USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 864 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 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl 161:sc= -0.774 (180deg=-1.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0351 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0369 K(o=-0.037,f=-0.88) USER MOD Single : A 30 LYS NZ :NH3+ 151:sc= 1.01 (180deg=0.526) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -48:sc= 0.00292 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= 1.23 (180deg=1.18) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.4 K(o=-0.4,f=-8.2!) USER MOD Single : A 50 THR OG1 : rot 88:sc= 1.24 USER MOD Single : A 52 ASN : amide:sc= -0.0762 K(o=-0.076,f=-0.72) USER MOD Single : B 8 TYR OH : rot 152:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ -176:sc= 1.1 (180deg=1.08) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= -0.0434 K(o=-0.043,f=-2!) USER MOD Single : B 15 MET CE :methyl 162:sc= -0.0684 (180deg=-0.204) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 120:sc= -0.128 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0141) USER MOD Single : B 27 ASN : amide:sc= 0.286 K(o=0.29,f=-4.5!) USER MOD Single : B 30 LYS NZ :NH3+ -165:sc=-0.000269 (180deg=-0.376) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -45:sc= 0.0127 USER MOD Single : B 35 GLN : amide:sc= -0.135 K(o=-0.13,f=-1.3) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -179:sc= 0 (180deg=-4.9e-05) USER MOD Single : B 44 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-12!) USER MOD Single : B 50 THR OG1 : rot 85:sc= 0.0656 USER MOD Single : B 52 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 4 6.146 14.868 -1.818 1.00 0.00 N ATOM 54 CA LEU A 4 5.890 13.632 -2.570 1.00 0.00 C ATOM 55 C LEU A 4 6.472 12.380 -1.891 1.00 0.00 C ATOM 56 O LEU A 4 5.758 11.390 -1.724 1.00 0.00 O ATOM 57 CB LEU A 4 6.324 13.811 -4.043 1.00 0.00 C ATOM 58 CG LEU A 4 7.799 14.212 -4.267 1.00 0.00 C ATOM 59 CD1 LEU A 4 8.707 13.017 -4.521 1.00 0.00 C ATOM 60 CD2 LEU A 4 7.962 15.136 -5.478 1.00 0.00 C ATOM 0 HA LEU A 4 4.816 13.447 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.137 12.877 -4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.688 14.569 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 4 8.085 14.714 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.730 13.363 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.673 12.345 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.369 12.486 -5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.014 15.394 -5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.607 14.627 -6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.381 16.045 -5.323 1.00 0.00 H new ATOM 72 N ARG A 5 7.717 12.448 -1.393 1.00 0.00 N ATOM 73 CA ARG A 5 8.356 11.380 -0.597 1.00 0.00 C ATOM 74 C ARG A 5 7.605 11.142 0.719 1.00 0.00 C ATOM 75 O ARG A 5 7.401 10.005 1.136 1.00 0.00 O ATOM 76 CB ARG A 5 9.827 11.771 -0.355 1.00 0.00 C ATOM 77 CG ARG A 5 10.722 10.580 0.018 1.00 0.00 C ATOM 78 CD ARG A 5 12.142 11.068 0.339 1.00 0.00 C ATOM 79 NE ARG A 5 13.114 9.956 0.377 1.00 0.00 N ATOM 80 CZ ARG A 5 14.306 9.959 0.950 1.00 0.00 C ATOM 81 NH1 ARG A 5 14.738 10.963 1.660 1.00 0.00 N ATOM 82 NH2 ARG A 5 15.102 8.937 0.817 1.00 0.00 N ATOM 0 H ARG A 5 8.320 13.259 -1.533 1.00 0.00 H new ATOM 0 HA ARG A 5 8.319 10.438 -1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.222 12.245 -1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.871 12.513 0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.305 10.057 0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.752 9.866 -0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.453 11.796 -0.410 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.140 11.581 1.301 1.00 0.00 H new ATOM 0 HE ARG A 5 12.836 9.093 -0.089 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.150 11.786 1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.664 10.926 2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.807 8.129 0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.020 8.945 1.261 1.00 0.00 H new ATOM 96 N GLU A 6 7.134 12.237 1.318 1.00 0.00 N ATOM 97 CA GLU A 6 6.297 12.256 2.522 1.00 0.00 C ATOM 98 C GLU A 6 4.972 11.497 2.327 1.00 0.00 C ATOM 99 O GLU A 6 4.549 10.743 3.201 1.00 0.00 O ATOM 100 CB GLU A 6 6.035 13.727 2.906 1.00 0.00 C ATOM 101 CG GLU A 6 5.581 13.915 4.360 1.00 0.00 C ATOM 102 CD GLU A 6 6.760 13.761 5.350 1.00 0.00 C ATOM 103 OE1 GLU A 6 7.076 12.619 5.759 1.00 0.00 O ATOM 104 OE2 GLU A 6 7.380 14.787 5.719 1.00 0.00 O ATOM 0 H GLU A 6 7.332 13.173 0.965 1.00 0.00 H new ATOM 0 HA GLU A 6 6.825 11.742 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.945 14.304 2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.274 14.136 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.134 14.902 4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.808 13.184 4.598 1.00 0.00 H new ATOM 111 N LEU A 7 4.338 11.656 1.158 1.00 0.00 N ATOM 112 CA LEU A 7 3.070 10.996 0.823 1.00 0.00 C ATOM 113 C LEU A 7 3.263 9.478 0.692 1.00 0.00 C ATOM 114 O LEU A 7 2.627 8.712 1.411 1.00 0.00 O ATOM 115 CB LEU A 7 2.484 11.580 -0.482 1.00 0.00 C ATOM 116 CG LEU A 7 2.286 13.105 -0.508 1.00 0.00 C ATOM 117 CD1 LEU A 7 1.648 13.525 -1.831 1.00 0.00 C ATOM 118 CD2 LEU A 7 1.388 13.589 0.626 1.00 0.00 C ATOM 0 H LEU A 7 4.695 12.252 0.411 1.00 0.00 H new ATOM 0 HA LEU A 7 2.365 11.182 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.141 11.305 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.521 11.105 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 7 3.272 13.554 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.511 14.606 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.297 13.233 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.680 13.036 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.278 14.672 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.408 13.119 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.835 13.322 1.584 1.00 0.00 H new ATOM 130 N TYR A 8 4.192 9.072 -0.180 1.00 0.00 N ATOM 131 CA TYR A 8 4.595 7.692 -0.507 1.00 0.00 C ATOM 132 C TYR A 8 4.875 6.850 0.727 1.00 0.00 C ATOM 133 O TYR A 8 4.399 5.724 0.831 1.00 0.00 O ATOM 134 CB TYR A 8 5.886 7.836 -1.348 1.00 0.00 C ATOM 135 CG TYR A 8 6.331 6.735 -2.298 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.363 5.378 -1.912 1.00 0.00 C ATOM 137 CD2 TYR A 8 6.867 7.106 -3.549 1.00 0.00 C ATOM 138 CE1 TYR A 8 6.899 4.404 -2.779 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.410 6.135 -4.408 1.00 0.00 C ATOM 140 CZ TYR A 8 7.425 4.779 -4.031 1.00 0.00 C ATOM 141 OH TYR A 8 7.976 3.850 -4.859 1.00 0.00 O ATOM 0 H TYR A 8 4.727 9.751 -0.721 1.00 0.00 H new ATOM 0 HA TYR A 8 3.791 7.180 -1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.781 8.745 -1.940 1.00 0.00 H new ATOM 0 HB3 TYR A 8 6.705 8.004 -0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.975 5.084 -0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.860 8.144 -3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.906 3.366 -2.482 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.818 6.431 -5.363 1.00 0.00 H new ATOM 0 HH TYR A 8 7.541 2.984 -4.714 1.00 0.00 H new ATOM 151 N LYS A 9 5.646 7.385 1.669 1.00 0.00 N ATOM 152 CA LYS A 9 6.063 6.647 2.861 1.00 0.00 C ATOM 153 C LYS A 9 4.915 6.266 3.791 1.00 0.00 C ATOM 154 O LYS A 9 4.782 5.097 4.136 1.00 0.00 O ATOM 155 CB LYS A 9 7.174 7.450 3.544 1.00 0.00 C ATOM 156 CG LYS A 9 8.011 6.569 4.473 1.00 0.00 C ATOM 157 CD LYS A 9 9.376 7.216 4.725 1.00 0.00 C ATOM 158 CE LYS A 9 9.293 8.435 