USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 566 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 Set 1.1: A 28 HIS : no HE2:sc= -13.9! C(o=-17!,f=-24!) USER MOD Set 1.2: A 31 ASN : amide:sc= -3.4! C(o=-17!,f=-19!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0605 X(o=-0.061,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -1.93 X(o=-1.9,f=-2) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 MET CE :methyl 155:sc= -4.64! (180deg=-8.57!) USER MOD Single : A 15 THR OG1 : rot -81:sc= 0.143 USER MOD Single : A 17 HIS : no HD1:sc= -5.75! C(o=-5.8!,f=-4.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 37:sc= -9.54! USER MOD Single : A 36 CYS SG : rot 91:sc= -9.75! USER MOD Single : A 40 SER OG : rot 75:sc= 0.979 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.61 K(o=-1.6,f=-7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 144:sc= -0.15 (180deg=-0.819) USER MOD Single : A 53 SER OG : rot -109:sc= 0.111 USER MOD Single : A 54 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.911) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -149:sc= -11.8! (180deg=-15.4!) USER MOD Single : A 66 GLN : amide:sc= -1.5 X(o=-1.5,f=-2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -1.927 7.902 4.202 1.00 0.00 N ATOM 2 CA PRO A 1 -3.180 7.462 3.513 1.00 0.00 C ATOM 3 C PRO A 1 -3.556 6.049 3.970 1.00 0.00 C ATOM 4 O PRO A 1 -4.051 5.250 3.201 1.00 0.00 O ATOM 5 CB PRO A 1 -2.924 7.467 2.007 1.00 0.00 C ATOM 6 CG PRO A 1 -1.497 7.952 1.792 1.00 0.00 C ATOM 7 CD PRO A 1 -0.902 8.244 3.168 1.00 0.00 C ATOM 0 H2 PRO A 1 -1.580 7.161 4.811 1.00 0.00 H new ATOM 0 H3 PRO A 1 -2.115 8.711 4.794 1.00 0.00 H new ATOM 0 HA PRO A 1 -4.000 8.137 3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -3.057 6.468 1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -3.633 8.121 1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -0.909 7.196 1.272 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -1.485 8.848 1.171 1.00 0.00 H new ATOM 0 HD2 PRO A 1 0.004 7.658 3.323 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -0.620 9.294 3.245 1.00 0.00 H new ATOM 17 N ILE A 2 -3.329 5.736 5.217 1.00 0.00 N ATOM 18 CA ILE A 2 -3.677 4.378 5.719 1.00 0.00 C ATOM 19 C ILE A 2 -5.178 4.318 6.003 1.00 0.00 C ATOM 20 O ILE A 2 -5.927 3.660 5.306 1.00 0.00 O ATOM 21 CB ILE A 2 -2.899 4.096 7.005 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.501 4.709 6.898 1.00 0.00 C ATOM 23 CG2 ILE A 2 -2.778 2.585 7.210 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.873 4.313 5.561 1.00 0.00 C ATOM 0 H ILE A 2 -2.918 6.363 5.909 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.417 3.630 4.970 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.427 4.535 7.852 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.561 5.794 6.977 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.877 4.364 7.722 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.223 2.385 8.127 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.773 2.147 7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.251 2.144 6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.123 4.749 5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.799 3.227 5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.494 4.680 4.744 1.00 0.00 H new ATOM 36 N SER A 3 -5.625 5.009 7.015 1.00 0.00 N ATOM 37 CA SER A 3 -7.078 4.998 7.329 1.00 0.00 C ATOM 38 C SER A 3 -7.853 5.364 6.065 1.00 0.00 C ATOM 39 O SER A 3 -9.007 5.015 5.907 1.00 0.00 O ATOM 40 CB SER A 3 -7.374 6.016 8.429 1.00 0.00 C ATOM 41 OG SER A 3 -7.818 7.231 7.837 1.00 0.00 O ATOM 0 H SER A 3 -5.048 5.578 7.635 1.00 0.00 H new ATOM 0 HA SER A 3 -7.377 4.008 7.674 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.136 5.627 9.105 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.480 6.194 9.026 1.00 0.00 H new ATOM 0 HG SER A 3 -8.011 7.886 8.540 1.00 0.00 H new ATOM 47 N GLN A 4 -7.221 6.055 5.156 1.00 0.00 N ATOM 48 CA GLN A 4 -7.911 6.432 3.893 1.00 0.00 C ATOM 49 C GLN A 4 -8.188 5.162 3.092 1.00 0.00 C ATOM 50 O GLN A 4 -9.314 4.882 2.714 1.00 0.00 O ATOM 51 CB GLN A 4 -7.019 7.370 3.078 1.00 0.00 C ATOM 52 CG GLN A 4 -7.007 8.757 3.723 1.00 0.00 C ATOM 53 CD GLN A 4 -7.120 9.826 2.634 1.00 0.00 C ATOM 54 OE1 GLN A 4 -6.208 10.602 2.431 1.00 0.00 O ATOM 55 NE2 GLN A 4 -8.210 9.900 1.921 1.00 0.00 N ATOM 0 H GLN A 4 -6.256 6.374 5.235 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.847 6.943 4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.005 6.972 3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.385 7.438 2.054 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.834 8.850 4.426 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.088 8.898 4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.976 9.248 2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.296 10.609 1.193 1.00 0.00 H new ATOM 64 N VAL A 5 -7.175 4.377 2.837 1.00 0.00 N ATOM 65 CA VAL A 5 -7.406 3.124 2.076 1.00 0.00 C ATOM 66 C VAL A 5 -8.385 2.271 2.856 1.00 0.00 C ATOM 67 O VAL A 5 -9.415 1.894 2.363 1.00 0.00 O ATOM 68 CB VAL A 5 -6.101 2.339 1.898 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.368 1.057 1.110 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.061 3.173 1.153 1.00 0.00 C ATOM 0 H VAL A 5 -6.210 4.549 3.120 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.796 3.374 1.089 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.716 2.094 2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.436 0.505 0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.087 0.441 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.771 1.310 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.144 2.594 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.446 3.440 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.849 4.081 1.718 1.00 0.00 H new ATOM 80 N HIS A 6 -8.085 1.971 4.079 1.00 0.00 N ATOM 81 CA HIS A 6 -9.027 1.153 4.872 1.00 0.00 C ATOM 82 C HIS A 6 -10.439 1.710 4.679 1.00 0.00 C ATOM 83 O HIS A 6 -11.411 0.979 4.600 1.00 0.00 O ATOM 84 CB HIS A 6 -8.633 1.251 6.342 1.00 0.00 C ATOM 85 CG HIS A 6 -7.364 0.476 6.568 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.354 -0.904 6.695 1.00 0.00 N ATOM 87 CD2 HIS A 6 -6.054 0.874 6.686 1.00 0.00 C ATOM 88 CE1 HIS A 6 -6.078 -1.285 6.876 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.244 -0.241 6.879 1.00 0.00 N ATOM 0 H HIS A 6 -7.233 2.255 4.562 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.998 0.111 4.552 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.491 2.294 6.624 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.431 0.857 6.971 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.167 -1.519 6.658 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.706 1.895 6.637 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.765 -2.311 7.004 1.00 0.00 H new ATOM 97 N GLU A 7 -10.546 3.009 4.592 1.00 0.00 N ATOM 98 CA GLU A 7 -11.877 3.655 4.410 1.00 0.00 C ATOM 99 C GLU A 7 -12.518 3.218 3.092 1.00 0.00 C ATOM 100 O GLU A 7 -13.544 2.579 3.084 1.00 0.00 O ATOM 101 CB GLU A 7 -11.708 5.175 4.411 1.00 0.00 C ATOM 102 CG GLU A 7 -12.110 5.731 5.779 1.00 0.00 C ATOM 103 CD GLU A 7 -12.452 7.216 5.645 1.00 0.00 C ATOM 104 OE1 GLU A 7 -11.882 7.859 4.777 1.00 0.00 O ATOM 105 OE2 GLU A 7 -13.277 7.685 6.411 1.00 0.00 O ATOM 0 H GLU A 7 -9.759 3.656 4.640 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.526 3.350 5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.673 5.437 4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.324 5.621 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.968 5.183 6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.296 5.597 6.491 1.00 0.00 H new ATOM 112 N ILE A 8 -11.940 3.575 1.977 1.00 0.00 N ATOM 113 CA ILE A 8 -12.548 3.190 0.669 1.00 0.00 C ATOM 114 C ILE A 8 -12.487 1.673 0.473 1.00 0.00 C ATOM 115 O ILE A 8 -13.462 1.043 0.125 1.00 0.00 O ATOM 116 CB ILE A 8 -11.780 3.873 -0.464 1.00 0.00 C ATOM 117 CG1 ILE A 8 -10.282 3.565 -0.340 1.00 0.00 C ATOM 118 CG2 ILE A 8 -11.992 5.385 -0.386 1.00 0.00 C ATOM 119 CD1 ILE A 8 -9.926 2.332 -1.180 1.00 0.00 C ATOM 0 H ILE A 8 -11.077 4.114 1.914 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.591 3.505 0.661 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.147 