ATOM 181 CB PRO A 13 -8.080 2.337 7.389 1.00 0.00 C ATOM 182 CG PRO A 13 -7.925 0.862 7.530 1.00 0.00 C ATOM 183 CD PRO A 13 -9.170 0.201 7.020 1.00 0.00 C ATOM 0 HA PRO A 13 -9.724 3.397 6.364 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.129 2.814 7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.439 2.788 8.314 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.056 0.517 6.969 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.756 0.597 8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.937 -0.637 6.363 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.776 -0.193 7.836 1.00 0.00 H new ATOM 191 N TYR A 14 -7.487 3.692 4.870 1.00 0.00 N ATOM 192 CA TYR A 14 -6.734 3.977 3.655 1.00 0.00 C ATOM 193 C TYR A 14 -7.663 4.422 2.529 1.00 0.00 C ATOM 194 O TYR A 14 -8.435 3.625 1.996 1.00 0.00 O ATOM 195 CB TYR A 14 -5.940 2.744 3.219 1.00 0.00 C ATOM 196 CG TYR A 14 -5.164 2.096 4.343 1.00 0.00 C ATOM 197 CD1 TYR A 14 -4.117 2.764 4.966 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.476 0.815 4.781 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.405 2.176 5.993 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.770 0.219 5.808 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.735 0.903 6.411 1.00 0.00 C ATOM 202 OH TYR A 14 -3.028 0.313 7.433 1.00 0.00 O ATOM 0 H TYR A 14 -7.273 4.309 5.654 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.040 4.789 3.872 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.626 2.012 2.793 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.247 3.029 2.428 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.855 3.760 4.642 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.285 0.276 4.310 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.594 2.710 6.466 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.027 -0.777 6.137 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.388 -0.582 7.605 1.00 0.00 H new ATOM 212 N SER A 15 -7.582 5.700 2.173 1.00 0.00 N ATOM 213 CA SER A 15 -8.417 6.252 1.113 1.00 0.00 C ATOM 214 C SER A 15 -7.999 5.706 -0.248 1.00 0.00 C ATOM 215 O SER A 15 -6.941 5.093 -0.387 1.00 0.00 O ATOM 216 CB SER A 15 -8.330 7.780 1.111 1.00 0.00 C ATOM 217 OG SER A 15 -9.258 8.345 2.022 1.00 0.00 O ATOM 0 H SER A 15 -6.947 6.372 2.603 1.00 0.00 H new ATOM 0 HA SER A 15 -9.448 5.953 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.320 8.090 1.377 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.525 8.157 0.107 1.00 0.00 H new ATOM 0 HG SER A 15 -9.181 9.322 2.003 1.00 0.00 H new ATOM 223 N LYS A 16 -8.839 5.933 -1.253 1.00 0.00 N ATOM 224 CA LYS A 16 -8.559 5.465 -2.605 1.00 0.00 C ATOM 225 C LYS A 16 -7.223 6.008 -3.103 1.00 0.00 C ATOM 226 O LYS A 16 -6.598 5.427 -3.989 1.00 0.00 O ATOM 227 CB LYS A 16 -9.680 5.891 -3.556 1.00 0.00 C ATOM 228 CG LYS A 16 -10.984 5.145 -3.332 1.00 0.00 C ATOM 229 CD LYS A 16 -12.185 5.989 -3.725 1.00 0.00 C ATOM 230 CE LYS A 16 -13.493 5.281 -3.407 1.00 0.00 C ATOM 231 NZ LYS A 16 -14.669 6.171 -3.608 1.00 0.00 N ATOM 0 H LYS A 16 -9.720 6.439 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.503 4.377 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.858 6.960 -3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.353 5.733 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.981 4.223 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.066 4.861 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.149 6.942 -3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.141 6.212 -4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.592 4.400 -4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.475 4.931 -2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.541 5.651 -3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.588 7.000 -2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.701 6.485 -4.599 1.00 0.00 H new ATOM 245 N GLY A 17 -6.791 7.124 -2.525 1.00 0.00 N ATOM 246 CA GLY A 17 -5.531 7.725 -2.922 1.00 0.00 C ATOM 247 C GLY A 17 -4.339 7.065 -2.257 1.00 0.00 C ATOM 248 O GLY A 17 -3.286 6.907 -2.873 1.00 0.00 O ATOM 0 H GLY A 17 -7.291 7.623 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.424 7.655 -4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.543 8.785 -2.670 1.00 0.00 H new ATOM 252 N GLN A 18 -4.505 6.681 -0.995 1.00 0.00 N ATOM 253 CA GLN A 18 -3.432 6.037 -0.246 1.00 0.00 C ATOM 254 C GLN A 18 -3.268 4.582 -0.672 1.00 0.00 C ATOM 255 O GLN A 18 -2.155 4.056 -0.704 1.00 0.00 O ATOM 256 CB GLN A 18 -3.714 6.113 1.256 1.00 0.00 C ATOM 257 CG GLN A 18 -3.658 7.525 1.815 1.00 0.00 C ATOM 258 CD GLN A 18 -4.148 7.605 3.248 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.310 7.317 3.536 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.262 7.996 4.156 1.00 0.00 N ATOM 0 H GLN A 18 -5.371 6.804 -0.470 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.504 6.566 -0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.700 5.692 1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.990 5.493 1.785 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.633 7.891 1.765 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.263 8.183 1.191 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.309 8.225 3.873 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.534 8.067 5.136 1.00 0.00 H new ATOM 269 N LEU A 19 -4.382 3.937 -0.998 1.00 0.00 N ATOM 270 CA LEU A 19 -4.362 2.542 -1.423 1.00 0.00 C ATOM 271 C LEU A 19 -3.816 2.412 -2.841 1.00 0.00 C ATOM 272 O LEU A 19 -3.424 1.326 -3.268 1.00 0.00 O ATOM 273 CB LEU A 19 -5.769 1.945 -1.350 1.00 0.00 C ATOM 274 CG LEU A 19 -6.374 1.822 0.049 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.881 1.636 -0.035 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.734 0.667 0.806 1.00 0.00 C ATOM 0 H LEU A 19 -5.311 4.358 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.705 1.993 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.434 2.557 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.745 0.954 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.173 2.744 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.294 1.550 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.326 2.494 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.105 0.730 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.176 0.594 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.905 -0.263 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.662 0.842 0.898 1.00 0.00 H new ATOM 288 N ARG A 20 -3.791 3.526 -3.565 1.00 0.00 N ATOM 289 CA ARG A 20 -3.291 3.537 -4.934 1.00 0.00 C ATOM 290 C ARG A 20 -1.809 3.178 -4.975 1.00 0.00 C ATOM 291 O ARG A 20 -1.354 2.479 -5.880 1.00 0.00 O ATOM 292 CB ARG A 20 -3.512 4.911 -5.569 1.00 0.00 C ATOM 293 CG ARG A 20 -4.844 5.042 -6.290 1.00 0.00 C ATOM 294 CD ARG A 20 -4.714 4.702 -7.766 1.00 0.00 C ATOM 295 NE ARG A 20 -4.493 5.891 -8.585 1.00 0.00 N ATOM 296 CZ ARG A 20 -4.312 5.855 -9.900 1.00 0.00 C ATOM 297 NH1 ARG A 20 -4.326 4.695 -10.543 1.00 0.00 N ATOM 298 NH2 ARG A 20 -4.117 6.980 -10.575 1.00 0.00 N ATOM 0 H ARG A 20 -4.111 4.433 -3.226 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.844 2.789 -5.502 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.452 5.674 -4.793 