5.654 1.00 0.00 C ATOM 159 NZ LYS A 9 10.645 8.956 5.983 1.00 0.00 N ATOM 0 H LYS A 9 6.000 8.341 1.629 1.00 0.00 H new ATOM 0 HA LYS A 9 6.453 5.674 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.818 7.898 2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.735 8.268 4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.488 6.425 5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.144 5.583 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.048 6.477 5.161 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.811 7.519 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.705 9.219 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.773 8.161 6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.556 9.779 6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.196 8.214 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.130 9.240 5.108 1.00 0.00 H new ATOM 173 N LEU A 10 4.039 7.203 4.132 1.00 0.00 N ATOM 174 CA LEU A 10 2.794 6.929 4.842 1.00 0.00 C ATOM 175 C LEU A 10 1.782 6.102 4.025 1.00 0.00 C ATOM 176 O LEU A 10 1.117 5.230 4.580 1.00 0.00 O ATOM 177 CB LEU A 10 2.208 8.243 5.384 1.00 0.00 C ATOM 178 CG LEU A 10 3.061 8.756 6.566 1.00 0.00 C ATOM 179 CD1 LEU A 10 4.020 9.886 6.202 1.00 0.00 C ATOM 180 CD2 LEU A 10 2.166 9.215 7.720 1.00 0.00 C ATOM 0 H LEU A 10 4.175 8.191 3.920 1.00 0.00 H new ATOM 0 HA LEU A 10 3.029 6.284 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.181 8.992 4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.180 8.085 5.709 1.00 0.00 H new ATOM 0 HG LEU A 10 3.672 7.905 6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.580 10.187 7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.713 9.542 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.453 10.737 5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.787 9.572 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.517 10.021 7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.557 8.379 8.063 1.00 0.00 H new ATOM 192 N GLU A 11 1.742 6.278 2.704 1.00 0.00 N ATOM 193 CA GLU A 11 1.091 5.354 1.761 1.00 0.00 C ATOM 194 C GLU A 11 1.649 3.919 1.880 1.00 0.00 C ATOM 195 O GLU A 11 0.874 2.960 1.860 1.00 0.00 O ATOM 196 CB GLU A 11 1.220 5.945 0.332 1.00 0.00 C ATOM 197 CG GLU A 11 -0.013 6.736 -0.132 1.00 0.00 C ATOM 198 CD GLU A 11 -1.188 5.900 -0.661 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.842 5.049 -0.038 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.747 6.059 -1.761 1.00 0.00 O ATOM 0 H GLU A 11 2.169 7.083 2.245 1.00 0.00 H new ATOM 0 HA GLU A 11 0.033 5.259 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.092 6.598 0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.403 5.132 -0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.369 7.339 0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.297 7.428 -0.915 1.00 0.00 H new ATOM 207 N GLN A 12 2.958 3.743 2.107 1.00 0.00 N ATOM 208 CA GLN A 12 3.563 2.441 2.351 1.00 0.00 C ATOM 209 C GLN A 12 3.448 1.916 3.784 1.00 0.00 C ATOM 210 O GLN A 12 3.554 0.713 3.990 1.00 0.00 O ATOM 211 CB GLN A 12 5.026 2.448 1.918 1.00 0.00 C ATOM 212 CG GLN A 12 5.130 2.327 0.399 1.00 0.00 C ATOM 213 CD GLN A 12 6.581 2.149 -0.047 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.481 2.882 0.342 1.00 0.00 O ATOM 215 NE2 GLN A 12 6.877 1.159 -0.864 1.00 0.00 N ATOM 0 H GLN A 12 3.627 4.513 2.125 1.00 0.00 H new ATOM 0 HA GLN A 12 2.979 1.748 1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.506 3.369 2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.557 1.623 2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.536 1.479 0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.711 3.218 -0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.141 0.537 -1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.842 1.014 -1.161 1.00 0.00 H new ATOM 224 N GLN A 13 3.191 2.756 4.780 1.00 0.00 N ATOM 225 CA GLN A 13 2.950 2.289 6.154 1.00 0.00 C ATOM 226 C GLN A 13 1.647 1.492 6.262 1.00 0.00 C ATOM 227 O GLN A 13 1.625 0.475 6.955 1.00 0.00 O ATOM 228 CB GLN A 13 2.942 3.473 7.135 1.00 0.00 C ATOM 229 CG GLN A 13 4.327 4.084 7.401 1.00 0.00 C ATOM 230 CD GLN A 13 5.097 3.332 8.487 1.00 0.00 C ATOM 231 OE1 GLN A 13 4.785 3.400 9.668 1.00 0.00 O ATOM 232 NE2 GLN A 13 6.131 2.593 8.144 1.00 0.00 N ATOM 0 H GLN A 13 3.143 3.769 4.668 1.00 0.00 H new ATOM 0 HA GLN A 13 3.768 1.619 6.420 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.285 4.249 6.744 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.516 3.142 8.082 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.907 4.078 6.478 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.210 5.126 7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.406 2.524 7.164 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.657 2.089 8.858 1.00 0.00 H new ATOM 241 N ALA A 14 0.600 1.868 5.517 1.00 0.00 N ATOM 242 CA ALA A 14 -0.590 1.030 5.380 1.00 0.00 C ATOM 243 C ALA A 14 -0.275 -0.242 4.579 1.00 0.00 C ATOM 244 O ALA A 14 -0.710 -1.315 4.971 1.00 0.00 O ATOM 245 CB ALA A 14 -1.702 1.855 4.722 1.00 0.00 C ATOM 0 H ALA A 14 0.556 2.747 5.002 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.927 0.705 6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.596 1.240 4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.930 2.721 5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.372 2.191 3.739 1.00 0.00 H new ATOM 251 N MET A 15 0.529 -0.156 3.512 1.00 0.00 N ATOM 252 CA MET A 15 0.971 -1.318 2.707 1.00 0.00 C ATOM 253 C MET A 15 1.764 -2.348 3.526 1.00 0.00 C ATOM 254 O MET A 15 1.552 -3.551 3.383 1.00 0.00 O ATOM 255 CB MET A 15 1.824 -0.823 1.525 1.00 0.00 C ATOM 256 CG MET A 15 2.456 -1.908 0.641 1.00 0.00 C ATOM 257 SD MET A 15 1.335 -3.101 -0.125 1.00 0.00 S ATOM 258 CE MET A 15 0.225 -1.964 -0.987 1.00 0.00 C ATOM 0 H MET A 15 0.900 0.732 3.173 1.00 0.00 H new ATOM 0 HA MET A 15 0.075 -1.824 2.348 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.200 -0.189 0.895 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.623 -0.194 1.919 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.018 -1.414 -0.152 1.00 0.00 H new ATOM 0 HG3 MET A 15 3.176 -2.460 1.245 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.311 -2.502 -1.769 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.490 -1.547 -0.278 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.806 -1.157 -1.434 1.00 0.00 H new ATOM 268 N LYS A 16 2.661 -1.903 4.409 1.00 0.00 N ATOM 269 CA LYS A 16 3.453 -2.794 5.268 1.00 0.00 C ATOM 270 C LYS A 16 2.595 -3.459 6.335 1.00 0.00 C ATOM 271 O LYS A 16 2.750 -4.649 6.604 1.00 0.00 O ATOM 272 CB LYS A 16 4.587 -1.992 5.913 1.00 0.00 C ATOM 273 CG LYS A 16 5.904 -2.782 5.866 1.00 0.00 C ATOM 274 CD LYS A 16 7.080 -1.941 6.371 1.00 0.00 C ATOM 275 CE LYS A 16 8.394 -2.715 6.194 1.00 0.00 C ATOM 276 NZ LYS A 16 9.567 -1.928 6.661 1.00 0.00 N ATOM 0 H LYS A 16 2.861 -0.913 4.551 1.00 0.00 H new ATOM 0 HA LYS A 16 3.869 -3.590 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.708 -1.041 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.333 -1.760 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.812 -3.682 6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.099 -3.106 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.126 -1.000 5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.934 -1.691 7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.341 -3.652 6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.525 -2.973 5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.435 -2.485 6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.633 -1.045 