3.499 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.698 4.423 -0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.024 3.390 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.445 5.871 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.054 5.609 -0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.628 5.754 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.861 2.122 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.498 1.474 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.166 2.523 -2.226 1.00 0.00 H new ATOM 131 N GLY A 9 -11.344 1.093 0.670 1.00 0.00 N ATOM 132 CA GLY A 9 -11.190 -0.370 0.478 1.00 0.00 C ATOM 133 C GLY A 9 -12.332 -1.108 1.173 1.00 0.00 C ATOM 134 O GLY A 9 -12.999 -1.931 0.582 1.00 0.00 O ATOM 0 H GLY A 9 -10.495 1.578 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.186 -0.608 -0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.233 -0.700 0.882 1.00 0.00 H new ATOM 138 N ILE A 10 -12.565 -0.835 2.427 1.00 0.00 N ATOM 139 CA ILE A 10 -13.666 -1.552 3.132 1.00 0.00 C ATOM 140 C ILE A 10 -15.025 -1.069 2.604 1.00 0.00 C ATOM 141 O ILE A 10 -15.913 -1.854 2.336 1.00 0.00 O ATOM 142 CB ILE A 10 -13.539 -1.304 4.647 1.00 0.00 C ATOM 143 CG1 ILE A 10 -12.977 -2.565 5.286 1.00 0.00 C ATOM 144 CG2 ILE A 10 -14.900 -0.984 5.283 1.00 0.00 C ATOM 145 CD1 ILE A 10 -13.904 -3.734 4.956 1.00 0.00 C ATOM 0 H ILE A 10 -12.050 -0.157 2.988 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.594 -2.623 2.945 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.883 -0.449 4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.972 -2.762 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.897 -2.439 6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.771 -0.815 6.352 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.316 -0.088 4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.580 -1.821 5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.514 -4.646 5.408 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.900 -3.531 5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.960 -3.860 3.875 1.00 0.00 H new ATOM 157 N LYS A 11 -15.192 0.213 2.472 1.00 0.00 N ATOM 158 CA LYS A 11 -16.490 0.760 1.984 1.00 0.00 C ATOM 159 C LYS A 11 -16.728 0.347 0.531 1.00 0.00 C ATOM 160 O LYS A 11 -17.787 0.569 -0.021 1.00 0.00 O ATOM 161 CB LYS A 11 -16.445 2.284 2.065 1.00 0.00 C ATOM 162 CG LYS A 11 -17.314 2.764 3.228 1.00 0.00 C ATOM 163 CD LYS A 11 -18.755 2.953 2.748 1.00 0.00 C ATOM 164 CE LYS A 11 -19.523 3.806 3.758 1.00 0.00 C ATOM 165 NZ LYS A 11 -19.660 5.194 3.234 1.00 0.00 N ATOM 0 H LYS A 11 -14.481 0.914 2.682 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.298 0.368 2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.417 2.620 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.799 2.718 1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.283 2.039 4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.925 3.703 3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.763 3.434 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.240 1.984 2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -20.508 3.375 3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.999 3.817 4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.182 5.774 3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.716 5.603 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.178 5.175 2.332 1.00 0.00 H new ATOM 179 N ARG A 12 -15.752 -0.241 -0.096 1.00 0.00 N ATOM 180 CA ARG A 12 -15.926 -0.652 -1.518 1.00 0.00 C ATOM 181 C ARG A 12 -15.634 -2.144 -1.660 1.00 0.00 C ATOM 182 O ARG A 12 -15.532 -2.664 -2.754 1.00 0.00 O ATOM 183 CB ARG A 12 -14.962 0.141 -2.403 1.00 0.00 C ATOM 184 CG ARG A 12 -15.740 1.205 -3.179 1.00 0.00 C ATOM 185 CD ARG A 12 -16.154 0.644 -4.541 1.00 0.00 C ATOM 186 NE ARG A 12 -17.511 1.144 -4.895 1.00 0.00 N ATOM 187 CZ ARG A 12 -17.943 1.048 -6.124 1.00 0.00 C ATOM 188 NH1 ARG A 12 -17.568 0.045 -6.868 1.00 0.00 N ATOM 189 NH2 ARG A 12 -18.748 1.955 -6.606 1.00 0.00 N ATOM 0 H ARG A 12 -14.842 -0.456 0.311 1.00 0.00 H new ATOM 0 HA ARG A 12 -16.952 -0.452 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.193 0.612 -1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.452 -0.529 -3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -16.622 1.508 -2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.125 2.095 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.435 0.944 -5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.153 -0.446 -4.513 1.00 0.00 H new ATOM 0 HE ARG A 12 -18.104 1.562 -4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.938 -0.663 -6.490 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.904 -0.032 -7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -19.040 2.739 -6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -19.085 1.880 -7.566 1.00 0.00 H new ATOM 203 N ASN A 13 -15.494 -2.834 -0.561 1.00 0.00 N ATOM 204 CA ASN A 13 -15.207 -4.295 -0.621 1.00 0.00 C ATOM 205 C ASN A 13 -13.718 -4.521 -0.901 1.00 0.00 C ATOM 206 O ASN A 13 -13.226 -5.627 -0.793 1.00 0.00 O ATOM 207 CB ASN A 13 -16.040 -4.939 -1.731 1.00 0.00 C ATOM 208 CG ASN A 13 -16.344 -6.393 -1.363 1.00 0.00 C ATOM 209 OD1 ASN A 13 -15.734 -7.304 -1.885 1.00 0.00 O ATOM 210 ND2 ASN A 13 -17.268 -6.649 -0.479 1.00 0.00 N ATOM 0 H ASN A 13 -15.566 -2.447 0.380 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.466 -4.749 0.336 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.969 -4.386 -1.870 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.499 -4.897 -2.677 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.478 -7.614 -0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -17.780 -5.884 -0.041 1.00 0.00 H new ATOM 217 N MET A 14 -12.990 -3.495 -1.257 1.00 0.00 N ATOM 218 CA MET A 14 -11.545 -3.684 -1.532 1.00 0.00 C ATOM 219 C MET A 14 -10.785 -3.812 -0.212 1.00 0.00 C ATOM 220 O MET A 14 -10.444 -2.831 0.418 1.00 0.00 O ATOM 221 CB MET A 14 -11.021 -2.492 -2.326 1.00 0.00 C ATOM 222 CG MET A 14 -11.175 -2.782 -3.820 1.00 0.00 C ATOM 223 SD MET A 14 -11.956 -1.368 -4.635 1.00 0.00 S ATOM 224 CE MET A 14 -11.066 -0.077 -3.736 1.00 0.00 C ATOM 0 H MET A 14 -13.336 -2.542 -1.367 1.00 0.00 H new ATOM 0 HA MET A 14 -11.398 -4.594 -2.114 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.572 -1.590 -2.059 1.00 0.00 H new ATOM 0 HB3 MET A 14 -9.974 -2.309 -2.084 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.200 -2.978 -4.265 1.00 0.00 H new ATOM 0 HG3 MET A 14 -11.778 -3.678 -3.967 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.037 0.831 -4.338 1.00 0.00 H new ATOM 0 HE2 MET A 14 -11.575 0.127 -2.794 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.048 -0.410 -3.533 1.00 0.00 H new ATOM 234 N THR A 15 -10.525 -5.019 0.215 1.00 0.00 N ATOM 235 CA THR A 15 -9.796 -5.214 1.499 1.00 0.00 C ATOM 236 C THR A 15 -8.582 -4.289 1.547 1.00 0.00 C ATOM 237 O THR A 15 -8.053 -3.882 0.534 1.00 0.00 O ATOM 238 CB THR A 15 -9.339 -6.674 1.627 1.00 0.00 C ATOM 239 OG1 THR A 15 -9.702 -7.389 0.453 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.025 -7.301 2.842 1.00 0.00 C ATOM 0 H THR A 15 -10.786 -5.877 -0.271 1.00 0.00 H new ATOM 0 HA THR A 15 -10.464 -4.977 2.327 1.00 0.00 H new ATOM 0 HB THR A 15 -8.257 -6.715 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.644 -7.652 0.509 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.708 -8.339 2.943 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.750 -6.748 3.740 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.106 -7.263 2.709 1.00 0.00 H new ATOM 248 N VAL A 16 -8.140 -3.956 2.724 1.00 0.00 N ATOM 249 CA VAL A 16 -6.959 -3.062 2.859 1.00 0.00 C ATOM 250 C VAL A 16 -5.974 -3.708 3.825 1.00 0.00 C ATOM 251 O VAL A 16 -6.042 -3.495 5.019 1.00 0.00 O ATOM 252 CB VAL A 16 -7.403 -1.710 3.419 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.205 -0.760 3.483 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.483 -1.116 2.512 1.00 0.00 C ATOM 0 H VAL A 16 -8.549 -4.267 3.605 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.491 -2.911 1.886 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.805 -1.847 4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.525 0.202 