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.705 5.110 -6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.576 4.381 -5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.219 6.060 -6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.886 4.007 -7.906 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.618 4.194 -8.102 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.477 6.799 -8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.476 3.828 -10.027 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.187 4.670 -11.553 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.106 7.874 -10.084 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.978 6.951 -11.585 1.00 0.00 H new ATOM 312 N GLU A 21 -1.060 3.663 -3.988 1.00 0.00 N ATOM 313 CA GLU A 21 0.371 3.394 -3.913 1.00 0.00 C ATOM 314 C GLU A 21 0.635 2.014 -3.316 1.00 0.00 C ATOM 315 O GLU A 21 1.580 1.327 -3.706 1.00 0.00 O ATOM 316 CB GLU A 21 1.070 4.466 -3.075 1.00 0.00 C ATOM 317 CG GLU A 21 0.832 5.881 -3.575 1.00 0.00 C ATOM 318 CD GLU A 21 -0.228 6.612 -2.775 1.00 0.00 C ATOM 319 OE1 GLU A 21 -1.020 5.939 -2.084 1.00 0.00 O ATOM 320 OE2 GLU A 21 -0.265 7.859 -2.840 1.00 0.00 O ATOM 0 H GLU A 21 -1.421 4.243 -3.231 1.00 0.00 H new ATOM 0 HA GLU A 21 0.772 3.415 -4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.725 4.391 -2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.142 4.268 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.766 6.440 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.532 5.847 -4.622 1.00 0.00 H new ATOM 327 N LEU A 22 -0.206 1.615 -2.369 1.00 0.00 N ATOM 328 CA LEU A 22 -0.065 0.318 -1.717 1.00 0.00 C ATOM 329 C LEU A 22 -0.409 -0.815 -2.678 1.00 0.00 C ATOM 330 O LEU A 22 0.301 -1.817 -2.751 1.00 0.00 O ATOM 331 CB LEU A 22 -0.965 0.245 -0.482 1.00 0.00 C ATOM 332 CG LEU A 22 -0.737 1.322 0.579 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.947 1.436 1.493 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.516 1.017 1.388 1.00 0.00 C ATOM 0 H LEU A 22 -0.993 2.171 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 22 0.974 0.205 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.003 0.300 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.830 -0.731 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.597 2.278 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.766 2.207 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.825 1.701 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.119 0.481 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.663 1.794 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.404 0.052 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.380 0.987 0.724 1.00 0.00 H new ATOM 346 N GLU A 23 -1.502 -0.647 -3.416 1.00 0.00 N ATOM 347 CA GLU A 23 -1.938 -1.655 -4.375 1.00 0.00 C ATOM 348 C GLU A 23 -0.980 -1.731 -5.560 1.00 0.00 C ATOM 349 O GLU A 23 -0.635 -2.818 -6.024 1.00 0.00 O ATOM 350 CB GLU A 23 -3.353 -1.344 -4.868 1.00 0.00 C ATOM 351 CG GLU A 23 -4.406 -1.402 -3.774 1.00 0.00 C ATOM 352 CD GLU A 23 -5.728 -0.798 -4.205 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.728 0.025 -5.144 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.764 -1.150 -3.602 1.00 0.00 O ATOM 0 H GLU A 23 -2.101 0.177 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.941 -2.621 -3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.362 -0.351 -5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.618 -2.051 -5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.563 -2.440 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.039 -0.874 -2.894 1.00 0.00 H new ATOM 361 N ARG A 24 -0.554 -0.569 -6.044 1.00 0.00 N ATOM 362 CA ARG A 24 0.363 -0.502 -7.175 1.00 0.00 C ATOM 363 C ARG A 24 1.665 -1.235 -6.864 1.00 0.00 C ATOM 364 O ARG A 24 2.045 -2.170 -7.567 1.00 0.00 O ATOM 365 CB ARG A 24 0.659 0.955 -7.534 1.00 0.00 C ATOM 366 CG ARG A 24 -0.311 1.542 -8.547 1.00 0.00 C ATOM 367 CD ARG A 24 0.205 2.853 -9.117 1.00 0.00 C ATOM 368 NE ARG A 24 1.280 2.644 -10.084 1.00 0.00 N ATOM 369 CZ ARG A 24 1.987 3.632 -10.622 1.00 0.00 C ATOM 370 NH1 ARG A 24 1.736 4.890 -10.287 1.00 0.00 N ATOM 371 NH2 ARG A 24 2.949 3.361 -11.495 1.00 0.00 N ATOM 0 H ARG A 24 -0.829 0.339 -5.670 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.114 -0.989 -8.026 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.631 1.557 -6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.672 1.024 -7.931 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.469 0.829 -9.356 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.279 1.706 -8.073 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.615 3.388 -9.596 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.566 3.484 -8.305 1.00 0.00 H new ATOM 0 HE ARG A 24 1.500 1.687 -10.361 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.999 5.101 -9.615 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.280 5.646 -10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.146 2.394 -11.753 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.492 4.120 -11.908 1.00 0.00 H new ATOM 385 N GLU A 25 2.343 -0.802 -5.805 1.00 0.00 N ATOM 386 CA GLU A 25 3.602 -1.417 -5.402 1.00 0.00 C ATOM 387 C GLU A 25 3.433 -2.920 -5.198 1.00 0.00 C ATOM 388 O GLU A 25 4.324 -3.705 -5.523 1.00 0.00 O ATOM 389 CB GLU A 25 4.122 -0.771 -4.116 1.00 0.00 C ATOM 390 CG GLU A 25 5.041 0.415 -4.359 1.00 0.00 C ATOM 391 CD GLU A 25 4.539 1.325 -5.463 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.704 0.969 -6.648 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.980 2.395 -5.140 1.00 0.00 O ATOM 0 H GLU A 25 2.042 -0.029 -5.212 1.00 0.00 H new ATOM 0 HA GLU A 25 4.327 -1.256 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.274 -0.445 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.657 -1.521 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.140 0.988 -3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.036 0.052 -4.617 1.00 0.00 H new ATOM 400 N TYR A 26 2.286 -3.311 -4.655 1.00 0.00 N ATOM 401 CA TYR A 26 2.000 -4.719 -4.404 1.00 0.00 C ATOM 402 C TYR A 26 1.944 -5.505 -5.710 1.00 0.00 C ATOM 403 O TYR A 26 2.573 -6.555 -5.843 1.00 0.00 O ATOM 404 CB TYR A 26 0.678 -4.866 -3.650 1.00 0.00 C ATOM 405 CG TYR A 26 0.287 -6.303 -3.386 1.00 0.00 C ATOM 406 CD1 TYR A 26 1.122 -7.150 -2.668 1.00 0.00 C ATOM 407 CD2 TYR A 26 -0.917 -6.813 -3.856 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.769 -8.463 -2.425 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.278 -8.125 -3.617 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.431 -8.946 -2.902 1.00 0.00 C ATOM 411 OH TYR A 26 -0.787 -10.254 -2.662 1.00 0.00 O ATOM 0 H TYR A 26 1.539 -2.673 -4.380 1.00 0.00 H new ATOM 0 HA TYR A 26 2.806 -5.124 -3.792 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.751 -4.338 -2.699 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.113 -4.383 -4.223 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.063 -6.775 -2.293 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.582 -6.173 -4.417 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.429 -9.108 -1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.218 -8.506 -3.988 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.662 -10.434 -3.065 1.00 0.00 H new