6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.455 -1.703 7.670 1.00 0.00 H new ATOM 290 N LEU A 17 1.642 -2.702 6.885 1.00 0.00 N ATOM 291 CA LEU A 17 0.571 -3.243 7.719 1.00 0.00 C ATOM 292 C LEU A 17 -0.250 -4.295 6.957 1.00 0.00 C ATOM 293 O LEU A 17 -0.388 -5.420 7.430 1.00 0.00 O ATOM 294 CB LEU A 17 -0.282 -2.069 8.241 1.00 0.00 C ATOM 295 CG LEU A 17 0.043 -1.703 9.699 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.719 -0.440 10.080 1.00 0.00 C ATOM 297 CD2 LEU A 17 -0.337 -2.798 10.702 1.00 0.00 C ATOM 0 H LEU A 17 1.593 -1.691 6.762 1.00 0.00 H new ATOM 0 HA LEU A 17 0.989 -3.770 8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.120 -1.197 7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.338 -2.329 8.162 1.00 0.00 H new ATOM 0 HG LEU A 17 1.123 -1.564 9.748 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.492 -0.176 11.113 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.421 0.377 9.423 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.790 -0.616 9.977 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.080 -2.473 11.710 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.409 -2.988 10.644 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.207 -3.712 10.466 1.00 0.00 H new ATOM 309 N TYR A 18 -0.698 -3.979 5.739 1.00 0.00 N ATOM 310 CA TYR A 18 -1.363 -4.891 4.810 1.00 0.00 C ATOM 311 C TYR A 18 -0.573 -6.179 4.501 1.00 0.00 C ATOM 312 O TYR A 18 -1.175 -7.253 4.430 1.00 0.00 O ATOM 313 CB TYR A 18 -1.732 -4.116 3.531 1.00 0.00 C ATOM 314 CG TYR A 18 -3.071 -3.404 3.580 1.00 0.00 C ATOM 315 CD1 TYR A 18 -4.224 -4.133 3.914 1.00 0.00 C ATOM 316 CD2 TYR A 18 -3.178 -2.030 3.289 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.469 -3.494 4.027 1.00 0.00 C ATOM 318 CE2 TYR A 18 -4.415 -1.373 3.430 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.560 -2.101 3.825 1.00 0.00 C ATOM 320 OH TYR A 18 -6.748 -1.469 4.007 1.00 0.00 O ATOM 0 H TYR A 18 -0.602 -3.038 5.358 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.266 -5.253 5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.953 -3.380 3.332 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.737 -4.811 2.691 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.152 -5.197 4.086 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.310 -1.480 2.957 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.353 -4.066 4.267 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.489 -0.313 3.236 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.640 -0.511 3.828 1.00 0.00 H new ATOM 330 N ARG A 19 0.762 -6.114 4.385 1.00 0.00 N ATOM 331 CA ARG A 19 1.647 -7.279 4.170 1.00 0.00 C ATOM 332 C ARG A 19 1.573 -8.320 5.300 1.00 0.00 C ATOM 333 O ARG A 19 1.756 -9.511 5.051 1.00 0.00 O ATOM 334 CB ARG A 19 3.094 -6.789 3.947 1.00 0.00 C ATOM 335 CG ARG A 19 3.939 -7.785 3.134 1.00 0.00 C ATOM 336 CD ARG A 19 5.376 -7.277 2.946 1.00 0.00 C ATOM 337 NE ARG A 19 6.125 -8.117 1.987 1.00 0.00 N ATOM 338 CZ ARG A 19 7.425 -8.086 1.744 1.00 0.00 C ATOM 339 NH1 ARG A 19 8.239 -7.302 2.396 1.00 0.00 N ATOM 340 NH2 ARG A 19 7.941 -8.851 0.826 1.00 0.00 N ATOM 0 H ARG A 19 1.272 -5.232 4.439 1.00 0.00 H new ATOM 0 HA ARG A 19 1.295 -7.798 3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.073 -5.830 3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.569 -6.620 4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.956 -8.750 3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.478 -7.946 2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.356 -6.247 2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.890 -7.273 3.907 1.00 0.00 H new ATOM 0 HE ARG A 19 5.580 -8.795 1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.879 -6.684 3.123 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.236 -7.308 2.179 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.342 -9.479 0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.944 -8.823 0.643 1.00 0.00 H new ATOM 354 N GLU A 20 1.260 -7.890 6.524 1.00 0.00 N ATOM 355 CA GLU A 20 1.110 -8.752 7.713 1.00 0.00 C ATOM 356 C GLU A 20 -0.352 -9.072 8.027 1.00 0.00 C ATOM 357 O GLU A 20 -0.692 -10.201 8.384 1.00 0.00 O ATOM 358 CB GLU A 20 1.740 -8.040 8.918 1.00 0.00 C ATOM 359 CG GLU A 20 2.367 -9.034 9.902 1.00 0.00 C ATOM 360 CD GLU A 20 3.068 -8.303 11.063 1.00 0.00 C ATOM 361 OE1 GLU A 20 2.401 -7.986 12.078 1.00 0.00 O ATOM 362 OE2 GLU A 20 4.295 -8.049 10.975 1.00 0.00 O ATOM 0 H GLU A 20 1.098 -6.904 6.728 1.00 0.00 H new ATOM 0 HA GLU A 20 1.611 -9.697 7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.502 -7.343 8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.979 -7.451 9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.595 -9.694 10.298 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.086 -9.663 9.378 1.00 0.00 H new ATOM 369 N ALA A 21 -1.232 -8.097 7.803 1.00 0.00 N ATOM 370 CA ALA A 21 -2.681 -8.290 7.787 1.00 0.00 C ATOM 371 C ALA A 21 -3.091 -9.432 6.842 1.00 0.00 C ATOM 372 O ALA A 21 -3.960 -10.221 7.190 1.00 0.00 O ATOM 373 CB ALA A 21 -3.368 -6.982 7.386 1.00 0.00 C ATOM 0 H ALA A 21 -0.952 -7.133 7.624 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.001 -8.573 8.790 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.448 -7.127 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.114 -6.203 8.105 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.031 -6.684 6.393 1.00 0.00 H new ATOM 379 N SER A 22 -2.423 -9.578 5.690 1.00 0.00 N ATOM 380 CA SER A 22 -2.599 -10.705 4.761 1.00 0.00 C ATOM 381 C SER A 22 -2.361 -12.082 5.409 1.00 0.00 C ATOM 382 O SER A 22 -3.068 -13.040 5.094 1.00 0.00 O ATOM 383 CB SER A 22 -1.667 -10.517 3.557 1.00 0.00 C ATOM 384 OG SER A 22 -1.987 -11.424 2.514 1.00 0.00 O ATOM 0 H SER A 22 -1.730 -8.902 5.370 1.00 0.00 H new ATOM 0 HA SER A 22 -3.642 -10.699 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.745 -9.494 3.189 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.633 -10.666 3.868 1.00 0.00 H new ATOM 0 HG SER A 22 -1.379 -11.282 1.759 1.00 0.00 H new ATOM 390 N GLU A 23 -1.425 -12.198 6.363 1.00 0.00 N ATOM 391 CA GLU A 23 -1.205 -13.434 7.135 1.00 0.00 C ATOM 392 C GLU A 23 -2.334 -13.687 8.148 1.00 0.00 C ATOM 393 O GLU A 23 -2.872 -14.794 8.235 1.00 0.00 O ATOM 394 CB GLU A 23 0.147 -13.352 7.860 1.00 0.00 C ATOM 395 CG GLU A 23 0.655 -14.734 8.288 1.00 0.00 C ATOM 396 CD GLU A 23 2.026 -14.630 8.984 1.00 0.00 C ATOM 397 OE1 GLU A 23 3.071 -14.667 8.289 1.00 0.00 O ATOM 398 OE2 GLU A 23 2.071 -14.526 10.235 1.00 0.00 O ATOM 0 H GLU A 23 -0.797 -11.437 6.623 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.201 -14.271 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.881 -12.883 7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.049 -12.714 8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.065 -15.196 8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.735 -15.382 7.415 1.00 0.00 H new ATOM 405 N LYS A 24 -2.746 -12.635 8.868 1.00 0.00 N ATOM 406 CA LYS A 24 -3.932 -12.634 9.754 1.00 0.00 C ATOM 407 C LYS A 24 -5.260 -12.863 9.003 1.00 0.00 C ATOM 408 O LYS A 24 -6.239 -13.294 9.613 1.00 0.00 O ATOM 409 CB LYS A 24 -3.976 -11.318 10.557 1.00 0.00 C ATOM 410 CG LYS A 24 -2.842 -11.165 11.587 1.00 0.00 C ATOM 411 CD LYS A 24 -3.021 -12.083 12.808 1.00 0.00 C ATOM 412 CE LYS A 24 -1.870 -11.883 13.803 1.00 0.00 C ATOM 413 NZ LYS A 24 -2.062 -12.692 15.036 1.00 0.00 N ATOM 0 H LYS A 24 -2.258 -11.739 8.855 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.826 -13.480 10.433 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.934 -10.480 9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.933 -11.254 11.075 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.889 -11.387 11.107 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.797 -10.128 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.972 -11.869 13.295 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.055 -13.124 12.486 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.928 -12.159 13.330 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.797 -10.828 14.