3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.438 -1.185 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.798 -0.620 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.802 -0.152 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.081 -0.980 1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.337 -1.792 2.472 1.00 0.00 H new ATOM 264 N HIS A 17 -5.065 -4.504 3.337 1.00 0.00 N ATOM 265 CA HIS A 17 -4.104 -5.151 4.287 1.00 0.00 C ATOM 266 C HIS A 17 -2.682 -4.644 4.041 1.00 0.00 C ATOM 267 O HIS A 17 -1.943 -5.180 3.240 1.00 0.00 O ATOM 268 CB HIS A 17 -4.159 -6.674 4.137 1.00 0.00 C ATOM 269 CG HIS A 17 -5.501 -7.170 4.616 1.00 0.00 C ATOM 270 ND1 HIS A 17 -6.149 -6.598 5.701 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.332 -8.172 4.171 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.311 -7.253 5.871 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.473 -8.221 4.966 1.00 0.00 N ATOM 0 H HIS A 17 -4.942 -4.734 2.351 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.392 -4.887 5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.004 -6.955 3.095 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.359 -7.138 4.714 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.130 -8.822 3.332 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.027 -7.024 6.646 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.263 -8.859 4.877 1.00 0.00 H new ATOM 281 N PHE A 18 -2.301 -3.609 4.740 1.00 0.00 N ATOM 282 CA PHE A 18 -0.935 -3.039 4.576 1.00 0.00 C ATOM 283 C PHE A 18 0.083 -3.876 5.357 1.00 0.00 C ATOM 284 O PHE A 18 -0.028 -4.053 6.554 1.00 0.00 O ATOM 285 CB PHE A 18 -0.925 -1.611 5.119 1.00 0.00 C ATOM 286 CG PHE A 18 -1.622 -0.704 4.140 1.00 0.00 C ATOM 287 CD1 PHE A 18 -0.957 -0.296 2.983 1.00 0.00 C ATOM 288 CD2 PHE A 18 -2.930 -0.272 4.385 1.00 0.00 C ATOM 289 CE1 PHE A 18 -1.598 0.541 2.069 1.00 0.00 C ATOM 290 CE2 PHE A 18 -3.570 0.567 3.472 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.906 0.972 2.312 1.00 0.00 C ATOM 0 H PHE A 18 -2.885 -3.130 5.425 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.668 -3.045 3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.425 -1.574 6.087 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.100 -1.276 5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.053 -0.628 2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.444 -0.588 5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.084 0.856 1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.579 0.903 3.662 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.402 1.618 1.603 1.00 0.00 H new ATOM 301 N LYS A 19 1.083 -4.378 4.685 1.00 0.00 N ATOM 302 CA LYS A 19 2.121 -5.187 5.373 1.00 0.00 C ATOM 303 C LYS A 19 3.439 -5.025 4.616 1.00 0.00 C ATOM 304 O LYS A 19 3.575 -5.469 3.495 1.00 0.00 O ATOM 305 CB LYS A 19 1.705 -6.660 5.377 1.00 0.00 C ATOM 306 CG LYS A 19 0.381 -6.811 6.126 1.00 0.00 C ATOM 307 CD LYS A 19 0.242 -8.247 6.636 1.00 0.00 C ATOM 308 CE LYS A 19 -0.988 -8.348 7.542 1.00 0.00 C ATOM 309 NZ LYS A 19 -1.899 -9.407 7.025 1.00 0.00 N ATOM 0 H LYS A 19 1.224 -4.260 3.682 1.00 0.00 H new ATOM 0 HA LYS A 19 2.238 -4.851 6.403 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.601 -7.023 4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.476 -7.266 5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.342 -6.112 6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.452 -6.566 5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.146 -8.935 5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.137 -8.538 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.683 -8.581 8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.508 -7.391 7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.735 -9.476 7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.199 -9.166 6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.400 -10.319 7.015 1.00 0.00 H new ATOM 323 N VAL A 20 4.410 -4.388 5.210 1.00 0.00 N ATOM 324 CA VAL A 20 5.706 -4.200 4.501 1.00 0.00 C ATOM 325 C VAL A 20 6.507 -5.496 4.572 1.00 0.00 C ATOM 326 O VAL A 20 6.790 -6.011 5.635 1.00 0.00 O ATOM 327 CB VAL A 20 6.480 -3.051 5.145 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.875 -2.963 4.523 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.724 -1.741 4.895 1.00 0.00 C ATOM 0 H VAL A 20 4.363 -3.992 6.149 1.00 0.00 H new ATOM 0 HA VAL A 20 5.527 -3.952 3.455 1.00 0.00 H new ATOM 0 HB VAL A 20 6.575 -3.224 6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.427 -2.143 4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.408 -3.899 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.785 -2.784 3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.268 -0.914 5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.637 -1.570 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.728 -1.806 5.334 1.00 0.00 H new ATOM 339 N LEU A 21 6.842 -6.040 3.436 1.00 0.00 N ATOM 340 CA LEU A 21 7.591 -7.324 3.415 1.00 0.00 C ATOM 341 C LEU A 21 8.982 -7.132 2.807 1.00 0.00 C ATOM 342 O LEU A 21 9.687 -8.088 2.551 1.00 0.00 O ATOM 343 CB LEU A 21 6.806 -8.335 2.582 1.00 0.00 C ATOM 344 CG LEU A 21 6.121 -7.627 1.420 1.00 0.00 C ATOM 345 CD1 LEU A 21 6.005 -8.580 0.229 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.734 -7.210 1.878 1.00 0.00 C ATOM 0 H LEU A 21 6.628 -5.648 2.519 1.00 0.00 H new ATOM 0 HA LEU A 21 7.711 -7.684 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.476 -9.107 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.063 -8.834 3.204 1.00 0.00 H new ATOM 0 HG LEU A 21 6.699 -6.755 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.514 -8.069 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.000 -8.899 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.417 -9.452 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.220 -6.700 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.166 -8.094 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.820 -6.537 2.731 1.00 0.00 H new ATOM 358 N ARG A 22 9.390 -5.917 2.569 1.00 0.00 N ATOM 359 CA ARG A 22 10.744 -5.705 1.976 1.00 0.00 C ATOM 360 C ARG A 22 11.298 -4.346 2.406 1.00 0.00 C ATOM 361 O ARG A 22 11.238 -3.381 1.675 1.00 0.00 O ATOM 362 CB ARG A 22 10.647 -5.756 0.450 1.00 0.00 C ATOM 363 CG ARG A 22 11.408 -6.978 -0.068 1.00 0.00 C ATOM 364 CD ARG A 22 10.420 -7.972 -0.683 1.00 0.00 C ATOM 365 NE ARG A 22 10.239 -7.660 -2.129 1.00 0.00 N ATOM 366 CZ ARG A 22 9.687 -8.538 -2.921 1.00 0.00 C ATOM 367 NH1 ARG A 22 8.422 -8.829 -2.794 1.00 0.00 N ATOM 368 NH2 ARG A 22 10.402 -9.124 -3.843 1.00 0.00 N ATOM 0 H ARG A 22 8.854 -5.070 2.756 1.00 0.00 H new ATOM 0 HA ARG A 22 11.413 -6.490 2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.602 -5.807 0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.062 -4.845 0.018 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.144 -6.673 -0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.956 -7.451 0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.790 -8.990 -0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.462 -7.917 -0.165 1.00 0.00 H new ATOM 0 HE ARG A 22 10.546 -6.761 -2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.863 -8.370 -2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.992 -9.515 -3.414 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.391 -8.895 -3.944 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.972 -9.810 -4.463 1.00 0.00 H new ATOM 382 N GLU A 23 11.844 -4.264 3.586 1.00 0.00 N ATOM 383 CA GLU A 23 12.405 -2.967 4.056 1.00 0.00 C ATOM 384 C GLU A 23 13.737 -2.695 3.353 1.00 0.00 C ATOM 385 O GLU A 23 14.781 -3.125 3.801 1.00 0.00 O ATOM 386 CB GLU A 23 12.633 -3.030 5.567 1.00 0.00 C ATOM 387 CG GLU A 23 11.327 -3.408 6.266 1.00 0.00 C ATOM 388 CD GLU A 23 11.469 -4.792 6.903 1.00 0.00 C ATOM 389 OE1 GLU A 23 12.152 -5.621 6.324 1.00 0.00 O ATOM 390 OE2 GLU A 23 10.892 -4.998 7.958 1.00 0.00 O ATOM 0 H GLU A 23 11.926 -5.038 4.245 1.00 0.00 H new ATOM 0 HA GLU A 23 11.704 -2.166 3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.406 -3.762 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.987 -2.066 5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.084 -2.668 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.506 -3.409 5.549 1.00 0.00 H new ATOM 397 N GLU