ATOM 421 N ALA A 27 1.187 -4.989 -6.672 1.00 0.00 N ATOM 422 CA ALA A 27 1.050 -5.640 -7.969 1.00 0.00 C ATOM 423 C ALA A 27 2.405 -5.798 -8.649 1.00 0.00 C ATOM 424 O ALA A 27 2.602 -6.706 -9.457 1.00 0.00 O ATOM 425 CB ALA A 27 0.100 -4.850 -8.858 1.00 0.00 C ATOM 0 H ALA A 27 0.659 -4.122 -6.578 1.00 0.00 H new ATOM 0 HA ALA A 27 0.636 -6.635 -7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.007 -5.347 -9.823 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.880 -4.793 -8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.491 -3.843 -9.005 1.00 0.00 H new ATOM 431 N ALA A 28 3.336 -4.910 -8.318 1.00 0.00 N ATOM 432 CA ALA A 28 4.674 -4.953 -8.897 1.00 0.00 C ATOM 433 C ALA A 28 5.587 -5.878 -8.100 1.00 0.00 C ATOM 434 O ALA A 28 6.450 -6.549 -8.663 1.00 0.00 O ATOM 435 CB ALA A 28 5.265 -3.552 -8.963 1.00 0.00 C ATOM 0 H ALA A 28 3.189 -4.152 -7.652 1.00 0.00 H new ATOM 0 HA ALA A 28 4.593 -5.349 -9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.264 -3.599 -9.397 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.630 -2.918 -9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.325 -3.135 -7.958 1.00 0.00 H new ATOM 441 N ASN A 29 5.391 -5.907 -6.786 1.00 0.00 N ATOM 442 CA ASN A 29 6.199 -6.749 -5.911 1.00 0.00 C ATOM 443 C ASN A 29 5.427 -7.121 -4.649 1.00 0.00 C ATOM 444 O ASN A 29 4.776 -6.275 -4.034 1.00 0.00 O ATOM 445 CB ASN A 29 7.498 -6.033 -5.536 1.00 0.00 C ATOM 446 CG ASN A 29 7.282 -4.955 -4.491 1.00 0.00 C ATOM 447 OD1 ASN A 29 7.056 -5.249 -3.317 1.00 0.00 O ATOM 448 ND2 ASN A 29 7.351 -3.698 -4.914 1.00 0.00 N ATOM 0 H ASN A 29 4.680 -5.357 -6.304 1.00 0.00 H new ATOM 0 HA ASN A 29 6.440 -7.665 -6.451 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.216 -6.762 -5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.935 -5.587 -6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.214 -2.930 -4.256 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.541 -3.500 -5.896 1.00 0.00 H new ATOM 455 N LYS A 30 5.504 -8.391 -4.267 1.00 0.00 N ATOM 456 CA LYS A 30 4.815 -8.876 -3.077 1.00 0.00 C ATOM 457 C LYS A 30 5.407 -8.258 -1.815 1.00 0.00 C ATOM 458 O LYS A 30 4.682 -7.911 -0.883 1.00 0.00 O ATOM 459 CB LYS A 30 4.902 -10.402 -2.999 1.00 0.00 C ATOM 460 CG LYS A 30 4.570 -11.098 -4.308 1.00 0.00 C ATOM 461 CD LYS A 30 3.967 -12.473 -4.071 1.00 0.00 C ATOM 462 CE LYS A 30 5.016 -13.467 -3.597 1.00 0.00 C ATOM 463 NZ LYS A 30 4.490 -14.860 -3.571 1.00 0.00 N ATOM 0 H LYS A 30 6.037 -9.104 -4.765 1.00 0.00 H new ATOM 0 HA LYS A 30 3.768 -8.580 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.909 -10.685 -2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.221 -10.757 -2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.871 -10.487 -4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.474 -11.195 -4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.172 -12.400 -3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.511 -12.835 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.884 -13.419 -4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.355 -13.188 -2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.235 -15.506 -3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.677 -14.912 -2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.190 -15.136 -4.528 1.00 0.00 H new ATOM 477 N PHE A 31 6.729 -8.121 -1.793 1.00 0.00 N ATOM 478 CA PHE A 31 7.418 -7.543 -0.645 1.00 0.00 C ATOM 479 C PHE A 31 8.298 -6.371 -1.072 1.00 0.00 C ATOM 480 O PHE A 31 9.085 -6.483 -2.012 1.00 0.00 O ATOM 481 CB PHE A 31 8.269 -8.606 0.054 1.00 0.00 C ATOM 482 CG PHE A 31 7.458 -9.651 0.764 1.00 0.00 C ATOM 483 CD1 PHE A 31 6.986 -9.428 2.048 1.00 0.00 C ATOM 484 CD2 PHE A 31 7.167 -10.858 0.148 1.00 0.00 C ATOM 485 CE1 PHE A 31 6.239 -10.387 2.704 1.00 0.00 C ATOM 486 CE2 PHE A 31 6.420 -11.821 0.799 1.00 0.00 C ATOM 487 CZ PHE A 31 5.956 -11.586 2.079 1.00 0.00 C ATOM 0 H PHE A 31 7.344 -8.402 -2.557 1.00 0.00 H new ATOM 0 HA PHE A 31 6.665 -7.174 0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.907 -9.092 -0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.927 -8.118 0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.205 -8.493 2.542 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.528 -11.048 -0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.877 -10.200 3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.199 -12.757 0.308 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.373 -12.338 2.590 1.00 0.00 H new ATOM 497 N ILE A 32 8.156 -5.249 -0.376 1.00 0.00 N ATOM 498 CA ILE A 32 8.937 -4.057 -0.682 1.00 0.00 C ATOM 499 C ILE A 32 10.198 -3.991 0.173 1.00 0.00 C ATOM 500 O ILE A 32 10.319 -4.694 1.177 1.00 0.00 O ATOM 501 CB ILE A 32 8.115 -2.773 -0.462 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.813 -2.583 1.025 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.825 -2.826 -1.268 1.00 0.00 C ATOM 504 CD1 ILE A 32 7.029 -1.325 1.327 1.00 0.00 C ATOM 0 H ILE A 32 7.507 -5.140 0.404 1.00 0.00 H new ATOM 0 HA ILE A 32 9.216 -4.125 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 32 8.701 -1.921 -0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.253 -3.446 1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.752 -2.558 1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.255 -1.912 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.062 -2.919 -2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.233 -3.685 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.851 -1.256 2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.596 -0.455 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.074 -1.357 0.802 1.00 0.00 H new ATOM 516 N THR A 33 11.137 -3.141 -0.230 1.00 0.00 N ATOM 517 CA THR A 33 12.389 -2.982 0.498 1.00 0.00 C ATOM 518 C THR A 33 12.342 -1.764 1.414 1.00 0.00 C ATOM 519 O THR A 33 11.453 -0.920 1.297 1.00 0.00 O ATOM 520 CB THR A 33 13.584 -2.842 -0.463 1.00 0.00 C ATOM 521 OG1 THR A 33 14.795 -2.670 0.282 1.00 0.00 O ATOM 522 CG2 THR A 33 13.389 -1.661 -1.401 1.00 0.00 C ATOM 0 H THR A 33 11.054 -2.551 -1.058 1.00 0.00 H new ATOM 0 HA THR A 33 12.520 -3.881 1.100 1.00 0.00 H new ATOM 0 HB THR A 33 13.650 -3.752 -1.059 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.550 -2.583 -0.337 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.246 -1.582 -2.070 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.482 -1.808 -1.988 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.299 -0.744 -0.818 1.00 0.00 H new ATOM 530 N LYS A 34 13.305 -1.678 2.325 1.00 0.00 N ATOM 531 CA LYS A 34 13.376 -0.561 3.261 1.00 0.00 C ATOM 532 C LYS A 34 13.452 0.768 2.517 1.00 0.00 C ATOM 533 O LYS A 34 13.032 1.804 3.032 1.00 0.00 O ATOM 534 CB LYS A 34 14.590 -0.715 4.179 1.00 0.00 C ATOM 535 CG LYS A 34 14.234 -1.135 5.594 1.00 0.00 C ATOM 536 CD LYS A 34 15.476 -1.358 6.439 1.00 0.00 C ATOM 537 CE LYS A 34 15.134 -2.002 7.775 1.00 0.00 C ATOM 538 NZ LYS A 34 16.215 -1.803 8.779 1.00 0.00 N ATOM 0 H LYS A 34 14.048 -2.368 2.436 1.00 0.00 H new ATOM 0 HA LYS A 34 12.469 -0.567 3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.268 -1.453 3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.130 0.231 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.611 -0.369 6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.644 -2.051 5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.177 -1.993 5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.976 -0.405 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.204 -1.579 8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.964 -3.069 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.944 -2.256 9.