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.265 -12.531 15.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.949 -12.411 15.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.107 -13.701 14.786 1.00 0.00 H new ATOM 427 N ALA A 25 -5.266 -12.653 7.687 1.00 0.00 N ATOM 428 CA ALA A 25 -6.404 -12.742 6.770 1.00 0.00 C ATOM 429 C ALA A 25 -6.239 -13.867 5.727 1.00 0.00 C ATOM 430 O ALA A 25 -6.739 -13.750 4.607 1.00 0.00 O ATOM 431 CB ALA A 25 -6.584 -11.376 6.094 1.00 0.00 C ATOM 0 H ALA A 25 -4.410 -12.396 7.196 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.296 -13.000 7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.428 -11.419 5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.773 -10.617 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.679 -11.121 5.543 1.00 0.00 H new ATOM 437 N ARG A 26 -5.532 -14.954 6.076 1.00 0.00 N ATOM 438 CA ARG A 26 -5.250 -16.118 5.210 1.00 0.00 C ATOM 439 C ARG A 26 -6.461 -16.717 4.472 1.00 0.00 C ATOM 440 O ARG A 26 -6.292 -17.327 3.417 1.00 0.00 O ATOM 441 CB ARG A 26 -4.518 -17.179 6.052 1.00 0.00 C ATOM 442 CG ARG A 26 -5.397 -17.776 7.172 1.00 0.00 C ATOM 443 CD ARG A 26 -4.645 -17.880 8.501 1.00 0.00 C ATOM 444 NE ARG A 26 -5.500 -18.483 9.542 1.00 0.00 N ATOM 445 CZ ARG A 26 -5.277 -18.493 10.845 1.00 0.00 C ATOM 446 NH1 ARG A 26 -4.201 -17.976 11.368 1.00 0.00 N ATOM 447 NH2 ARG A 26 -6.144 -19.029 11.654 1.00 0.00 N ATOM 0 H ARG A 26 -5.124 -15.053 7.005 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.624 -15.755 4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.178 -17.982 5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.629 -16.732 6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.284 -17.156 7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.742 -18.766 6.873 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.746 -18.482 8.369 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.321 -16.889 8.819 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.354 -18.941 9.222 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.498 -17.546 10.767 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.062 -18.002 12.378 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.999 -19.443 11.283 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.968 -19.035 12.659 1.00 0.00 H new ATOM 461 N ASN A 27 -7.673 -16.549 5.008 1.00 0.00 N ATOM 462 CA ASN A 27 -8.938 -16.968 4.441 1.00 0.00 C ATOM 463 C ASN A 27 -9.241 -16.222 3.119 1.00 0.00 C ATOM 464 O ASN A 27 -9.160 -14.990 3.102 1.00 0.00 O ATOM 465 CB ASN A 27 -9.980 -16.614 5.516 1.00 0.00 C ATOM 466 CG ASN A 27 -9.762 -17.310 6.852 1.00 0.00 C ATOM 467 OD1 ASN A 27 -8.984 -16.865 7.685 1.00 0.00 O ATOM 468 ND2 ASN A 27 -10.426 -18.415 7.103 1.00 0.00 N ATOM 0 H ASN A 27 -7.794 -16.085 5.908 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.938 -18.029 4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.969 -15.536 5.675 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.971 -16.871 5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.292 -18.900 7.990 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.075 -18.788 6.411 1.00 0.00 H new ATOM 475 N PRO A 28 -9.679 -16.890 2.032 1.00 0.00 N ATOM 476 CA PRO A 28 -9.989 -16.221 0.759 1.00 0.00 C ATOM 477 C PRO A 28 -11.153 -15.215 0.861 1.00 0.00 C ATOM 478 O PRO A 28 -11.235 -14.274 0.072 1.00 0.00 O ATOM 479 CB PRO A 28 -10.269 -17.351 -0.238 1.00 0.00 C ATOM 480 CG PRO A 28 -10.728 -18.511 0.644 1.00 0.00 C ATOM 481 CD PRO A 28 -9.921 -18.322 1.928 1.00 0.00 C ATOM 0 HA PRO A 28 -9.153 -15.601 0.436 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.037 -17.068 -0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.377 -17.611 -0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.801 -18.471 0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.523 -19.475 0.179 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.471 -18.690 2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.983 -18.876 1.887 1.00 0.00 H new ATOM 489 N GLU A 29 -11.993 -15.350 1.894 1.00 0.00 N ATOM 490 CA GLU A 29 -13.037 -14.399 2.319 1.00 0.00 C ATOM 491 C GLU A 29 -12.526 -12.981 2.622 1.00 0.00 C ATOM 492 O GLU A 29 -13.300 -12.021 2.650 1.00 0.00 O ATOM 493 CB GLU A 29 -13.680 -14.959 3.598 1.00 0.00 C ATOM 494 CG GLU A 29 -15.197 -14.745 3.676 1.00 0.00 C ATOM 495 CD GLU A 29 -15.961 -15.623 2.669 1.00 0.00 C ATOM 496 OE1 GLU A 29 -16.239 -16.810 2.977 1.00 0.00 O ATOM 497 OE2 GLU A 29 -16.302 -15.136 1.562 1.00 0.00 O ATOM 0 H GLU A 29 -11.963 -16.174 2.494 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.735 -14.302 1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.470 -16.027 3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.212 -14.490 4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.542 -14.969 4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.424 -13.696 3.486 1.00 0.00 H new ATOM 504 N LYS A 30 -11.222 -12.858 2.882 1.00 0.00 N ATOM 505 CA LYS A 30 -10.501 -11.599 3.112 1.00 0.00 C ATOM 506 C LYS A 30 -9.287 -11.423 2.199 1.00 0.00 C ATOM 507 O LYS A 30 -9.078 -10.313 1.708 1.00 0.00 O ATOM 508 CB LYS A 30 -10.117 -11.464 4.598 1.00 0.00 C ATOM 509 CG LYS A 30 -11.323 -11.318 5.539 1.00 0.00 C ATOM 510 CD LYS A 30 -11.986 -9.930 5.462 1.00 0.00 C ATOM 511 CE LYS A 30 -13.461 -10.004 5.876 1.00 0.00 C ATOM 512 NZ LYS A 30 -14.340 -10.346 4.724 1.00 0.00 N ATOM 0 H LYS A 30 -10.609 -13.671 2.941 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.184 -10.790 2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.540 -12.339 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.467 -10.597 4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.062 -12.081 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.001 -11.504 6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.456 -9.233 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.908 -9.541 4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.582 -10.751 6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.769 -9.047 6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.180 -10.854 5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.636 -9.473 4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.819 -10.950 4.057 1.00 0.00 H new ATOM 526 N LYS A 31 -8.566 -12.497 1.856 1.00 0.00 N ATOM 527 CA LYS A 31 -7.457 -12.513 0.874 1.00 0.00 C ATOM 528 C LYS A 31 -7.868 -12.239 -0.587 1.00 0.00 C ATOM 529 O LYS A 31 -7.015 -12.205 -1.470 1.00 0.00 O ATOM 530 CB LYS A 31 -6.636 -13.808 1.045 1.00 0.00 C ATOM 531 CG LYS A 31 -5.155 -13.622 0.665 1.00 0.00 C ATOM 532 CD LYS A 31 -4.273 -14.713 1.292 1.00 0.00 C ATOM 533 CE LYS A 31 -2.785 -14.530 0.958 1.00 0.00 C ATOM 534 NZ LYS A 31 -2.469 -14.883 -0.452 1.00 0.00 N ATOM 0 H LYS A 31 -8.739 -13.415 2.265 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.822 -11.657 1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.703 -14.143 2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.070 -14.594 0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.050 -13.647 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.813 -12.641 0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.403 -14.703 2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.604 -15.690 0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.499 -13.494 1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.187 -15.149 1.