A 24 13.713 -1.978 2.260 1.00 0.00 N ATOM 398 CA GLU A 24 14.982 -1.673 1.537 1.00 0.00 C ATOM 399 C GLU A 24 15.434 -2.895 0.734 1.00 0.00 C ATOM 400 O GLU A 24 14.647 -3.753 0.386 1.00 0.00 O ATOM 401 CB GLU A 24 16.068 -1.300 2.550 1.00 0.00 C ATOM 402 CG GLU A 24 16.946 -0.186 1.975 1.00 0.00 C ATOM 403 CD GLU A 24 17.472 0.690 3.113 1.00 0.00 C ATOM 404 OE1 GLU A 24 16.685 1.042 3.976 1.00 0.00 O ATOM 405 OE2 GLU A 24 18.653 0.995 3.102 1.00 0.00 O ATOM 0 H GLU A 24 12.869 -1.591 1.837 1.00 0.00 H new ATOM 0 HA GLU A 24 14.813 -0.840 0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.611 -0.971 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.677 -2.173 2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.779 -0.616 1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.371 0.418 1.273 1.00 0.00 H new ATOM 412 N GLY A 25 16.702 -2.973 0.435 1.00 0.00 N ATOM 413 CA GLY A 25 17.227 -4.127 -0.349 1.00 0.00 C ATOM 414 C GLY A 25 18.722 -3.913 -0.602 1.00 0.00 C ATOM 415 O GLY A 25 19.394 -3.271 0.180 1.00 0.00 O ATOM 0 H GLY A 25 17.402 -2.281 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.066 -5.057 0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.693 -4.215 -1.295 1.00 0.00 H new ATOM 419 N PRO A 26 19.191 -4.437 -1.702 1.00 0.00 N ATOM 420 CA PRO A 26 20.602 -4.294 -2.098 1.00 0.00 C ATOM 421 C PRO A 26 21.015 -2.818 -2.121 1.00 0.00 C ATOM 422 O PRO A 26 21.805 -2.370 -1.314 1.00 0.00 O ATOM 423 CB PRO A 26 20.670 -4.892 -3.508 1.00 0.00 C ATOM 424 CG PRO A 26 19.284 -5.509 -3.828 1.00 0.00 C ATOM 425 CD PRO A 26 18.360 -5.219 -2.637 1.00 0.00 C ATOM 0 HA PRO A 26 21.276 -4.792 -1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 26 20.923 -4.123 -4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 26 21.449 -5.653 -3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 26 18.876 -5.079 -4.743 1.00 0.00 H new ATOM 0 HG3 PRO A 26 19.372 -6.583 -3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 26 17.478 -4.659 -2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 26 18.006 -6.141 -2.176 1.00 0.00 H new ATOM 433 N ALA A 27 20.498 -2.065 -3.052 1.00 0.00 N ATOM 434 CA ALA A 27 20.869 -0.620 -3.147 1.00 0.00 C ATOM 435 C ALA A 27 19.882 0.097 -4.064 1.00 0.00 C ATOM 436 O ALA A 27 19.691 -0.287 -5.201 1.00 0.00 O ATOM 437 CB ALA A 27 22.263 -0.514 -3.742 1.00 0.00 C ATOM 0 H ALA A 27 19.832 -2.387 -3.755 1.00 0.00 H new ATOM 0 HA ALA A 27 20.845 -0.165 -2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 27 22.548 0.535 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 27 22.973 -1.037 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 27 22.270 -0.964 -4.735 1.00 0.00 H new ATOM 443 N HIS A 28 19.216 1.114 -3.577 1.00 0.00 N ATOM 444 CA HIS A 28 18.203 1.819 -4.431 1.00 0.00 C ATOM 445 C HIS A 28 17.511 2.909 -3.608 1.00 0.00 C ATOM 446 O HIS A 28 16.354 3.210 -3.819 1.00 0.00 O ATOM 447 CB HIS A 28 17.138 0.807 -4.908 1.00 0.00 C ATOM 448 CG HIS A 28 17.261 -0.452 -4.093 1.00 0.00 C ATOM 449 ND1 HIS A 28 17.416 -0.403 -2.719 1.00 0.00 N ATOM 450 CD2 HIS A 28 17.395 -1.772 -4.437 1.00 0.00 C ATOM 451 CE1 HIS A 28 17.647 -1.652 -2.293 1.00 0.00 C ATOM 452 NE2 HIS A 28 17.638 -2.527 -3.298 1.00 0.00 N ATOM 0 H HIS A 28 19.326 1.486 -2.634 1.00 0.00 H new ATOM 0 HA HIS A 28 18.705 2.264 -5.290 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.140 1.231 -4.798 1.00 0.00 H new ATOM 0 HB3 HIS A 28 17.276 0.586 -5.966 1.00 0.00 H new ATOM 0 HD1 HIS A 28 17.364 0.432 -2.136 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.323 -2.164 -5.441 1.00 0.00 H new ATOM 0 HE1 HIS A 28 17.820 -1.917 -1.260 1.00 0.00 H new ATOM 460 N MET A 29 18.200 3.494 -2.664 1.00 0.00 N ATOM 461 CA MET A 29 17.563 4.546 -1.829 1.00 0.00 C ATOM 462 C MET A 29 16.647 3.871 -0.813 1.00 0.00 C ATOM 463 O MET A 29 15.627 3.314 -1.164 1.00 0.00 O ATOM 464 CB MET A 29 16.745 5.488 -2.714 1.00 0.00 C ATOM 465 CG MET A 29 16.848 6.916 -2.173 1.00 0.00 C ATOM 466 SD MET A 29 18.521 7.547 -2.449 1.00 0.00 S ATOM 467 CE MET A 29 18.550 8.724 -1.075 1.00 0.00 C ATOM 0 H MET A 29 19.173 3.288 -2.438 1.00 0.00 H new ATOM 0 HA MET A 29 18.330 5.126 -1.315 1.00 0.00 H new ATOM 0 HB2 MET A 29 17.111 5.449 -3.740 1.00 0.00 H new ATOM 0 HB3 MET A 29 15.703 5.170 -2.735 1.00 0.00 H new ATOM 0 HG2 MET A 29 16.120 7.557 -2.669 1.00 0.00 H new ATOM 0 HG3 MET A 29 16.613 6.931 -1.109 1.00 0.00 H new ATOM 0 HE1 MET A 29 19.511 9.237 -1.056 1.00 0.00 H new ATOM 0 HE2 MET A 29 17.751 9.454 -1.205 1.00 0.00 H new ATOM 0 HE3 MET A 29 18.405 8.190 -0.136 1.00 0.00 H new ATOM 477 N LYS A 30 17.023 3.908 0.439 1.00 0.00 N ATOM 478 CA LYS A 30 16.209 3.266 1.514 1.00 0.00 C ATOM 479 C LYS A 30 14.721 3.291 1.154 1.00 0.00 C ATOM 480 O LYS A 30 14.015 4.238 1.442 1.00 0.00 O ATOM 481 CB LYS A 30 16.431 4.029 2.819 1.00 0.00 C ATOM 482 CG LYS A 30 17.929 4.267 3.022 1.00 0.00 C ATOM 483 CD LYS A 30 18.239 5.754 2.835 1.00 0.00 C ATOM 484 CE LYS A 30 18.040 6.487 4.162 1.00 0.00 C ATOM 485 NZ LYS A 30 17.709 7.916 3.897 1.00 0.00 N ATOM 0 H LYS A 30 17.874 4.364 0.767 1.00 0.00 H new ATOM 0 HA LYS A 30 16.518 2.227 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.901 4.981 2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.025 3.463 3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.227 3.945 4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.502 3.673 2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.264 5.882 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 30 17.588 6.179 2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.239 6.017 4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 30 18.944 6.418 4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.574 8.414 4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 18.487 8.361 3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.835 7.972 3.337 1.00 0.00 H new ATOM 499 N ASN A 31 14.241 2.252 0.523 1.00 0.00 N ATOM 500 CA ASN A 31 12.802 2.205 0.139 1.00 0.00 C ATOM 501 C ASN A 31 12.099 1.096 0.918 1.00 0.00 C ATOM 502 O ASN A 31 12.685 0.444 1.758 1.00 0.00 O ATOM 503 CB ASN A 31 12.666 1.914 -1.359 1.00 0.00 C ATOM 504 CG ASN A 31 13.900 1.160 -1.860 1.00 0.00 C ATOM 505 OD1 ASN A 31 14.709 1.707 -2.583 1.00 0.00 O ATOM 506 ND2 ASN A 31 14.079 -0.084 -1.507 1.00 0.00 N ATOM 0 H ASN A 31 14.786 1.432 0.257 1.00 0.00 H new ATOM 0 HA ASN A 31 12.348 3.169 0.368 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.769 1.323 -1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 31 12.551 2.847 -1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.897 -0.595 -1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.401 -0.545 -0.900 1.00 0.00 H new ATOM 513 N PHE A 32 10.844 0.878 0.640 1.00 0.00 N ATOM 514 CA PHE A 32 10.094 -0.191 1.356 1.00 0.00 C ATOM 515 C PHE A 32 8.992 -0.738 0.445 1.00 0.00 C ATOM 516 O PHE A 32 8.158 0.003 -0.044 1.00 0.00 O ATOM 517 CB PHE A 32 9.463 0.392 2.622 1.00 0.00 C ATOM 518 CG PHE A 32 10.533 0.625 3.662 1.00 0.00 C ATOM 519 CD1 PHE A 32 11.379 1.737 3.559 1.00 0.00 C ATOM 520 CD2 PHE A 32 10.680 -0.270 4.728 1.00 0.00 C ATOM 521 CE1 PHE A 32 12.371 1.953 4.523 1.00 0.00 C ATOM 522 CE2 PHE A 32 11.673 -0.053 5.692 1.00 0.00 C ATOM 523 CZ PHE A 32 12.518 1.058 5.589 1.00 0.00 C ATOM 0 H PHE A 32 10.304 1.395 -0.054 1.00 0.00 H new ATOM 0 HA PHE A 32 10.777 -0.997 1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.958 1.329 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.707 -0.290 3.011 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.266 2.427 2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.028 -1.127 4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.023 2.810 4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.787 -0.743 6.515 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.284 1.225 6.332 1.00 0.00 H new ATOM 533 N ILE A 33 8.959 -2.030 0.232 1.00 0.00 N ATOM 534 CA ILE A 33 7.889 -2.609 -0.621 1.00 0.00 C ATOM 535 C ILE A 33 6.722 -2.952 0.288 1.00 0.00 C ATOM 536 O ILE A 33 6.672 -4.009 0.886 1.00 0.00 O ATOM 537 CB ILE A 33 8.377 -3.876 -1.324 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.866 -3.746 -1.665 1.00 0.00 C ATOM 539 CG2 ILE A 33 7.573 -4.085 -2.609 1.00 0.00 C ATOM 540 CD1 ILE A 33 10.041 -2.790 -2.845 1.00 0.00 