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.097 -2.228 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.360 -0.785 8.936 1.00 0.00 H new ATOM 552 N ASP A 35 13.990 0.731 1.302 1.00 0.00 N ATOM 553 CA ASP A 35 14.119 1.933 0.486 1.00 0.00 C ATOM 554 C ASP A 35 12.807 2.250 -0.224 1.00 0.00 C ATOM 555 O ASP A 35 12.598 3.368 -0.696 1.00 0.00 O ATOM 556 CB ASP A 35 15.240 1.760 -0.540 1.00 0.00 C ATOM 557 CG ASP A 35 16.549 2.367 -0.074 1.00 0.00 C ATOM 558 OD1 ASP A 35 16.527 3.509 0.430 1.00 0.00 O ATOM 559 OD2 ASP A 35 17.595 1.700 -0.214 1.00 0.00 O ATOM 0 H ASP A 35 14.344 -0.118 0.861 1.00 0.00 H new ATOM 0 HA ASP A 35 14.365 2.766 1.145 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.386 0.698 -0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.942 2.223 -1.481 1.00 0.00 H new ATOM 564 N LYS A 36 11.925 1.259 -0.299 1.00 0.00 N ATOM 565 CA LYS A 36 10.632 1.431 -0.951 1.00 0.00 C ATOM 566 C LYS A 36 9.546 1.752 0.070 1.00 0.00 C ATOM 567 O LYS A 36 8.626 2.521 -0.209 1.00 0.00 O ATOM 568 CB LYS A 36 10.259 0.168 -1.730 1.00 0.00 C ATOM 569 CG LYS A 36 8.850 0.197 -2.296 1.00 0.00 C ATOM 570 CD LYS A 36 8.631 1.409 -3.185 1.00 0.00 C ATOM 571 CE LYS A 36 9.547 1.383 -4.399 1.00 0.00 C ATOM 572 NZ LYS A 36 9.248 2.494 -5.344 1.00 0.00 N ATOM 0 H LYS A 36 12.082 0.327 0.084 1.00 0.00 H new ATOM 0 HA LYS A 36 10.711 2.268 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.967 0.033 -2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.360 -0.697 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.668 -0.713 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.129 0.209 -1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.592 1.438 -3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.810 2.319 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.585 1.453 -4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.439 0.429 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.894 2.441 -6.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.266 2.413 -5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.375 3.405 -4.860 1.00 0.00 H new ATOM 586 N ARG A 37 9.659 1.159 1.254 1.00 0.00 N ATOM 587 CA ARG A 37 8.686 1.382 2.316 1.00 0.00 C ATOM 588 C ARG A 37 8.738 2.826 2.807 1.00 0.00 C ATOM 589 O ARG A 37 7.749 3.356 3.314 1.00 0.00 O ATOM 590 CB ARG A 37 8.944 0.426 3.482 1.00 0.00 C ATOM 591 CG ARG A 37 7.972 0.599 4.638 1.00 0.00 C ATOM 592 CD ARG A 37 7.612 -0.737 5.269 1.00 0.00 C ATOM 593 NE ARG A 37 8.143 -0.864 6.623 1.00 0.00 N ATOM 594 CZ ARG A 37 9.395 -1.214 6.893 1.00 0.00 C ATOM 595 NH1 ARG A 37 10.242 -1.470 5.905 1.00 0.00 N ATOM 596 NH2 ARG A 37 9.803 -1.307 8.152 1.00 0.00 N ATOM 0 H ARG A 37 10.415 0.520 1.502 1.00 0.00 H new ATOM 0 HA ARG A 37 7.693 1.190 1.910 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.885 -0.600 3.119 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.960 0.577 3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.414 1.251 5.392 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.066 1.090 4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.528 -0.846 5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.000 -1.546 4.650 1.00 0.00 H new ATOM 0 HE ARG A 37 7.517 -0.673 7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.932 -1.398 4.936 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.203 -1.739 6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.155 -1.110 8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.765 -1.576 8.358 1.00 0.00 H new ATOM 610 N ARG A 38 9.898 3.456 2.653 1.00 0.00 N ATOM 611 CA ARG A 38 10.080 4.838 3.081 1.00 0.00 C ATOM 612 C ARG A 38 9.350 5.798 2.146 1.00 0.00 C ATOM 613 O ARG A 38 8.712 6.751 2.593 1.00 0.00 O ATOM 614 CB ARG A 38 11.568 5.188 3.128 1.00 0.00 C ATOM 615 CG ARG A 38 12.282 4.994 1.800 1.00 0.00 C ATOM 616 CD ARG A 38 13.777 5.237 1.930 1.00 0.00 C ATOM 617 NE ARG A 38 14.105 6.660 1.908 1.00 0.00 N ATOM 618 CZ ARG A 38 15.339 7.132 2.039 1.00 0.00 C ATOM 619 NH1 ARG A 38 16.358 6.299 2.201 1.00 0.00 N ATOM 620 NH2 ARG A 38 15.557 8.441 2.008 1.00 0.00 N ATOM 0 H ARG A 38 10.726 3.031 2.235 1.00 0.00 H new ATOM 0 HA ARG A 38 9.658 4.941 4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.679 6.226 3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.054 4.572 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.107 3.981 1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.865 5.675 1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.136 4.797 2.860 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.298 4.732 1.116 1.00 0.00 H new ATOM 0 HE ARG A 38 13.344 7.328 1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.195 5.292 2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.305 6.665 2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.776 9.085 1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.505 8.803 2.109 1.00 0.00 H new ATOM 634 N LYS A 39 9.449 5.540 0.847 1.00 0.00 N ATOM 635 CA LYS A 39 8.798 6.379 -0.152 1.00 0.00 C ATOM 636 C LYS A 39 7.281 6.321 -0.007 1.00 0.00 C ATOM 637 O LYS A 39 6.616 7.354 0.076 1.00 0.00 O ATOM 638 CB LYS A 39 9.203 5.938 -1.561 1.00 0.00 C ATOM 639 CG LYS A 39 10.699 6.007 -1.813 1.00 0.00 C ATOM 640 CD LYS A 39 11.110 7.363 -2.361 1.00 0.00 C ATOM 641 CE LYS A 39 10.785 7.489 -3.841 1.00 0.00 C ATOM 642 NZ LYS A 39 11.476 8.650 -4.465 1.00 0.00 N ATOM 0 H LYS A 39 9.974 4.756 0.461 1.00 0.00 H new ATOM 0 HA LYS A 39 9.122 7.408 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.862 4.916 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.691 6.565 -2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.235 5.811 -0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.987 5.226 -2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.599 8.150 -1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.179 7.509 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.077 6.574 -4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.708 7.597 -3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.228 8.700 -5.