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.453 -14.742 -0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.715 -15.879 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.017 -14.275 -1.093 1.00 0.00 H new ATOM 548 N SER A 32 -9.154 -11.972 -0.832 1.00 0.00 N ATOM 549 CA SER A 32 -9.700 -11.432 -2.090 1.00 0.00 C ATOM 550 C SER A 32 -10.539 -10.150 -1.874 1.00 0.00 C ATOM 551 O SER A 32 -11.298 -9.727 -2.747 1.00 0.00 O ATOM 552 CB SER A 32 -10.479 -12.545 -2.809 1.00 0.00 C ATOM 553 OG SER A 32 -10.559 -12.316 -4.209 1.00 0.00 O ATOM 0 H SER A 32 -9.878 -12.132 -0.132 1.00 0.00 H new ATOM 0 HA SER A 32 -8.876 -11.114 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.995 -13.504 -2.625 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.485 -12.611 -2.394 1.00 0.00 H new ATOM 0 HG SER A 32 -10.832 -11.389 -4.374 1.00 0.00 H new ATOM 559 N VAL A 33 -10.371 -9.494 -0.715 1.00 0.00 N ATOM 560 CA VAL A 33 -10.994 -8.203 -0.354 1.00 0.00 C ATOM 561 C VAL A 33 -9.925 -7.163 -0.021 1.00 0.00 C ATOM 562 O VAL A 33 -9.915 -6.098 -0.641 1.00 0.00 O ATOM 563 CB VAL A 33 -11.985 -8.358 0.818 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.584 -7.012 1.251 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.147 -9.282 0.434 1.00 0.00 C ATOM 0 H VAL A 33 -9.775 -9.859 0.028 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.559 -7.857 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.412 -8.782 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.276 -7.171 2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.784 -6.344 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.118 -6.565 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.832 -9.375 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.678 -8.863 -0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.758 -10.266 0.172 1.00 0.00 H new ATOM 575 N LEU A 34 -8.949 -7.475 0.849 1.00 0.00 N ATOM 576 CA LEU A 34 -7.795 -6.603 1.050 1.00 0.00 C ATOM 577 C LEU A 34 -6.910 -6.566 -0.215 1.00 0.00 C ATOM 578 O LEU A 34 -6.180 -5.605 -0.438 1.00 0.00 O ATOM 579 CB LEU A 34 -7.101 -6.979 2.381 1.00 0.00 C ATOM 580 CG LEU A 34 -5.864 -7.867 2.255 1.00 0.00 C ATOM 581 CD1 LEU A 34 -5.136 -8.008 3.594 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.118 -9.290 1.776 1.00 0.00 C ATOM 0 H LEU A 34 -8.942 -8.321 1.418 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.090 -5.561 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.815 -6.060 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.826 -7.486 3.017 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.276 -7.344 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.261 -8.646 3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.820 -7.024 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.807 -8.454 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.173 -9.830 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.786 -9.795 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.577 -9.265 0.788 1.00 0.00 H new ATOM 594 N GLN A 35 -7.043 -7.570 -1.093 1.00 0.00 N ATOM 595 CA GLN A 35 -6.355 -7.660 -2.379 1.00 0.00 C ATOM 596 C GLN A 35 -6.742 -6.522 -3.344 1.00 0.00 C ATOM 597 O GLN A 35 -5.924 -6.097 -4.161 1.00 0.00 O ATOM 598 CB GLN A 35 -6.687 -9.032 -2.994 1.00 0.00 C ATOM 599 CG GLN A 35 -5.696 -9.521 -4.065 1.00 0.00 C ATOM 600 CD GLN A 35 -4.406 -10.114 -3.488 1.00 0.00 C ATOM 601 OE1 GLN A 35 -3.866 -9.679 -2.481 1.00 0.00 O ATOM 602 NE2 GLN A 35 -3.855 -11.141 -4.102 1.00 0.00 N ATOM 0 H GLN A 35 -7.655 -8.367 -0.917 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.283 -7.556 -2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.729 -9.771 -2.194 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.682 -8.984 -3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.186 -10.273 -4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.441 -8.687 -4.719 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.286 -11.523 -4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.998 -11.554 -3.735 1.00 0.00 H new ATOM 611 N LYS A 36 -7.974 -5.996 -3.245 1.00 0.00 N ATOM 612 CA LYS A 36 -8.467 -4.924 -4.124 1.00 0.00 C ATOM 613 C LYS A 36 -7.869 -3.573 -3.725 1.00 0.00 C ATOM 614 O LYS A 36 -7.427 -2.812 -4.585 1.00 0.00 O ATOM 615 CB LYS A 36 -10.012 -4.922 -4.071 1.00 0.00 C ATOM 616 CG LYS A 36 -10.726 -4.642 -5.403 1.00 0.00 C ATOM 617 CD LYS A 36 -10.385 -3.301 -6.069 1.00 0.00 C ATOM 618 CE LYS A 36 -9.326 -3.458 -7.171 1.00 0.00 C ATOM 619 NZ LYS A 36 -9.149 -2.207 -7.950 1.00 0.00 N ATOM 0 H LYS A 36 -8.657 -6.303 -2.552 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.152 -5.103 -5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.345 -5.891 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.331 -4.174 -3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.485 -5.445 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.802 -4.680 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.290 -2.867 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.022 -2.603 -5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.375 -3.744 -6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.617 -4.266 -7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.737 -2.431 -8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.072 -1.748 -8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.514 -1.564 -7.435 1.00 0.00 H new ATOM 633 N ILE A 37 -7.769 -3.328 -2.416 1.00 0.00 N ATOM 634 CA ILE A 37 -6.992 -2.222 -1.838 1.00 0.00 C ATOM 635 C ILE A 37 -5.516 -2.383 -2.213 1.00 0.00 C ATOM 636 O ILE A 37 -4.933 -1.439 -2.727 1.00 0.00 O ATOM 637 CB ILE A 37 -7.179 -2.196 -0.303 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.641 -1.945 0.103 1.00 0.00 C ATOM 639 CG2 ILE A 37 -6.203 -1.198 0.343 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.939 -1.962 1.607 1.00 0.00 C ATOM 0 H ILE A 37 -8.234 -3.902 -1.713 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.347 -1.272 -2.238 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.936 -3.187 0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.946 -0.977 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.264 -2.699 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.349 -1.193 1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.178 -1.493 0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.389 -0.199 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.000 -1.773 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.676 -2.936 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.353 -1.188 2.103 1.00 0.00 H new ATOM 652 N LEU A 38 -4.913 -3.565 -2.039 1.00 0.00 N ATOM 653 CA LEU A 38 -3.517 -3.810 -2.427 1.00 0.00 C ATOM 654 C LEU A 38 -3.233 -3.447 -3.896 1.00 0.00 C ATOM 655 O LEU A 38 -2.205 -2.826 -4.174 1.00 0.00 O ATOM 656 CB LEU A 38 -3.146 -5.277 -2.134 1.00 0.00 C ATOM 657 CG LEU A 38 -2.835 -5.578 -0.655 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.704 -7.083 -0.431 1.00 0.00 C ATOM 659 CD2 LEU A 38 -1.519 -4.927 -0.238 1.00 0.00 C ATOM 0 H LEU A 38 -5.375 -4.376 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.888 -3.152 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.967 -5.917 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.278 -5.545 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.656 -5.178 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.484 -7.277 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.638 -7.574 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.896 -7.474 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.318 -5.152 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.709 -5.316 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.589 -3.847 -0.371 1.00 0.00 H new ATOM 671 N GLU A 39 -4.144 -3.756 -4.828 1.00 0.00 N ATOM 672 CA GLU A 39 -3.985 -3.361 -6.233 1.00 0.00 C ATOM 673 C GLU A 39 -4.073 -1.844 -6.444 1.00 0.00 C ATOM 674 O GLU A 39 -3.239 -1.256 -7.135 1.00 0.00 O ATOM 675 CB GLU A 39 -5.032 -4.101 -7.089 1.00 0.00 C ATOM 676 CG GLU A 39 -4.813 -3.934 -8.602 1.00 0.00 C ATOM 677 CD GLU A 39 -5.961 -4.529 -9.443 1.00 0.00 C ATOM 678 OE1 GLU A 39 -6.554 -5.567 -9.059 1.00 0.00 O ATOM 679 OE2 GLU A 39 -6.282 -3.956 -10.513 1.00 0.00 O ATOM 0 H GLU A 39 -4.998 -4.278 -4.634 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.981 -3.646 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.009 -5.162 -6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.026 -3.735 -6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.710 -2.874 -8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.876 -4.414 -8.884 1.00 0.00 H new ATOM 686 N ASP A 40 -5.039 -1.194 -5.799 1.00 0.00 N ATOM 687 CA ASP A 40 -5.194 0.251 -5.776 1.00 0.00 C ATOM 688 C ASP A 40 -3.966 0.959 -5.166 1.00 0.00 C ATOM 689 O ASP A 40 -3.528 1.984 -5.685 1.00 0.00 O ATOM 690 CB ASP A 40 -6.451 0.534 -4.945 1.00 0.00 C ATOM 691 CG ASP A 40 -7.778 0.523 -5.720 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.860 -0.011 -6.849 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.760 1.027 -5.137 1.00 0.00 O ATOM 0 H ASP A 40 -5.757 -1.679 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.285 0.637 -6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.511 -0.206 -4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.338 1.508 -4.468 1.00 0.00 H new ATOM 698 N GLU A 41 -3.373 0.413 -4.100 1.00 0.00 N ATOM 699 CA GLU A 41 -2.228 1.051 -3.433 1.00 0.00 C ATOM 700 C GLU A 41 -0.949 0.891 -4.257 1.00 0.00 C ATOM 701 O GLU A 41 -0.152 1.822 -4.342 1.00 0.00 O ATOM 702 CB GLU A 41 -1.966 0.501 -2.021 1.00 0.00 C ATOM 703 CG GLU A 41 -3.048 0.653 -0.940 1.00 0.00 C ATOM 704 CD GLU A 41 -3.613 2.052 -0.688 1.00 0.00 C ATOM 705 OE1 GLU A 41 -3.206 3.076 -1.298 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.547 2.155 0.144 1.00 0.00 O ATOM 0 H GLU A 41 -3.665 -0.469 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.496 2.104 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.749 -0.563 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.060 0.978 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.879 -0.001 -1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.637 0.284 -0.000 1.00 0.00 H new ATOM 713 N GLU A 42 -0.762 -0.254 -4.918 1.00 0.00 N ATOM 714 CA GLU A 42 0.327 -0.435 -5.879 1.00 0.00 C ATOM 715 C GLU A 42 0.219 0.568 -7.044 1.00 0.00 C ATOM 716 O GLU A 42 1.236 1.111 -7.482 1.00 0.00 O ATOM 717 CB GLU A 42 0.356 -1.893 -6.361 1.00 0.00 C ATOM 718 CG GLU A 42 1.627 -2.207 -7.160 1.00 0.00 C ATOM 719 CD GLU A 42 1.720 -3.711 -7.485 1.00 0.00 C ATOM 720 OE1 GLU A 42 1.177 -4.146 -8.531 1.00 0.00 O ATOM 721 OE2 GLU A 42 2.349 -4.467 -6.706 1.00 0.00 O ATOM 0 H GLU A 42 -1.356 -1.075 -4.803 1.00 0.00 H new ATOM 0 HA GLU A 42 1.276 -0.226 -5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.293 -2.561 -5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.519 -2.088 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.630 -1.631 -8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.504 -1.900 -6.590 1.00 0.00 H new ATOM 728 N LYS A 43 -1.005 0.892 -7.487 1.00 0.00 N ATOM 729 CA LYS A 43 -1.258 1.949 -8.479 1.00 0.00 C ATOM 730 C LYS A 43 -0.913 3.346 -7.950 1.00 0.00 C ATOM 731 O LYS A 43 -0.281 4.118 -8.665 1.00 0.00 O ATOM 732 CB LYS A 43 -2.716 1.881 -8.982 1.00 0.00 C ATOM 733 CG LYS A 43 -2.832 2.056 -10.504 1.00 0.00 C ATOM 734 CD LYS A 43 -2.360 0.803 -11.267 1.00 0.00 C ATOM 735 CE LYS A 43 -2.461 0.958 -12.792 1.00 0.00 C ATOM 736 NZ LYS A 43 -3.869 0.969 -13.273 1.00 0.00 N ATOM 0 H LYS A 43 -1.853 0.425 -7.165 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.592 1.768 -9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.149 0.922 -8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.302 2.655 -8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.868 2.271 -10.766 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.239 2.915 -10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.326 0.587 -10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.957 -0.053 -10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.971 1.884 -13.093 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.923 0.141 -13.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.882 1.076 -14.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.332 0.075 -13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.379 1.764 -12.837 1.00 0.00 H new ATOM 750 N HIS A 44 -1.238 3.673 -6.693 1.00 0.00 N ATOM 751 CA HIS A 44 -0.859 4.919 -6.059 1.00 0.00 C ATOM 752 C HIS A 44 0.660 5.063 -5.969 1.00 0.00 C ATOM 753 O HIS A 44 1.194 6.089 -6.377 1.00 0.00 O ATOM 754 CB HIS A 44 -1.504 4.935 -4.670 1.00 0.00 C ATOM 755 CG HIS A 44 -3.014 4.938 -4.620 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.802 4.844 -3.453 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.825 5.023 -5.711 1.00 0.00 C ATOM 758 CE1 HIS A 44 -5.079 4.855 -3.916 1.00 0.00 C ATOM 759 NE2 HIS A 44 -5.109 4.939 -5.255 1.00 0.00 N ATOM 0 H HIS A 44 -1.782 3.060 -6.086 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.207 5.766 -6.651 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.148 4.064 -4.120 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.145 5.816 -4.139 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.486 4.782 -2.485 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.513 5.135 -6.739 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.956 4.803 -3.288 1.00 0.00 H new ATOM 767 N ILE A 45 1.358 4.021 -5.504 1.00 0.00 N ATOM 768 CA ILE A 45 2.825 3.965 -5.458 1.00 0.00 C ATOM 769 C ILE A 45 3.429 4.125 -6.861 1.00 0.00 C ATOM 770 O ILE A 45 4.379 4.889 -7.011 1.00 0.00 O ATOM 771 CB ILE A 45 3.283 2.671 -4.731 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.526 2.921 -3.225 1.00 0.00 C ATOM 773 CG2 ILE A 45 4.575 2.060 -5.302 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.286 3.318 -2.420 1.00 0.00 C ATOM 0 H ILE A 45 0.912 3.178 -5.143 1.00 0.00 H new ATOM 0 HA ILE A 45 3.203 4.806 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 45 2.462 1.972 -4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.949 2.017 -2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.274 3.707 -3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.830 1.160 -4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.424 1.805 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.387 2.782 -5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.563 3.470 -1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.870 4.241 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.541 2.525 -2.486 1.00 0.00 H new ATOM 786 N GLU A 46 2.872 3.491 -7.898 1.00 0.00 N ATOM 787 CA GLU A 46 3.335 3.652 -9.285 1.00 0.00 C ATOM 788 C GLU A 46 3.322 5.122 -9.735 1.00 0.00 C ATOM 789 O GLU A 46 4.288 5.594 -10.338 1.00 0.00 O ATOM 790 CB GLU A 46 2.495 2.759 -10.219 1.00 0.00 C ATOM 791 CG GLU A 46 2.871 2.817 -11.711 1.00 0.00 C ATOM 792 CD GLU A 46 4.283 2.288 -12.050 1.00 0.00 C ATOM 793 OE1 GLU A 46 4.899 1.551 -11.242 1.00 0.00 O ATOM 794 