C ATOM 0 H ILE A 33 9.626 -2.702 0.612 1.00 0.00 H new ATOM 0 HA ILE A 33 7.597 -1.893 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 33 8.238 -4.730 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.416 -3.376 -0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.279 -4.724 -1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.919 -4.988 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.516 -4.189 -2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.710 -3.227 -3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.100 -2.699 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.504 -3.178 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.643 -1.810 -2.581 1.00 0.00 H new ATOM 552 N THR A 34 5.799 -2.055 0.419 1.00 0.00 N ATOM 553 CA THR A 34 4.647 -2.309 1.313 1.00 0.00 C ATOM 554 C THR A 34 3.543 -3.023 0.543 1.00 0.00 C ATOM 555 O THR A 34 2.932 -2.471 -0.352 1.00 0.00 O ATOM 556 CB THR A 34 4.126 -0.978 1.852 1.00 0.00 C ATOM 557 OG1 THR A 34 5.059 -0.447 2.782 1.00 0.00 O ATOM 558 CG2 THR A 34 2.782 -1.201 2.544 1.00 0.00 C ATOM 0 H THR A 34 5.791 -1.152 -0.056 1.00 0.00 H new ATOM 0 HA THR A 34 4.963 -2.940 2.144 1.00 0.00 H new ATOM 0 HB THR A 34 3.997 -0.276 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.970 -0.642 2.479 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.409 -0.252 2.929 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.068 -1.608 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.909 -1.902 3.369 1.00 0.00 H new ATOM 566 N ALA A 35 3.286 -4.253 0.892 1.00 0.00 N ATOM 567 CA ALA A 35 2.220 -5.020 0.196 1.00 0.00 C ATOM 568 C ALA A 35 0.864 -4.603 0.755 1.00 0.00 C ATOM 569 O ALA A 35 0.567 -4.827 1.907 1.00 0.00 O ATOM 570 CB ALA A 35 2.441 -6.503 0.438 1.00 0.00 C ATOM 0 H ALA A 35 3.771 -4.760 1.632 1.00 0.00 H new ATOM 0 HA ALA A 35 2.249 -4.819 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.663 -7.074 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.417 -6.794 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.402 -6.707 1.508 1.00 0.00 H new ATOM 576 N CYS A 36 0.032 -4.007 -0.047 1.00 0.00 N ATOM 577 CA CYS A 36 -1.302 -3.583 0.466 1.00 0.00 C ATOM 578 C CYS A 36 -2.360 -4.416 -0.248 1.00 0.00 C ATOM 579 O CYS A 36 -2.527 -4.319 -1.443 1.00 0.00 O ATOM 580 CB CYS A 36 -1.539 -2.082 0.206 1.00 0.00 C ATOM 581 SG CYS A 36 -0.164 -1.360 -0.737 1.00 0.00 S ATOM 0 H CYS A 36 0.213 -3.795 -1.028 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.354 -3.740 1.543 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.471 -1.947 -0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.649 -1.558 1.155 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.424 -1.433 -2.009 1.00 0.00 H new ATOM 587 N ILE A 37 -3.059 -5.255 0.465 1.00 0.00 N ATOM 588 CA ILE A 37 -4.068 -6.117 -0.204 1.00 0.00 C ATOM 589 C ILE A 37 -5.318 -5.316 -0.535 1.00 0.00 C ATOM 590 O ILE A 37 -5.861 -4.615 0.309 1.00 0.00 O ATOM 591 CB ILE A 37 -4.425 -7.310 0.710 1.00 0.00 C ATOM 592 CG1 ILE A 37 -4.579 -8.574 -0.144 1.00 0.00 C ATOM 593 CG2 ILE A 37 -5.739 -7.069 1.483 1.00 0.00 C ATOM 594 CD1 ILE A 37 -5.975 -8.615 -0.767 1.00 0.00 C ATOM 0 H ILE A 37 -2.975 -5.379 1.474 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.646 -6.495 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.619 -7.426 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.821 -8.589 -0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.419 -9.460 0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.954 -7.932 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.637 -6.180 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.556 -6.924 0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.077 -9.516 -1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.726 -8.622 0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.118 -7.737 -1.396 1.00 0.00 H new ATOM 606 N VAL A 38 -5.775 -5.463 -1.755 1.00 0.00 N ATOM 607 CA VAL A 38 -7.006 -4.778 -2.225 1.00 0.00 C ATOM 608 C VAL A 38 -8.010 -5.865 -2.645 1.00 0.00 C ATOM 609 O VAL A 38 -7.626 -6.922 -3.120 1.00 0.00 O ATOM 610 CB VAL A 38 -6.648 -3.849 -3.408 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.370 -4.273 -4.696 1.00 0.00 C ATOM 612 CG2 VAL A 38 -7.049 -2.416 -3.057 1.00 0.00 C ATOM 0 H VAL A 38 -5.327 -6.048 -2.460 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.449 -4.163 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.574 -3.916 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.095 -3.598 -5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.080 -5.291 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.448 -4.231 -4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.800 -1.755 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.122 -2.374 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.512 -2.096 -2.164 1.00 0.00 H new ATOM 622 N GLY A 39 -9.281 -5.620 -2.468 1.00 0.00 N ATOM 623 CA GLY A 39 -10.307 -6.645 -2.841 1.00 0.00 C ATOM 624 C GLY A 39 -10.034 -7.189 -4.242 1.00 0.00 C ATOM 625 O GLY A 39 -10.548 -6.686 -5.220 1.00 0.00 O ATOM 0 H GLY A 39 -9.656 -4.754 -2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.294 -7.461 -2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.302 -6.202 -2.804 1.00 0.00 H new ATOM 629 N SER A 40 -9.239 -8.224 -4.336 1.00 0.00 N ATOM 630 CA SER A 40 -8.923 -8.826 -5.662 1.00 0.00 C ATOM 631 C SER A 40 -7.584 -9.555 -5.574 1.00 0.00 C ATOM 632 O SER A 40 -7.455 -10.694 -5.977 1.00 0.00 O ATOM 633 CB SER A 40 -8.824 -7.730 -6.724 1.00 0.00 C ATOM 634 OG SER A 40 -10.034 -7.689 -7.471 1.00 0.00 O ATOM 0 H SER A 40 -8.792 -8.681 -3.541 1.00 0.00 H new ATOM 0 HA SER A 40 -9.714 -9.524 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.642 -6.765 -6.251 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.981 -7.925 -7.386 1.00 0.00 H new ATOM 0 HG SER A 40 -10.738 -7.275 -6.930 1.00 0.00 H new ATOM 640 N ILE A 41 -6.578 -8.898 -5.063 1.00 0.00 N ATOM 641 CA ILE A 41 -5.244 -9.533 -4.961 1.00 0.00 C ATOM 642 C ILE A 41 -4.336 -8.634 -4.125 1.00 0.00 C ATOM 643 O ILE A 41 -4.792 -7.711 -3.482 1.00 0.00 O ATOM 644 CB ILE A 41 -4.625 -9.699 -6.353 1.00 0.00 C ATOM 645 CG1 ILE A 41 -5.322 -8.811 -7.400 1.00 0.00 C ATOM 646 CG2 ILE A 41 -4.727 -11.161 -6.789 1.00 0.00 C ATOM 647 CD1 ILE A 41 -4.349 -7.728 -7.867 1.00 0.00 C ATOM 0 H ILE A 41 -6.629 -7.942 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.350 -10.514 -4.497 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.581 -9.392 -6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.648 -9.414 -8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.215 -8.355 -6.972 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.286 -11.277 -7.779 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.193 -11.791 -6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.775 -11.459 -6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.837 -7.096 -8.609 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.045 -7.120 -7.015 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.470 -8.195 -8.311 1.00 0.00 H new ATOM 659 N VAL A 42 -3.052 -8.877 -4.136 1.00 0.00 N ATOM 660 CA VAL A 42 -2.141 -8.003 -3.343 1.00 0.00 C ATOM 661 C VAL A 42 -1.551 -6.934 -4.250 1.00 0.00 C ATOM 662 O VAL A 42 -1.080 -7.203 -5.338 1.00 0.00 O ATOM 663 CB VAL A 42 -0.985 -8.796 -2.726 1.00 0.00 C ATOM 664 CG1 VAL A 42 -0.888 -8.466 -1.238 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.208 -10.300 -2.908 1.00 0.00 C ATOM 0 H VAL A 42 -2.600 -9.632 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.729 -7.559 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.057 -8.521 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.067 -9.028 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.707 -7.398 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.821 -8.736 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.377 -10.847 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.137 -10.592 -2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.269 -10.533 -3.971 1.00 0.00 H new ATOM 675 N THR A 43 -1.562 -5.728 -3.789 1.00 0.00 N ATOM 676 CA THR A 43 -0.994 -4.608 -4.574 1.00 0.00 C ATOM 677 C THR A 43 0.010 -3.885 -3.674 1.00 0.00 C ATOM 678 O THR A 43 -0.341 -3.043 -2.877 