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.179 9.527 -3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.505 8.535 -4.367 1.00 0.00 H new ATOM 656 N ILE A 40 6.740 5.108 0.026 1.00 0.00 N ATOM 657 CA ILE A 40 5.302 4.916 0.164 1.00 0.00 C ATOM 658 C ILE A 40 4.766 5.640 1.395 1.00 0.00 C ATOM 659 O ILE A 40 3.683 6.224 1.362 1.00 0.00 O ATOM 660 CB ILE A 40 4.939 3.423 0.263 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.469 2.665 -0.956 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.433 3.250 0.387 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.300 1.165 -0.856 1.00 0.00 C ATOM 0 H ILE A 40 7.276 4.243 -0.041 1.00 0.00 H new ATOM 0 HA ILE A 40 4.842 5.335 -0.731 1.00 0.00 H new ATOM 0 HB ILE A 40 5.407 3.010 1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.954 3.022 -1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.526 2.895 -1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.193 2.189 0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.081 3.761 1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.944 3.676 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.698 0.693 -1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.839 0.796 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.242 0.924 -0.758 1.00 0.00 H new ATOM 675 N SER A 41 5.534 5.600 2.479 1.00 0.00 N ATOM 676 CA SER A 41 5.137 6.250 3.722 1.00 0.00 C ATOM 677 C SER A 41 5.029 7.761 3.534 1.00 0.00 C ATOM 678 O SER A 41 4.303 8.437 4.262 1.00 0.00 O ATOM 679 CB SER A 41 6.141 5.934 4.832 1.00 0.00 C ATOM 680 OG SER A 41 6.236 7.005 5.754 1.00 0.00 O ATOM 0 H SER A 41 6.435 5.124 2.521 1.00 0.00 H new ATOM 0 HA SER A 41 4.158 5.865 4.007 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.837 5.027 5.354 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.120 5.738 4.396 1.00 0.00 H new ATOM 0 HG SER A 41 5.419 7.046 6.294 1.00 0.00 H new ATOM 686 N ALA A 42 5.756 8.282 2.552 1.00 0.00 N ATOM 687 CA ALA A 42 5.741 9.711 2.266 1.00 0.00 C ATOM 688 C ALA A 42 4.662 10.056 1.245 1.00 0.00 C ATOM 689 O ALA A 42 3.942 11.042 1.399 1.00 0.00 O ATOM 690 CB ALA A 42 7.106 10.164 1.766 1.00 0.00 C ATOM 0 H ALA A 42 6.363 7.736 1.941 1.00 0.00 H new ATOM 0 HA ALA A 42 5.511 10.238 3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.080 11.233 1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.858 9.962 2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.358 9.622 0.855 1.00 0.00 H new ATOM 696 N ALA A 43 4.555 9.237 0.204 1.00 0.00 N ATOM 697 CA ALA A 43 3.562 9.454 -0.841 1.00 0.00 C ATOM 698 C ALA A 43 2.151 9.215 -0.315 1.00 0.00 C ATOM 699 O ALA A 43 1.182 9.778 -0.826 1.00 0.00 O ATOM 700 CB ALA A 43 3.844 8.552 -2.033 1.00 0.00 C ATOM 0 H ALA A 43 5.144 8.417 0.062 1.00 0.00 H new ATOM 0 HA ALA A 43 3.630 10.493 -1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.095 8.725 -2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.834 8.774 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.806 7.509 -1.717 1.00 0.00 H new ATOM 706 N THR A 44 2.041 8.374 0.709 1.00 0.00 N ATOM 707 CA THR A 44 0.747 8.058 1.302 1.00 0.00 C ATOM 708 C THR A 44 0.619 8.664 2.695 1.00 0.00 C ATOM 709 O THR A 44 -0.466 8.682 3.277 1.00 0.00 O ATOM 710 CB THR A 44 0.529 6.536 1.395 1.00 0.00 C ATOM 711 OG1 THR A 44 1.308 5.993 2.466 1.00 0.00 O ATOM 712 CG2 THR A 44 0.909 5.854 0.089 1.00 0.00 C ATOM 0 H THR A 44 2.832 7.900 1.145 1.00 0.00 H new ATOM 0 HA THR A 44 -0.014 8.488 0.650 1.00 0.00 H new ATOM 0 HB THR A 44 -0.528 6.355 1.588 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.233 5.867 2.167 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.747 4.780 0.179 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.293 6.248 -0.720 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.960 6.045 -0.129 1.00 0.00 H new ATOM 720 N SER A 45 1.732 9.160 3.224 1.00 0.00 N ATOM 721 CA SER A 45 1.744 9.765 4.551 1.00 0.00 C ATOM 722 C SER A 45 1.385 8.737 5.620 1.00 0.00 C ATOM 723 O SER A 45 0.816 9.076 6.658 1.00 0.00 O ATOM 724 CB SER A 45 0.766 10.940 4.608 1.00 0.00 C ATOM 725 OG SER A 45 0.831 11.716 3.424 1.00 0.00 O ATOM 0 H SER A 45 2.637 9.155 2.754 1.00 0.00 H new ATOM 0 HA SER A 45 2.752 10.131 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.249 10.566 4.746 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.995 11.566 5.470 1.00 0.00 H new ATOM 0 HG SER A 45 0.195 12.459 3.485 1.00 0.00 H new ATOM 731 N LEU A 46 1.721 7.479 5.358 1.00 0.00 N ATOM 732 CA LEU A 46 1.435 6.399 6.296 1.00 0.00 C ATOM 733 C LEU A 46 2.704 5.952 7.015 1.00 0.00 C ATOM 734 O LEU A 46 3.811 6.329 6.633 1.00 0.00 O ATOM 735 CB LEU A 46 0.805 5.214 5.563 1.00 0.00 C ATOM 736 CG LEU A 46 -0.578 5.457 4.958 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.831 4.501 3.803 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.658 5.310 6.020 1.00 0.00 C ATOM 0 H LEU A 46 2.192 7.181 4.504 1.00 0.00 H new ATOM 0 HA LEU A 46 0.731 6.773 7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.480 4.906 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.733 4.378 6.259 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.611 6.476 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.820 4.689 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.076 4.654 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.778 3.473 4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.636 5.486 5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.626 4.303 6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.487 6.036 6.815 1.00 0.00 H new ATOM 750 N SER A 47 2.534 5.143 8.056 1.00 0.00 N ATOM 751 CA SER A 47 3.666 4.645 8.829 1.00 0.00 C ATOM 752 C SER A 47 4.278 3.415 8.165 1.00 0.00 C ATOM 753 O SER A 47 3.584 2.643 7.505 1.00 0.00 O ATOM 754 CB SER A 47 3.226 4.303 10.254 1.00 0.00 C ATOM 755 OG SER A 47 3.488 5.377 11.140 1.00 0.00 O ATOM 0 H SER A 47 1.624 4.819 8.383 1.00 0.00 H new ATOM 0 HA SER A 47 4.422 5.430 8.868 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.161 4.071 10.263 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.750 3.410 10.595 1.00 0.00 H new ATOM 0 HG SER A 47 3.196 5.134 12.044 1.00 0.00 H new ATOM 761 N GLU A 48 5.584 3.242 8.345 1.00 0.00 N ATOM 762 CA GLU A 48 6.290 2.107 7.763 1.00 0.00 C ATOM 763 C GLU A 48 5.599 0.794 8.119 1.00 0.00 C ATOM 764 O GLU A 48 5.580 -0.145 7.324 1.00 0.00 O ATOM 765 CB GLU A 48 7.742 2.079 8.246 1.00 0.00 C ATOM 766 CG GLU A 48 8.459 3.411 8.096 1.00 0.00 C ATOM 767 CD GLU A 48 9.950 3.302 8.349 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.356 3.335 9.530 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.712 3.183 7.366 1.00 0.00 O ATOM 0 H GLU A 48 6.173 3.873 8.888 1.00 0.00 H new ATOM 0 HA GLU A 48 6.277 2.222 6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.762 1.781 9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.287 1.318 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.292 3.798 7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.028 4.132 8.791 1.00 0.00 H new ATOM 776 N ARG A 49 5.033 0.738 9.320 1.00 0.00 N ATOM 777 CA ARG A 49 4.342 -0.460 9.784 1.00 0.00 C ATOM 778 C ARG A 49 2.983 -0.600 9.104 1.00 0.00 C ATOM 779 O ARG A 49 2.640 -1.667 8.596 1.00 0.00 O ATOM 780 CB ARG A 49 4.163 -0.416 11.302 1.00 0.00 C ATOM 781 CG ARG A 49 3.795 -1.759 11.911 1.00 0.00 C ATOM 782 CD ARG A 49 4.930 -2.762 11.776 1.00 0.00 C ATOM 783 NE ARG A 49 6.142 -2.311 12.455 1.00 0.00 N ATOM 784 CZ ARG A 49 7.171 -3.106 12.726 1.00 0.00 C ATOM 785 NH1 ARG A 49 7.135 -4.385 12.378 1.00 0.00 N ATOM 786 NH2 ARG A 49 8.240 -2.622 13.347 1.00 0.00 N ATOM 0 H ARG A 49 5.039 1.508 9.989 1.00 0.00 H new ATOM 0 HA ARG A 49 4.951 -1.325 9.523 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.087 -0.061 11.758 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.387 0.309 11.547 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.548 -1.627 12.964 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.903 -2.149 11.421 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.618 -3.721 12.190 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.145 -2.926 10.720 1.00 0.00 H new ATOM 0 HE ARG A 49 6.201 -1.332 12.736 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.316 -4.761 11.901 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.927 -4.993 12.587 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.272 -1.639 13.617 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.030 -3.233 13.555 1.00 0.00 H new ATOM 800 N GLN A 50 2.214 0.484 9.101 1.00 0.00 N ATOM 801 CA GLN A 50 0.892 0.481 8.485 1.00 0.00 C ATOM 802 C GLN A 50 0.959 -0.045 7.055 1.00 0.00 C ATOM 803 O GLN A 50 0.137 -0.867 6.647 1.00 0.00 O ATOM 804 CB GLN A 50 0.298 1.890 8.496 1.00 0.00 C ATOM 805 CG GLN A 50 -0.194 2.333 9.864 1.00 0.00 C ATOM 806 CD GLN A 50 -1.390 3.261 9.782 1.00 0.00 C ATOM 807 OE1 GLN A 50 -2.439 2.993 10.368 1.00 0.00 O ATOM 808 NE2 GLN A 50 -1.238 4.360 9.052 1.00 0.00 N ATOM 0 H GLN A 50 2.483 1.375 9.518 1.00 0.00 H new ATOM 0 HA GLN A 50 0.249 -0.181 9.066 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.051 2.595 8.144 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.532 1.931 7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.460 1.455 10.452 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.616 2.836 10.392 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.351 4.542 8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.009 5.022 8.960 1.00 0.00 H new ATOM 817 N ILE A 51 1.941 0.433 6.300 1.00 0.00 N ATOM 818 CA ILE A 51 2.115 0.010 4.916 1.00 0.00 C ATOM 819 C ILE A 51 2.408 -1.484 4.830 1.00 0.00 C ATOM 820 O ILE A 51 1.900 -2.179 3.949 1.00 0.00 O ATOM 821 CB ILE A 51 3.255 0.785 4.229 1.00 0.00 C ATOM 822 CG1 ILE A 51 2.983 2.290 4.283 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.417 0.322 2.789 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.173 3.133 3.884 1.00 0.00 C ATOM 0 H ILE A 51 2.629 1.114 6.623 1.00 0.00 H new ATOM 0 HA ILE A 51 1.179 0.225 4.401 1.00 0.00 H new ATOM 0 HB ILE A 51 4.184 0.584 4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.146 2.524 3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.679 2.560 5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.226 0.879 2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.651 -0.742 2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.490 0.497 2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.908 4.189 3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.006 2.928 4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.464 2.891 2.862 1.00 0.00 H new ATOM 836 N THR A 52 3.229 -1.975 5.753 1.00 0.00 N ATOM 837 CA THR A 52 3.589 -3.387 5.783 1.00 0.00 C ATOM 838 C THR A 52 2.384 -4.254 6.127 1.00 0.00 C ATOM 839 O THR A 52 2.097 -5.235 5.440 1.00 0.00 O ATOM 840 CB THR A 52 4.711 -3.659 6.803 1.00 0.00 C ATOM 841 OG1 THR A 52 5.872 -2.888 6.472 1.00 0.00 O ATOM 842 CG2 THR A 52 5.069 -5.137 6.832 1.00 0.00 C ATOM 0 H THR A 52 3.657 -1.415 6.490 1.00 0.00 H new ATOM 0 HA THR A 52 3.945 -3.644 4.785 1.00 0.00 H new ATOM 0 HB THR A 52 4.352 -3.369 7.791 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.802 -2.000 6.880 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.863 -5.305 7.559 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.191 -5.719 7.113 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.410 -5.448 5.845 1.00 0.00 H new ATOM 850 N ILE A 53 1.682 -3.887 7.194 1.00 0.00 N ATOM 851 CA ILE A 53 0.506 -4.632 7.627 1.00 0.00 C ATOM 852 C ILE A 53 -0.471 -4.836 6.474 1.00 0.00 C ATOM 853 O ILE A 53 -0.960 -5.943 6.251 1.00 0.00 O ATOM 854 CB ILE A 53 -0.220 -3.916 8.781 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.721 -3.740 9.974 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.462 -4.694 9.189 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.302 -2.633 10.916 1.00 0.00 C ATOM 0 H ILE A 53 1.907 -3.079 7.774 1.00 0.00 H new ATOM 0 HA ILE A 53 0.858 -5.602 7.977 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.530 -2.929 8.439 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.772 -4.677 10.528 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.726 -3.532 9.606 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.964 -4.175 10.006 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.139 -4.772 8.338 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.174 -5.693 9.516 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.015 -2.565 11.738 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.279 -1.686 10.377 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.690 -2.849 11.313 1.00 0.00 H new ATOM 869 N TRP A 54 -0.749 -3.761 5.745 1.00 0.00 N ATOM 870 CA TRP A 54 -1.667 -3.823 4.614 1.00 0.00 C ATOM 871 C TRP A 54 -1.196 -4.845 3.585 1.00 0.00 C ATOM 872 O TRP A 54 -2.000 -5.588 3.021 1.00 0.00 O ATOM 873 CB TRP A 54 -1.796 -2.446 3.960 1.00 0.00 C ATOM 874 CG TRP A 54 -2.835 -2.395 2.881 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.116 -1.935 2.998 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.682 -2.823 1.523 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.768 -2.050 1.794 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.910 -2.591 0.873 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.628 -3.377 0.793 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.110 -2.896 -0.471 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.827 -3.679 -0.541 1.00 0.00 C ATOM 882 CH2 TRP A 54 -3.060 -3.438 -1.162 1.00 0.00 C ATOM 0 H TRP A 54 -0.352 -2.837 5.917 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.643 -4.134 4.987 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.041 -1.710 4.726 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.832 -2.160 3.540 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.552 -1.539 3.903 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.734 -1.777 1.615 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.674 -3.566 1.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.060 -2.711 -0.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.019 -4.108 -1.115 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.184 -3.685 -2.206 1.00 0.00 H new ATOM 893 N PHE A 55 0.111 -4.879 3.346 1.00 0.00 N ATOM 894 CA PHE A 55 0.688 -5.811 2.385 1.00 0.00 C ATOM 895 C PHE A 55 0.554 -7.250 2.874 1.00 0.00 C ATOM 896 O PHE A 55 0.477 -8.182 2.075 1.00 0.00 O ATOM 897 CB PHE A 55 2.162 -5.478 2.142 1.00 0.00 C ATOM 898 CG PHE A 55 2.390 -4.610 0.938 1.00 0.00 C ATOM 899 CD1 PHE A 55 1.925 -3.306 0.909 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.071 -5.099 -0.166 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.133 -2.506 -0.199 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.283 -4.303 -1.276 1.00 0.00 C ATOM 903 CZ PHE A 55 2.814 -3.005 -1.292 1.00 0.00 C ATOM 0 H PHE A 55 0.790 -4.272 3.805 1.00 0.00 H new ATOM 0 HA PHE A 55 0.141 -5.713 1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.563 -4.976 3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.721 -6.406 2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.394 -2.910 1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.440 -6.114 -0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.763 -1.491 -0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.815 -4.696 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.979 -2.381 -2.158 1.00 0.00 H new ATOM 913 N GLN A 56 0.526 -7.420 4.191 1.00 0.00 N ATOM 914 CA GLN A 56 0.402 -8.746 4.787 1.00 0.00 C ATOM 915 C GLN A 56 -1.030 -9.259 4.680 1.00 0.00 C ATOM 916 O GLN A 56 -1.265 -10.385 4.244 1.00 0.00 O ATOM 917 CB GLN A 56 0.836 -8.711 6.254 1.00 0.00 C ATOM 918 CG GLN A 56 2.345 -8.700 6.442 1.00 0.00 C ATOM 919 CD GLN A 56 2.793 -9.546 7.617 1.00 0.00 C ATOM 920 OE1 GLN A 56 3.631 -10.436 7.472 1.00 0.00 O ATOM 921 NE2 GLN A 56 2.235 -9.271 8.791 1.00 0.00 N ATOM 0 H GLN A 56 0.587 -6.658 4.866 1.00 0.00 H new ATOM 0 HA GLN A 56 1.054 -9.426 4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.413 -7.826 6.728 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.420 -9.578 6.768 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.823 -9.065 5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.681 -7.674 6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.544 -8.524 8.865 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.497 -9.807 9.618 1.00 0.00 H new ATOM 930 N ASN A 57 -1.983 -8.425 5.082 1.00 0.00 N ATOM 931 CA ASN A 57 -3.393 -8.795 5.032 1.00 0.00 C ATOM 932 C ASN A 57 -3.816 -9.136 3.607 1.00 0.00 C ATOM 933 O ASN A 57 -4.801 -9.843 3.393 1.00 0.00 O ATOM 934 CB ASN A 57 -4.260 -7.657 5.575 1.00 0.00 C ATOM 935 CG ASN A 57 -4.604 -7.840 7.040 1.00 0.00 C ATOM 936 OD1 ASN A 57 -4.890 -8.951 7.488 1.00 0.00 O ATOM 937 ND2 ASN A 57 -4.578 -6.748 7.795 1.00 0.00 N ATOM 0 H ASN A 57 -1.805 -7.489 5.446 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.533 -9.679 5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.736 -6.710 5.443 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.180 -7.596 4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.801 -6.809 8.789 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.335 -5.848 7.381 1.00 0.00 H new ATOM 944 N ARG A 58 -3.064 -8.630 2.635 1.00 0.00 N ATOM 945 CA ARG A 58 -3.361 -8.880 1.230 1.00 0.00 C ATOM 946 C ARG A 58 -2.932 -10.288 0.826 1.00 0.00 C ATOM 947 O ARG A 58 -3.726 -11.059 0.289 1.00 0.00 O ATOM 948 CB ARG A 58 -2.658 -7.848 0.346 1.00 0.00 C ATOM 949 CG ARG A 58 -3.199 -7.791 -1.073 1.00 0.00 C ATOM 950 CD ARG A 58 -4.673 -7.416 -1.091 1.00 0.00 C ATOM 951 NE ARG A 58 -5.535 -8.589 -1.210 1.00 0.00 N ATOM 952 CZ ARG A 58 -6.792 -8.538 -1.636 1.00 0.00 C ATOM 953 NH1 ARG A 58 -7.331 -7.377 -1.983 1.00 0.00 N ATOM 954 NH2 ARG A 58 -7.512 -9.649 -1.717 1.00 0.00 N ATOM 0 H ARG A 58 -2.244 -8.044 2.795 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.439 -8.793 1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.757 -6.863 0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.593 -8.078 0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.630 -7.064 -1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.062 -8.759 -1.555 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.921 -6.875 -0.177 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.865 -6.739 -1.924 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.150 -9.498 -0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.780 -6.521 -1.923 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.297 -7.340 -2.310 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.100 -10.544 -1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.477 -9.608 -2.044 1.00 0.00 H new ATOM 968 N ARG A 59 -1.670 -10.614 1.088 1.00 0.00 N ATOM 969 CA ARG A 59 -1.135 -11.928 0.751 1.00 0.00 C ATOM 970 C ARG A 59 -1.746 -13.008 1.638 1.00 0.00 C ATOM 971 O ARG A 59 -2.226 -14.031 1.148 1.00 0.00 O ATOM 972 CB ARG A 59 0.388 -11.934 0.896 1.00 0.00 C ATOM 973 CG ARG A 59 1.126 -11.785 -0.424 1.00 0.00 C ATOM 974 CD ARG A 59 2.594 -11.452 -0.207 1.00 0.00 C ATOM 975 NE ARG A 59 3.469 -12.555 -0.595 1.00 0.00 N ATOM 976 CZ ARG A 59 3.739 -13.590 0.192 1.00 0.00 C ATOM 977 NH1 ARG A 59 3.204 -13.664 1.403 1.00 0.00 N ATOM 978 NH2 ARG A 59 4.544 -14.555 -0.232 1.00 0.00 N ATOM 0 H ARG A 59 -1.000 -9.987 1.532 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.395 -12.144 -0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.684 -11.123 1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.696 -12.865 1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.042 -12.709 -0.995 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.658 -11.000 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.853 -10.564 -0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.759 -11.210 0.843 1.00 0.00 H new ATOM 0 HE ARG A 59 3.896 -12.529 -1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.583 -12.925 1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.413 -14.460 2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.956 -14.503 -1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.751 -15.349 0.373 1.00 0.00 H new ATOM 992 N VAL A 60 -1.725 -12.774 2.946 1.00 0.00 N ATOM 993 CA VAL A 60 -2.277 -13.727 3.903 1.00 0.00 C ATOM 994 C VAL A 60 -3.722 -14.072 3.562 1.00 0.00 C ATOM 995 O VAL A 60 -4.207 -15.155 3.888 1.00 0.00 O ATOM 996 CB VAL A 60 -2.217 -13.177 5.340 1.00 0.00 C ATOM 997 CG1 VAL A 60 -2.808 -14.179 6.320 1.00 0.00 C ATOM 998 CG2 VAL A 60 -0.785 -12.831 5.718 1.00 0.00 C ATOM 0 H VAL A 60 -1.332 -11.933 3.368 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.667 -14.628 3.841 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.812 -12.265 5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.757 -13.773 7.330 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.848 -14.373 6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.243 -15.110 6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.761 -12.444 6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.166 -13.726 5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.400 -12.075 5.033 1.00 0.00 H new ATOM 1008 N LYS A 61 -4.407 -13.143 2.903 1.00 0.00 N ATOM 1009 CA LYS A 61 -5.798 -13.348 2.516 1.00 0.00 C ATOM 1010 C LYS A 61 -5.964 -14.663 1.760 1.00 0.00 C ATOM 1011 O LYS A 61 -6.755 -15.519 2.155 1.00 0.00 O ATOM 1012 CB LYS A 61 -6.284 -12.185 1.648 1.00 0.00 C ATOM 1013 CG LYS A 61 -7.743 -11.827 1.873 1.00 0.00 C ATOM 1014 CD LYS A 61 -7.991 -10.342 1.668 1.00 0.00 C ATOM 1015 CE LYS A 61 -9.407 -10.075 1.181 1.00 0.00 C ATOM 1016 NZ LYS A 61 -9.572 -8.678 0.694 1.00 0.00 N ATOM 0 H LYS A 61 -4.021 -12.240 2.626 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.399 -13.392 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.668 -11.309 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.139 -12.440 0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.369 -12.399 1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.036 -12.110 2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.821 -9.811 2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.276 -9.949 0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.652 -10.771 0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.111 -10.263 1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.320 -8.648 -0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.834 -8.062 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.677 -8.347 0.280 1.00 0.00 H new ATOM 1030 N GLU A 62 -5.212 -14.816 