1.00 0.00 O ATOM 679 CB THR A 43 -2.137 -3.673 -4.997 1.00 0.00 C ATOM 680 OG1 THR A 43 -2.863 -4.276 -6.059 1.00 0.00 O ATOM 681 CG2 THR A 43 -1.589 -2.322 -5.465 1.00 0.00 C ATOM 0 H THR A 43 -1.948 -5.462 -2.883 1.00 0.00 H new ATOM 0 HA THR A 43 -0.490 -4.956 -5.476 1.00 0.00 H new ATOM 0 HB THR A 43 -2.789 -3.507 -4.139 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.595 -3.684 -6.332 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.416 -1.676 -5.760 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.034 -1.853 -4.652 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.926 -2.474 -6.317 1.00 0.00 H new ATOM 689 N GLU A 44 1.258 -4.245 -3.755 1.00 0.00 N ATOM 690 CA GLU A 44 2.267 -3.597 -2.872 1.00 0.00 C ATOM 691 C GLU A 44 2.682 -2.245 -3.435 1.00 0.00 C ATOM 692 O GLU A 44 2.132 -1.760 -4.403 1.00 0.00 O ATOM 693 CB GLU A 44 3.503 -4.487 -2.749 1.00 0.00 C ATOM 694 CG GLU A 44 4.129 -4.692 -4.130 1.00 0.00 C ATOM 695 CD GLU A 44 4.110 -6.181 -4.481 1.00 0.00 C ATOM 696 OE1 GLU A 44 3.051 -6.779 -4.388 1.00 0.00 O ATOM 697 OE2 GLU A 44 5.156 -6.698 -4.838 1.00 0.00 O ATOM 0 H GLU A 44 1.623 -4.955 -4.390 1.00 0.00 H new ATOM 0 HA GLU A 44 1.817 -3.453 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.227 -4.029 -2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.229 -5.449 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.578 -4.124 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.153 -4.319 -4.136 1.00 0.00 H new ATOM 704 N GLY A 45 3.657 -1.635 -2.823 1.00 0.00 N ATOM 705 CA GLY A 45 4.126 -0.304 -3.306 1.00 0.00 C ATOM 706 C GLY A 45 5.504 -0.015 -2.717 1.00 0.00 C ATOM 707 O GLY A 45 5.653 0.153 -1.526 1.00 0.00 O ATOM 0 H GLY A 45 4.151 -1.999 -2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.173 -0.295 -4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.421 0.473 -3.011 1.00 0.00 H new ATOM 711 N GLU A 46 6.513 0.039 -3.537 1.00 0.00 N ATOM 712 CA GLU A 46 7.877 0.298 -3.011 1.00 0.00 C ATOM 713 C GLU A 46 8.053 1.784 -2.709 1.00 0.00 C ATOM 714 O GLU A 46 8.609 2.529 -3.491 1.00 0.00 O ATOM 715 CB GLU A 46 8.899 -0.141 -4.054 1.00 0.00 C ATOM 716 CG GLU A 46 8.538 0.465 -5.412 1.00 0.00 C ATOM 717 CD GLU A 46 7.937 -0.616 -6.311 1.00 0.00 C ATOM 718 OE1 GLU A 46 8.115 -1.783 -6.004 1.00 0.00 O ATOM 719 OE2 GLU A 46 7.307 -0.258 -7.293 1.00 0.00 O ATOM 0 H GLU A 46 6.452 -0.085 -4.548 1.00 0.00 H new ATOM 0 HA GLU A 46 8.023 -0.263 -2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.898 0.178 -3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.919 -1.229 -4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.826 1.280 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.426 0.890 -5.880 1.00 0.00 H new ATOM 726 N GLY A 47 7.588 2.216 -1.569 1.00 0.00 N ATOM 727 CA GLY A 47 7.735 3.653 -1.200 1.00 0.00 C ATOM 728 C GLY A 47 9.218 3.971 -1.003 1.00 0.00 C ATOM 729 O GLY A 47 10.070 3.119 -1.168 1.00 0.00 O ATOM 0 H GLY A 47 7.113 1.637 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.315 4.287 -1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.180 3.865 -0.286 1.00 0.00 H new ATOM 733 N ASN A 48 9.538 5.186 -0.653 1.00 0.00 N ATOM 734 CA ASN A 48 10.969 5.548 -0.449 1.00 0.00 C ATOM 735 C ASN A 48 11.138 6.235 0.908 1.00 0.00 C ATOM 736 O ASN A 48 10.762 7.377 1.088 1.00 0.00 O ATOM 737 CB ASN A 48 11.418 6.498 -1.561 1.00 0.00 C ATOM 738 CG ASN A 48 12.852 6.162 -1.973 1.00 0.00 C ATOM 739 OD1 ASN A 48 13.371 5.123 -1.616 1.00 0.00 O ATOM 740 ND2 ASN A 48 13.518 7.002 -2.716 1.00 0.00 N ATOM 0 H ASN A 48 8.872 5.943 -0.500 1.00 0.00 H new ATOM 0 HA ASN A 48 11.577 4.644 -0.474 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.752 6.410 -2.419 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.360 7.531 -1.217 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.474 6.787 -2.997 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.082 7.874 -3.016 1.00 0.00 H new ATOM 747 N GLY A 49 11.701 5.550 1.866 1.00 0.00 N ATOM 748 CA GLY A 49 11.896 6.167 3.210 1.00 0.00 C ATOM 749 C GLY A 49 11.372 5.221 4.291 1.00 0.00 C ATOM 750 O GLY A 49 10.518 4.392 4.045 1.00 0.00 O ATOM 0 H GLY A 49 12.034 4.590 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.953 6.375 3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.372 7.121 3.263 1.00 0.00 H new ATOM 754 N LYS A 50 11.876 5.339 5.490 1.00 0.00 N ATOM 755 CA LYS A 50 11.406 4.447 6.588 1.00 0.00 C ATOM 756 C LYS A 50 9.940 4.755 6.894 1.00 0.00 C ATOM 757 O LYS A 50 9.069 3.932 6.692 1.00 0.00 O ATOM 758 CB LYS A 50 12.250 4.690 7.840 1.00 0.00 C ATOM 759 CG LYS A 50 11.819 3.722 8.942 1.00 0.00 C ATOM 760 CD LYS A 50 12.696 2.469 8.893 1.00 0.00 C ATOM 761 CE LYS A 50 13.982 2.717 9.683 1.00 0.00 C ATOM 762 NZ LYS A 50 14.213 1.585 10.623 1.00 0.00 N ATOM 0 H LYS A 50 12.593 6.014 5.756 1.00 0.00 H new ATOM 0 HA LYS A 50 11.506 3.406 6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.307 4.551 7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.130 5.719 8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.906 4.202 9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.771 3.451 8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.158 1.618 9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.934 2.219 7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.827 2.816 9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.907 3.653 10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.087 1.753 11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.411 1.511 11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.302 0.700 10.085 1.00 0.00 H new ATOM 776 N LYS A 51 9.661 5.934 7.379 1.00 0.00 N ATOM 777 CA LYS A 51 8.251 6.296 7.693 1.00 0.00 C ATOM 778 C LYS A 51 7.543 6.714 6.404 1.00 0.00 C ATOM 779 O LYS A 51 7.304 7.882 6.165 1.00 0.00 O ATOM 780 CB LYS A 51 8.233 7.461 8.685 1.00 0.00 C ATOM 781 CG LYS A 51 9.180 8.559 8.197 1.00 0.00 C ATOM 782 CD LYS A 51 8.776 9.898 8.820 1.00 0.00 C ATOM 783 CE LYS A 51 9.821 10.314 9.858 1.00 0.00 C ATOM 784 NZ LYS A 51 11.134 10.523 9.185 1.00 0.00 N ATOM 0 H LYS A 51 10.349 6.662 7.571 1.00 0.00 H new ATOM 0 HA LYS A 51 7.740 5.439 8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.221 7.855 8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.537 7.116 9.673 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.207 8.315 8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.145 8.627 7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.693 10.661 8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.796 9.812 9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.507 11.230 10.359 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.912 9.546 10.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.634 11.315 9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.707 9.659 9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.978 10.741 8.180 1.00 0.00 H new ATOM 798 N VAL A 52 7.211 5.771 5.567 1.00 0.00 N ATOM 799 CA VAL A 52 6.526 6.115 4.292 1.00 0.00 C ATOM 800 C VAL A 52 5.854 4.862 3.727 1.00 0.00 C ATOM 801 O VAL A 52 4.757 4.918 3.214 1.00 0.00 O ATOM 802 CB VAL A 52 7.563 6.659 3.297 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.231 5.511 2.530 1.00 0.00 C ATOM 804 CG2 VAL A 52 6.872 7.599 2.306 1.00 0.00 C ATOM 0 H VAL A 52 7.385 4.776 5.712 1.00 0.00 H new ATOM 0 HA VAL A 52 5.765 6.876 4.467 1.00 0.00 H new ATOM 0 HB VAL A 52 8.329 7.201 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.962 5.917 1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.732 4.847 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.474 4.952 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.606 7.986 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.100 7.053 1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.418 8.429 2.848 1.00 0.00 H new ATOM 814 N SER A 53 6.526 3.743 3.816 1.00 0.00 N ATOM 815 CA SER A 53 5.968 2.457 3.288 1.00 0.00 C ATOM 816 C SER A 53 4.440 2.459 3.366 1.00 0.00 C ATOM 817 O SER A 53 3.758 2.486 2.361 1.00 0.00 O ATOM 818 CB SER A 53 6.513 1.293 4.116 1.00 0.00 C ATOM 819 OG SER A 53 7.430 1.790 5.080 1.00 0.00 O ATOM 0 H SER A 53 7.451 3.663 4.238 1.00 0.00 H new ATOM 0 HA SER A 53 6.266 2.348 2.245 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.695 0.770 4.611 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.007 0.570 3.467 1.00 0.00 H new ATOM 0 HG SER A 53 8.341 1.529 4.830 1.00 0.00 H new ATOM 825 N LYS A 54 3.900 2.432 4.548 1.00 0.00 N ATOM 826 CA LYS A 54 2.416 2.435 4.688 1.00 0.00 C ATOM 827 C LYS A 54 1.818 3.496 3.761 1.00 0.00 C ATOM 828 O LYS A 54 0.912 3.228 2.996 1.00 0.00 O ATOM 829 CB LYS A 54 2.044 2.755 6.138 1.00 0.00 C ATOM 830 CG LYS A 54 2.231 1.507 7.001 1.00 0.00 C ATOM 831 CD LYS A 54 0.867 0.875 7.286 1.00 0.00 C ATOM 832 CE LYS A 54 1.050 -0.360 8.169 1.00 0.00 C ATOM 833 NZ LYS A 54 -0.285 -0.870 8.591 1.00 0.00 N ATOM 0 H LYS A 54 4.419 2.408 5.425 1.00 0.00 H new ATOM 0 HA LYS A 54 2.022 1.455 4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.667 3.566 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.010 3.096 6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.876 0.792 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.725 1.769 7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.217 1.596 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.381 0.597 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.591 -1.133 7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.649 -0.109 9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.266 -1.093 9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.007 -0.144 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.515 -1.729 8.052 1.00 0.00 H new ATOM 847 N LYS A 55 2.321 4.699 3.821 1.00 0.00 N ATOM 848 CA LYS A 55 1.783 5.779 2.945 1.00 0.00 C ATOM 849 C LYS A 55 1.924 5.370 1.476 1.00 0.00 C ATOM 850 O LYS A 55 0.953 5.047 0.822 1.00 0.00 O ATOM 851 CB LYS A 55 2.568 7.071 3.193 1.00 0.00 C ATOM 852 CG LYS A 55 2.233 8.090 2.102 1.00 0.00 C ATOM 853 CD LYS A 55 2.705 9.479 2.539 1.00 0.00 C ATOM 854 CE LYS A 55 1.714 10.533 2.039 1.00 0.00 C ATOM 855 NZ LYS A 55 1.456 11.524 3.121 1.00 0.00 N ATOM 0 H LYS A 55 3.082 4.981 4.439 1.00 0.00 H new ATOM 0 HA LYS A 55 0.730 5.941 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.320 7.477 4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.638 6.864 3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.715 7.808 1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.159 8.101 1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.783 9.524 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.699 9.680 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.114 11.036 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.781 10.057 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.783 12.241 2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.057 11.038 3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.348 11.986 3.388 1.00 0.00 H new ATOM 869 N ARG A 56 3.125 5.390 0.957 1.00 0.00 N ATOM 870 CA ARG A 56 3.345 5.011 -0.469 1.00 0.00 C ATOM 871 C ARG A 56 2.426 3.850 -0.855 1.00 0.00 C ATOM 872 O ARG A 56 1.535 4.005 -1.660 1.00 0.00 O ATOM 873 CB ARG A 56 4.803 4.592 -0.662 1.00 0.00 C ATOM 874 CG ARG A 56 5.569 5.719 -1.358 1.00 0.00 C ATOM 875 CD ARG A 56 5.500 5.522 -2.875 1.00 0.00 C ATOM 876 NE ARG A 56 6.412 6.491 -3.549 1.00 0.00 N ATOM 877 CZ ARG A 56 6.555 7.698 -3.071 1.00 0.00 C ATOM 878 NH1 ARG A 56 5.761 8.656 -3.466 1.00 0.00 N ATOM 879 NH2 ARG A 56 7.494 7.947 -2.198 1.00 0.00 N ATOM 0 H ARG A 56 3.969 5.655 1.465 1.00 0.00 H new ATOM 0 HA ARG A 56 3.119 5.868 -1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.259 4.369 0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.855 3.681 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.143 6.685 -1.086 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.608 5.725 -1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.783 4.501 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.478 5.667 -3.224 1.00 0.00 H new ATOM 0 HE ARG A 56 6.925 6.210 -4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.028 8.462 -4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.873 9.598 -3.092 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.115 7.199 -1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.606 8.889 -1.824 1.00 0.00 H new ATOM 893 N ALA A 57 2.641 2.687 -0.294 1.00 0.00 N ATOM 894 CA ALA A 57 1.781 1.518 -0.637 1.00 0.00 C ATOM 895 C ALA A 57 0.319 1.963 -0.751 1.00 0.00 C ATOM 896 O ALA A 57 -0.330 1.736 -1.751 1.00 0.00 O ATOM 897 CB ALA A 57 1.892 0.448 0.460 1.00 0.00 C ATOM 0 H ALA A 57 3.376 2.498 0.387 1.00 0.00 H new ATOM 0 HA ALA A 57 2.115 1.104 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.261 -0.403 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.928 0.120 0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.566 0.867 1.412 1.00 0.00 H new ATOM 903 N ALA A 58 -0.204 2.581 0.274 1.00 0.00 N ATOM 904 CA ALA A 58 -1.630 3.025 0.241 1.00 0.00 C ATOM 905 C ALA A 58 -1.913 3.838 -1.026 1.00 0.00 C ATOM 906 O ALA A 58 -2.785 3.496 -1.801 1.00 0.00 O ATOM 907 CB ALA A 58 -1.933 3.874 1.477 1.00 0.00 C ATOM 0 H ALA A 58 0.296 2.799 1.136 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.270 2.143 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.974 4.197 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.759 3.283 2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.282 4.748 1.486 1.00 0.00 H new ATOM 913 N GLU A 59 -1.200 4.909 -1.254 1.00 0.00 N ATOM 914 CA GLU A 59 -1.466 5.705 -2.486 1.00 0.00 C ATOM 915 C GLU A 59 -1.534 4.748 -3.666 1.00 0.00 C ATOM 916 O GLU A 59 -2.410 4.824 -4.498 1.00 0.00 O ATOM 917 CB GLU A 59 -0.339 6.713 -2.724 1.00 0.00 C ATOM 918 CG GLU A 59 -0.628 7.998 -1.948 1.00 0.00 C ATOM 919 CD GLU A 59 0.491 9.010 -2.199 1.00 0.00 C ATOM 920 OE1 GLU A 59 0.742 9.311 -3.354 1.00 0.00 O ATOM 921 OE2 GLU A 59 1.079 9.466 -1.231 1.00 0.00 O ATOM 0 H GLU A 59 -0.457 5.262 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.404 6.249 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.614 6.290 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.251 6.931 -3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.586 8.415 -2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.705 7.782 -0.882 1.00 0.00 H new ATOM 928 N LYS A 60 -0.614 3.836 -3.732 1.00 0.00 N ATOM 929 CA LYS A 60 -0.614 2.853 -4.841 1.00 0.00 C ATOM 930 C LYS A 60 -1.978 2.163 -4.894 1.00 0.00 C ATOM 931 O LYS A 60 -2.548 1.978 -5.945 1.00 0.00 O ATOM 932 CB LYS A 60 0.485 1.817 -4.584 1.00 0.00 C ATOM 933 CG LYS A 60 1.458 1.800 -5.765 1.00 0.00 C ATOM 934 CD LYS A 60 1.924 3.226 -6.064 1.00 0.00 C ATOM 935 CE LYS A 60 3.433 3.327 -5.842 1.00 0.00 C ATOM 936 NZ LYS A 60 4.142 3.107 -7.135 1.00 0.00 N ATOM 0 H LYS A 60 0.145 3.728 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.426 3.353 -5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.018 2.057 -3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.044 0.829 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.315 1.167 -5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.973 1.373 -6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.678 3.492 -7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.403 3.933 -5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.687 4.307 -5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.754 2.587 -5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.169 3.176 -6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.909 2.163 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.844 3.829 -7.822 1.00 0.00 H new ATOM 950 N MET A 61 -2.496 1.781 -3.757 1.00 0.00 N ATOM 951 CA MET A 61 -3.820 1.090 -3.709 1.00 0.00 C ATOM 952 C MET A 61 -4.946 2.018 -4.153 1.00 0.00 C ATOM 953 O MET A 61 -5.599 1.799 -5.153 1.00 0.00 O ATOM 954 CB MET A 61 -4.115 0.674 -2.270 1.00 0.00 C ATOM 955 CG MET A 61 -2.921 -0.065 -1.699 1.00 0.00 C ATOM 956 SD MET A 61 -2.514 -1.443 -2.791 1.00 0.00 S ATOM 957 CE MET A 61 -4.118 -2.267 -2.725 1.00 0.00 C ATOM 0 H MET A 61 -2.054 1.920 -2.848 1.00 0.00 H new ATOM 0 HA MET A 61 -3.771 0.230 -4.376 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.335 1.553 -1.664 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.999 0.037 -2.239 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.069 0.608 -1.607 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.147 -0.431 -0.698 1.00 0.00 H new ATOM 0 HE1 