0.674 1.00 0.00 N ATOM 1031 CA GLU A 62 -5.277 -16.027 -0.135 1.00 0.00 C ATOM 1032 C GLU A 62 -4.688 -17.216 0.619 1.00 0.00 C ATOM 1033 O GLU A 62 -5.078 -18.363 0.395 1.00 0.00 O ATOM 1034 CB GLU A 62 -4.531 -15.826 -1.455 1.00 0.00 C ATOM 1035 CG GLU A 62 -3.086 -15.391 -1.278 1.00 0.00 C ATOM 1036 CD GLU A 62 -2.255 -15.606 -2.528 1.00 0.00 C ATOM 1037 OE1 GLU A 62 -2.263 -16.735 -3.059 1.00 0.00 O ATOM 1038 OE2 GLU A 62 -1.596 -14.643 -2.974 1.00 0.00 O ATOM 0 H GLU A 62 -4.551 -14.117 0.335 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.325 -16.236 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.554 -16.757 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.056 -15.078 -2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.059 -14.336 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.642 -15.946 -0.451 1.00 0.00 H new ATOM 1045 N LYS A 63 -3.746 -16.935 1.513 1.00 0.00 N ATOM 1046 CA LYS A 63 -3.103 -17.980 2.301 1.00 0.00 C ATOM 1047 C LYS A 63 -4.107 -18.663 3.222 1.00 0.00 C ATOM 1048 O LYS A 63 -3.971 -19.845 3.539 1.00 0.00 O ATOM 1049 CB LYS A 63 -1.956 -17.391 3.125 1.00 0.00 C ATOM 1050 CG LYS A 63 -0.749 -16.993 2.293 1.00 0.00 C ATOM 1051 CD LYS A 63 0.060 -18.207 1.868 1.00 0.00 C ATOM 1052 CE LYS A 63 1.031 -18.637 2.957 1.00 0.00 C ATOM 1053 NZ LYS A 63 2.022 -17.570 3.270 1.00 0.00 N ATOM 0 H LYS A 63 -3.411 -15.992 1.710 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.703 -18.726 1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.319 -16.516 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.646 -18.120 3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.079 -16.447 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.117 -16.316 2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.614 -19.031 1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.612 -17.977 0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.475 -18.892 3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.556 -19.538 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.895 -18.003 3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.236 -17.031 2.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.628 -16.930 3.989 1.00 0.00 H new ATOM 1067 N LYS A 64 -5.117 -17.913 3.650 1.00 0.00 N ATOM 1068 CA LYS A 64 -6.147 -18.446 4.533 1.00 0.00 C ATOM 1069 C LYS A 64 -6.858 -19.631 3.886 1.00 0.00 C ATOM 1070 O LYS A 64 -7.144 -19.618 2.689 1.00 0.00 O ATOM 1071 CB LYS A 64 -7.163 -17.356 4.882 1.00 0.00 C ATOM 1072 CG LYS A 64 -6.603 -16.266 5.778 1.00 0.00 C ATOM 1073 CD LYS A 64 -6.774 -16.610 7.248 1.00 0.00 C ATOM 1074 CE LYS A 64 -6.522 -15.402 8.137 1.00 0.00 C ATOM 1075 NZ LYS A 64 -7.769 -14.626 8.384 1.00 0.00 N ATOM 0 H LYS A 64 -5.244 -16.933 3.399 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.664 -18.790 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.529 -16.904 3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.020 -17.815 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.545 -16.121 5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.106 -15.323 5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.783 -16.985 7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.086 -17.411 7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.105 -15.732 9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.779 -14.756 7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.556 -13.811 8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.154 -14.289 7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.470 -15.235 8.853 1.00 0.00 H new ATOM 1089 N SER A 65 -7.143 -20.653 4.687 1.00 0.00 N ATOM 1090 CA SER A 65 -7.819 -21.847 4.192 1.00 0.00 C ATOM 1091 C SER A 65 -9.323 -21.616 4.091 1.00 0.00 C ATOM 1092 O SER A 65 -9.948 -21.103 5.018 1.00 0.00 O ATOM 1093 CB SER A 65 -7.534 -23.037 5.109 1.00 0.00 C ATOM 1094 OG SER A 65 -8.380 -24.132 4.801 1.00 0.00 O ATOM 0 H SER A 65 -6.916 -20.678 5.681 1.00 0.00 H new ATOM 0 HA SER A 65 -7.435 -22.066 3.196 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.492 -23.338 5.006 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.679 -22.742 6.148 1.00 0.00 H new ATOM 0 HG SER A 65 -8.177 -24.881 5.400 1.00 0.00 H new ATOM 1100 N GLY A 66 -9.900 -22.000 2.955 1.00 0.00 N ATOM 1101 CA GLY A 66 -11.326 -21.827 2.752 1.00 0.00 C ATOM 1102 C GLY A 66 -11.711 -21.853 1.286 1.00 0.00 C ATOM 1103 O GLY A 66 -10.878 -22.081 0.408 1.00 0.00 O ATOM 0 H GLY A 66 -9.405 -22.428 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.863 -22.615 3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.640 -20.879 3.190 1.00 0.00 H new ATOM 1107 N PRO A 67 -13.000 -21.617 1.005 1.00 0.00 N ATOM 1108 CA PRO A 67 -13.523 -21.610 -0.365 1.00 0.00 C ATOM 1109 C PRO A 67 -13.027 -20.413 -1.169 1.00 0.00 C ATOM 1110 O PRO A 67 -13.328 -19.265 -0.841 1.00 0.00 O ATOM 1111 CB PRO A 67 -15.039 -21.529 -0.166 1.00 0.00 C ATOM 1112 CG PRO A 67 -15.212 -20.883 1.165 1.00 0.00 C ATOM 1113 CD PRO A 67 -14.048 -21.338 2.001 1.00 0.00 C ATOM 0 HA PRO A 67 -13.199 -22.485 -0.929 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.511 -20.943 -0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.495 -22.519 -0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -15.225 -19.797 1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.158 -21.176 1.621 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.736 -20.569 2.708 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.295 -22.225 2.584 1.00 0.00 H new ATOM 1121 N SER A 68 -12.265 -20.688 -2.223 1.00 0.00 N ATOM 1122 CA SER A 68 -11.724 -19.633 -3.072 1.00 0.00 C ATOM 1123 C SER A 68 -12.228 -19.777 -4.505 1.00 0.00 C ATOM 1124 O SER A 68 -12.513 -20.881 -4.966 1.00 0.00 O ATOM 1125 CB SER A 68 -10.195 -19.666 -3.050 1.00 0.00 C ATOM 1126 OG SER A 68 -9.693 -19.253 -1.791 1.00 0.00 O ATOM 0 H SER A 68 -12.008 -21.633 -2.509 1.00 0.00 H new ATOM 0 HA SER A 68 -12.065 -18.674 -2.681 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.847 -20.675 -3.270 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.803 -19.016 -3.832 1.00 0.00 H new ATOM 0 HG SER A 68 -8.714 -19.285 -1.803 1.00 0.00 H new ATOM 1132 N SER A 69 -12.335 -18.651 -5.203 1.00 0.00 N ATOM 1133 CA SER A 69 -12.807 -18.650 -6.583 1.00 0.00 C ATOM 1134 C SER A 69 -14.170 -19.326 -6.691 1.00 0.00 C ATOM 1135 O SER A 69 -14.510 -19.903 -7.723 1.00 0.00 O ATOM 1136 CB SER A 69 -11.800 -19.359 -7.490 1.00 0.00 C ATOM 1137 OG SER A 69 -10.476 -19.181 -7.018 1.00 0.00 O ATOM 0 H SER A 69 -12.101 -17.728 -4.836 1.00 0.00 H new ATOM 0 HA SER A 69 -12.908 -17.614 -6.905 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.033 -20.423 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.883 -18.970 -8.505 1.00 0.00 H new ATOM 0 HG SER A 69 -9.851 -19.645 -7.614 1.00 0.00 H new ATOM 1143 N GLY A 70 -14.948 -19.252 -5.615 1.00 0.00 N ATOM 1144 CA GLY A 70 -16.265 -19.861 -5.608 1.00 0.00 C ATOM 1145 C GLY A 70 -16.240 -21.291 -5.105 1.00 0.00 C ATOM 1146 O GLY A 70 -15.759 -21.560 -4.004 1.00 0.00 O ATOM 0 H GLY A 70 -14.689 -18.781 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.932 -19.270 -4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -16.676 -19.841 -6.617 1.00 0.00 H new TER 1150 GLY A 70