MET A 61 -3.979 -3.342 -2.836 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.595 -2.059 -1.767 1.00 0.00 H new ATOM 0 HE3 MET A 61 -4.750 -1.898 -3.532 1.00 0.00 H new ATOM 967 N LEU A 62 -5.201 3.037 -3.391 1.00 0.00 N ATOM 968 CA LEU A 62 -6.310 3.952 -3.747 1.00 0.00 C ATOM 969 C LEU A 62 -6.137 4.367 -5.199 1.00 0.00 C ATOM 970 O LEU A 62 -6.971 4.094 -6.026 1.00 0.00 O ATOM 971 CB LEU A 62 -6.293 5.169 -2.813 1.00 0.00 C ATOM 972 CG LEU A 62 -6.331 4.733 -1.324 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.427 5.515 -0.594 1.00 0.00 C ATOM 974 CD2 LEU A 62 -6.625 3.225 -1.173 1.00 0.00 C ATOM 0 H LEU A 62 -4.691 3.275 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.274 3.457 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.397 5.761 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.148 5.809 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.350 4.939 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.456 5.211 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.215 6.582 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.391 5.309 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.643 2.962 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.592 2.996 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.848 2.651 -1.677 1.00 0.00 H new ATOM 986 N VAL A 63 -5.052 4.993 -5.523 1.00 0.00 N ATOM 987 CA VAL A 63 -4.822 5.392 -6.936 1.00 0.00 C ATOM 988 C VAL A 63 -4.905 4.143 -7.833 1.00 0.00 C ATOM 989 O VAL A 63 -5.221 4.230 -9.003 1.00 0.00 O ATOM 990 CB VAL A 63 -3.435 6.037 -7.044 1.00 0.00 C ATOM 991 CG1 VAL A 63 -2.946 6.011 -8.490 1.00 0.00 C ATOM 992 CG2 VAL A 63 -3.512 7.488 -6.565 1.00 0.00 C ATOM 0 H VAL A 63 -4.309 5.249 -4.872 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.578 6.108 -7.260 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.737 5.475 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.960 6.473 -8.549 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.885 4.979 -8.835 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.643 6.563 -9.120 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.527 7.949 -6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.219 8.039 -7.185 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.845 7.511 -5.527 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.611 2.984 -7.297 1.00 0.00 N ATOM 1003 CA GLU A 64 -4.658 1.735 -8.123 1.00 0.00 C ATOM 1004 C GLU A 64 -6.083 1.465 -8.628 1.00 0.00 C ATOM 1005 O GLU A 64 -6.304 1.308 -9.813 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.184 0.535 -7.295 1.00 0.00 C ATOM 1007 CG GLU A 64 -2.765 0.155 -7.724 1.00 0.00 C ATOM 1008 CD GLU A 64 -2.831 -0.868 -8.860 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -3.217 -1.994 -8.595 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -2.493 -0.507 -9.975 1.00 0.00 O ATOM 0 H GLU A 64 -4.340 2.848 -6.323 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.998 1.875 -8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.202 0.781 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.858 -0.309 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.223 1.042 -8.051 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.217 -0.260 -6.878 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.052 1.383 -7.749 1.00 0.00 N ATOM 1018 CA LEU A 65 -8.444 1.092 -8.222 1.00 0.00 C ATOM 1019 C LEU A 65 -9.369 2.291 -8.012 1.00 0.00 C ATOM 1020 O LEU A 65 -10.578 2.170 -8.066 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.025 -0.136 -7.504 1.00 0.00 C ATOM 1022 CG LEU A 65 -8.473 -0.276 -6.081 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -7.008 -0.712 -6.121 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.614 1.046 -5.322 1.00 0.00 C ATOM 0 H LEU A 65 -6.945 1.502 -6.742 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.381 0.884 -9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.111 -0.055 -7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.792 -1.035 -8.075 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.049 -1.039 -5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.629 -0.807 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.928 -1.673 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.421 0.033 -6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.218 0.930 -4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.058 1.826 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.666 1.324 -5.269 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.822 3.443 -7.784 1.00 0.00 N ATOM 1037 CA GLN A 66 -9.684 4.644 -7.582 1.00 0.00 C ATOM 1038 C GLN A 66 -9.759 5.436 -8.887 1.00 0.00 C ATOM 1039 O GLN A 66 -10.768 6.033 -9.205 1.00 0.00 O ATOM 1040 CB GLN A 66 -9.102 5.535 -6.481 1.00 0.00 C ATOM 1041 CG GLN A 66 -9.251 4.839 -5.127 1.00 0.00 C ATOM 1042 CD GLN A 66 -10.419 5.415 -4.375 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -10.761 6.572 -4.523 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -11.051 4.638 -3.564 1.00 0.00 N ATOM 0 H GLN A 66 -7.818 3.612 -7.728 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.682 4.320 -7.285 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.051 5.740 -6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.617 6.496 -6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.395 3.769 -5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.338 4.961 -4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.753 3.669 -3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.849 4.992 -3.037 1.00 0.00 H new ATOM 1053 N LYS A 67 -8.700 5.442 -9.647 1.00 0.00 N ATOM 1054 CA LYS A 67 -8.714 6.192 -10.933 1.00 0.00 C ATOM 1055 C LYS A 67 -9.697 5.524 -11.895 1.00 0.00 C ATOM 1056 O LYS A 67 -10.242 6.155 -12.779 1.00 0.00 O ATOM 1057 CB LYS A 67 -7.312 6.185 -11.545 1.00 0.00 C ATOM 1058 CG LYS A 67 -6.612 7.508 -11.228 1.00 0.00 C ATOM 1059 CD LYS A 67 -5.362 7.647 -12.099 1.00 0.00 C ATOM 1060 CE LYS A 67 -5.620 8.679 -13.198 1.00 0.00 C ATOM 1061 NZ LYS A 67 -4.359 8.923 -13.955 1.00 0.00 N ATOM 0 H LYS A 67 -7.826 4.961 -9.434 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.022 7.222 -10.753 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.734 5.351 -11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.375 6.044 -12.624 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.289 8.342 -11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.339 7.543 -10.173 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.513 7.954 -11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.105 6.685 -12.542 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.398 8.322 -13.872 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.980 9.610 -12.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.533 9.625 -14.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.629 9.282 -13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.034 8.033 -14.384 1.00 0.00 H new ATOM 1075 N LEU A 68 -9.933 4.251 -11.727 1.00 0.00 N ATOM 1076 CA LEU A 68 -10.881 3.543 -12.625 1.00 0.00 C ATOM 1077 C LEU A 68 -12.159 4.372 -12.775 1.00 0.00 C ATOM 1078 O LEU A 68 -12.766 4.304 -13.832 1.00 0.00 O ATOM 1079 CB LEU A 68 -11.222 2.184 -12.019 1.00 0.00 C ATOM 1080 CG LEU A 68 -9.932 1.422 -11.711 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -10.267 -0.026 -11.349 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -9.026 1.441 -12.945 1.00 0.00 C ATOM 1083 OXT LEU A 68 -12.511 5.059 -11.831 1.00 0.00 O ATOM 0 H LEU A 68 -9.507 3.672 -11.003 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.425 3.404 -13.605 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.804 2.317 -11.107 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.839 1.610 -12.711 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.420 1.896 -10.873 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.347 -0.568 -11.130 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.915 -0.041 -10.473 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.778 -0.502 -12.186 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.105 0.899 -12.729 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.540 0.966 -13.781 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.787 2.472 -13.205 1.00 0.00 H new TER 1095 LEU A 68