OE2 GLU A 46 4.774 2.575 -13.170 1.00 0.00 O ATOM 0 H GLU A 46 2.085 2.849 -7.801 1.00 0.00 H new ATOM 0 HA GLU A 46 4.376 3.332 -9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.583 1.727 -9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.447 3.041 -10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.138 2.242 -12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.796 3.850 -12.049 1.00 0.00 H new ATOM 801 N TRP A 47 2.271 5.875 -9.399 1.00 0.00 N ATOM 802 CA TRP A 47 2.148 7.295 -9.718 1.00 0.00 C ATOM 803 C TRP A 47 3.030 8.182 -8.824 1.00 0.00 C ATOM 804 O TRP A 47 3.655 9.129 -9.298 1.00 0.00 O ATOM 805 CB TRP A 47 0.681 7.699 -9.556 1.00 0.00 C ATOM 806 CG TRP A 47 -0.379 6.882 -10.245 1.00 0.00 C ATOM 807 CD1 TRP A 47 -0.242 6.093 -11.337 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.777 6.758 -9.851 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.449 5.473 -11.619 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.439 5.862 -10.738 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.543 7.321 -8.813 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.801 5.546 -10.593 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.911 7.029 -8.660 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.540 6.135 -9.547 1.00 0.00 C ATOM 0 H TRP A 47 1.469 5.506 -8.889 1.00 0.00 H new ATOM 0 HA TRP A 47 2.488 7.444 -10.743 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.455 7.700 -8.490 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.582 8.727 -9.903 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.669 5.966 -11.902 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.589 4.811 -12.383 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -2.068 7.995 -8.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.277 4.858 -11.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.477 7.490 -7.864 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.587 5.901 -9.426 1.00 0.00 H new ATOM 825 N LEU A 48 3.133 7.860 -7.537 1.00 0.00 N ATOM 826 CA LEU A 48 3.990 8.539 -6.559 1.00 0.00 C ATOM 827 C LEU A 48 5.482 8.436 -6.916 1.00 0.00 C ATOM 828 O LEU A 48 6.200 9.432 -6.874 1.00 0.00 O ATOM 829 CB LEU A 48 3.677 7.923 -5.186 1.00 0.00 C ATOM 830 CG LEU A 48 2.378 8.479 -4.576 1.00 0.00 C ATOM 831 CD1 LEU A 48 1.888 7.564 -3.460 1.00 0.00 C ATOM 832 CD2 LEU A 48 2.588 9.878 -3.989 1.00 0.00 C ATOM 0 H LEU A 48 2.603 7.090 -7.128 1.00 0.00 H new ATOM 0 HA LEU A 48 3.780 9.609 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.594 6.841 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.507 8.117 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 48 1.642 8.533 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.968 7.968 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.696 6.570 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.649 7.500 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.650 10.240 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.345 9.834 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.918 10.557 -4.775 1.00 0.00 H new ATOM 844 N GLU A 49 5.930 7.263 -7.362 1.00 0.00 N ATOM 845 CA GLU A 49 7.258 7.041 -7.958 1.00 0.00 C ATOM 846 C GLU A 49 7.431 7.799 -9.269 1.00 0.00 C ATOM 847 O GLU A 49 8.518 8.284 -9.580 1.00 0.00 O ATOM 848 CB GLU A 49 7.441 5.538 -8.223 1.00 0.00 C ATOM 849 CG GLU A 49 8.878 5.020 -8.057 1.00 0.00 C ATOM 850 CD GLU A 49 9.825 5.389 -9.218 1.00 0.00 C ATOM 851 OE1 GLU A 49 9.522 5.056 -10.390 1.00 0.00 O ATOM 852 OE2 GLU A 49 10.918 5.949 -8.955 1.00 0.00 O ATOM 0 H GLU A 49 5.367 6.413 -7.320 1.00 0.00 H new ATOM 0 HA GLU A 49 8.006 7.410 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.790 4.983 -7.547 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.107 5.320 -9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.289 5.416 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.851 3.935 -7.957 1.00 0.00 H new ATOM 859 N THR A 50 6.338 7.946 -10.017 1.00 0.00 N ATOM 860 CA THR A 50 6.364 8.626 -11.319 1.00 0.00 C ATOM 861 C THR A 50 6.564 10.135 -11.149 1.00 0.00 C ATOM 862 O THR A 50 7.264 10.780 -11.932 1.00 0.00 O ATOM 863 CB THR A 50 5.100 8.278 -12.114 1.00 0.00 C ATOM 864 OG1 THR A 50 5.153 6.934 -12.540 1.00 0.00 O ATOM 865 CG2 THR A 50 4.925 9.116 -13.362 1.00 0.00 C ATOM 0 H THR A 50 5.417 7.602 -9.745 1.00 0.00 H new ATOM 0 HA THR A 50 7.219 8.271 -11.894 1.00 0.00 H new ATOM 0 HB THR A 50 4.268 8.470 -11.436 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.784 6.355 -11.841 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.011 8.817 -13.876 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.859 10.169 -13.087 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.779 8.967 -14.023 1.00 0.00 H new ATOM 873 N ILE A 51 6.015 10.683 -10.066 1.00 0.00 N ATOM 874 CA ILE A 51 6.217 12.060 -9.594 1.00 0.00 C ATOM 875 C ILE A 51 7.596 12.280 -8.933 1.00 0.00 C ATOM 876 O ILE A 51 8.060 13.414 -8.805 1.00 0.00 O ATOM 877 CB ILE A 51 4.990 12.445 -8.718 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.893 13.155 -9.541 1.00 0.00 C ATOM 879 CG2 ILE A 51 5.296 13.364 -7.534 1.00 0.00 C ATOM 880 CD1 ILE A 51 3.275 12.301 -10.647 1.00 0.00 C ATOM 0 H ILE A 51 5.385 10.156 -9.461 1.00 0.00 H new ATOM 0 HA ILE A 51 6.259 12.749 -10.437 1.00 0.00 H new ATOM 0 HB ILE A 51 4.660 11.479 -8.336 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.102 13.478 -8.865 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.317 14.054 -9.988 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.376 13.573 -6.988 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.010 12.876 -6.870 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.721 14.299 -7.899 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.515 12.880 -11.172 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.051 11.999 -11.350 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.817 11.414 -10.209 1.00 0.00 H new ATOM 892 N ASN A 52 8.293 11.197 -8.587 1.00 0.00 N ATOM 893 CA ASN A 52 9.583 11.176 -7.875 1.00 0.00 C ATOM 894 C ASN A 52 10.788 10.865 -8.802 1.00 0.00 C ATOM 895 O ASN A 52 11.753 10.206 -8.397 1.00 0.00 O ATOM 896 CB ASN A 52 9.458 10.207 -6.680 1.00 0.00 C ATOM 897 CG ASN A 52 10.568 10.342 -5.643 1.00 0.00 C ATOM 898 OD1 ASN A 52 11.325 11.303 -5.592 1.00 0.00 O ATOM 899 ND2 ASN A 52 10.682 9.384 -4.751 1.00 0.00 N ATOM 0 H ASN A 52 7.960 10.258 -8.805 1.00 0.00 H new ATOM 0 HA ASN A 52 9.804 12.175 -7.499 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.498 10.374 -6.191 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.451 9.184 -7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.396 9.445 -4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.056 8.579 -4.784 1.00 0.00 H new ATOM 967 N LEU B 4 -7.440 -3.719 12.501 1.00 0.00 N ATOM 968 CA LEU B 4 -8.393 -2.952 11.679 1.00 0.00 C ATOM 969 C LEU B 4 -8.438 -1.449 12.000 1.00 0.00 C ATOM 970 O LEU B 4 -8.151 -0.649 11.110 1.00 0.00 O ATOM 971 CB LEU B 4 -9.761 -3.662 11.658 1.00 0.00 C ATOM 972 CG LEU B 4 -10.437 -3.816 13.033 1.00 0.00 C ATOM 973 CD1 LEU B 4 -11.598 -2.836 13.190 1.00 0.00 C ATOM 974 CD2 LEU B 4 -10.974 -5.233 13.232 1.00 0.00 C ATOM 0 HA LEU B 4 -8.025 -2.947 10.653 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -10.431 -3.107 11.001 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -9.633 -4.652 11.220 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.674 -3.605 13.782 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -12.056 -2.968 14.170 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -11.227 -1.815 13.097 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -12.341 -3.024 12.415 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -11.445 -5.309 14.212 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -11.708 -5.456 12.458 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.152 -5.946 13.168 1.00 0.00 H new ATOM 986 N ARG B 5 -8.643 -1.051 13.268 1.00 0.00 N ATOM 987 CA ARG B 5 -8.454 0.338 13.756 1.00 0.00 C ATOM 988 C ARG B 5 -7.056 0.877 13.442 1.00 0.00 C ATOM 989 O ARG B 5 -6.896 2.069 13.184 1.00 0.00 O ATOM 990 CB ARG B 5 -8.693 0.381 15.277 1.00 0.00 C ATOM 991 CG ARG B 5 -10.186 0.458 15.623 1.00 0.00 C ATOM 992 CD ARG B 5 -10.384 0.463 17.144 1.00 0.00 C ATOM 993 NE ARG B 5 -11.730 0.951 17.509 1.00 0.00 N ATOM 994 CZ ARG B 5 -12.610 0.392 18.321 1.00 0.00 C ATOM 995 NH1 ARG B 5 -12.408 -0.762 18.892 1.00 0.00 N ATOM 996 NH2 ARG B 5 -13.732 1.001 18.581 1.00 0.00 N ATOM 0 H ARG B 5 -8.950 -1.692 14.000 1.00 0.00 H new ATOM 0 HA ARG B 5 -9.174 0.972 13.238 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -8.260 -0.507 15.737 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -8.178 1.243 15.701 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -10.620 1.360 15.191 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -10.711 -0.390 15.184 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -10.242 -0.545 17.535 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -9.627 1.095 17.609 1.00 0.00 H new ATOM 0 HE ARG B 5 -12.016 1.831 17.080 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -11.542 -1.272 18.719 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -13.116 -1.155 19.512 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -13.930 1.908 18.158 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -14.412 0.571 19.208 1.00 0.00 H new ATOM 1010 N GLU B 6 -6.040 0.016 13.476 1.00 0.00 N ATOM 1011 CA GLU B 6 -4.651 0.392 13.192 1.00 0.00 C ATOM 1012 C GLU B 6 -4.438 0.717 11.703 1.00 0.00 C ATOM 1013 O GLU B 6 -3.862 1.752 11.369 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.719 -0.755 13.634 1.00 0.00 C ATOM 1015 CG GLU B 6 -2.232 -0.368 13.684 1.00 0.00 C ATOM 1016 CD GLU B 6 -1.898 0.489 14.924 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -2.227 1.699 14.944 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -1.305 -0.046 15.893 1.00 0.00 O ATOM 0 H GLU B 6 -6.156 -0.972 13.703 1.00 0.00 H new ATOM 0 HA GLU B 6 -4.416 1.297 13.752 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -4.027 -1.100 14.621 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.843 -1.594 12.950 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.622 -1.272 13.693 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.971 0.184 12.781 1.00 0.00 H new ATOM 1025 N LEU B 7 -4.953 -0.139 10.809 1.00 0.00 N ATOM 1026 CA LEU B 7 -4.823 0.013 9.351 1.00 0.00 C ATOM 1027 C LEU B 7 -5.445 1.334 8.884 1.00 0.00 C ATOM 1028 O LEU B 7 -4.793 2.137 8.221 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.503 -1.159 8.604 1.00 0.00 C ATOM 1030 CG LEU B 7 -5.088 -2.582 9.005 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -5.693 -3.585 8.022 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -3.580 -2.793 9.023 1.00 0.00 C ATOM 0 H LEU B 7 -5.480 -0.969 11.082 1.00 0.00 H new ATOM 0 HA LEU B 7 -3.758 0.012 9.119 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.580 -1.069 8.744 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.309 -1.038 7.538 1.00 0.00 H new ATOM 0 HG LEU B 7 -5.457 -2.732 10.020 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -5.399 -4.595 8.306 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -6.780 -3.504 8.042 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -5.332 -3.371 7.016 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.360 -3.820 9.315 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -3.174 -2.603 8.029 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -3.125 -2.107 9.738 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.696 1.550 9.300 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.571 2.683 8.979 1.00 0.00 C ATOM 1046 C TYR B 8 -6.917 4.039 9.234 1.00 0.00 C ATOM 1047 O TYR B 8 -7.059 4.961 8.431 1.00 0.00 O ATOM 1048 CB TYR B 8 -8.808 2.527 9.904 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.150 2.982 9.361 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.366 4.330 9.014 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.216 2.062 9.285 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.640 4.760 8.598 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.491 2.489 8.867 1.00 0.00 C ATOM 1054 CZ TYR B 8 -12.708 3.840 8.529 1.00 0.00 C ATOM 1055 OH TYR B 8 -13.952 4.256 8.170 1.00 0.00 O ATOM 0 H TYR B 8 -7.160 0.885 9.919 1.00 0.00 H new ATOM 0 HA TYR B 8 -7.818 2.666 7.917 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -8.894 1.475 10.176 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.612 3.079 10.823 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.551 5.036 9.067 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -11.054 1.027 9.548 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -11.800 5.794 8.332 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.304 1.780 8.805 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.433 3.518 7.741 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.191 4.166 10.348 1.00 0.00 N ATOM 1066 CA LYS B 9 -5.511 5.416 10.713 1.00 0.00 C ATOM 1067 C LYS B 9 -4.437 5.821 9.715 1.00 0.00 C ATOM 1068 O LYS B 9 -4.530 6.901 9.140 1.00 0.00 O ATOM 1069 CB LYS B 9 -4.969 5.354 12.160 1.00 0.00 C ATOM 1070 CG LYS B 9 -5.771 6.254 13.117 1.00 0.00 C ATOM 1071 CD LYS B 9 -7.120 5.654 13.556 1.00 0.00 C ATOM 1072 CE LYS B 9 -7.093 5.089 14.986 1.00 0.00 C ATOM 1073 NZ LYS B 9 -6.113 3.983 15.146 1.00 0.00 N ATOM 0 H LYS B 9 -6.057 3.411 11.020 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.261 6.206 10.674 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -5.004 4.324 12.516 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -3.922 5.658 12.168 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -5.168 6.454 14.003 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -5.952 7.213 12.632 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -7.891 6.422 13.490 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -7.400 4.860 12.864 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -6.849 5.890 15.684 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -8.088 4.729 15.249 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -6.183 3.594 16.108 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -6.318 3.235 14.454 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -5.151 4.346 14.989 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.459 4.962 9.456 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.426 5.202 8.460 1.00 0.00 C ATOM 1089 C LEU B 10 -2.993 5.291 7.030 1.00 0.00 C ATOM 1090 O LEU B 10 -2.527 6.107 6.235 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.299 4.169 8.620 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.569 4.349 9.973 1.00 0.00 C ATOM 1093 CD1 LEU B 10 -1.136 3.496 11.108 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.917 4.032 9.825 1.00 0.00 C ATOM 0 H LEU B 10 -3.361 4.069 9.938 1.00 0.00 H new ATOM 0 HA LEU B 10 -1.991 6.186 8.636 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -1.712 3.162 8.557 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.587 4.273 7.802 1.00 0.00 H new ATOM 0 HG LEU B 10 -0.724 5.393 10.244 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -0.569 3.681 12.020 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.182 3.757 11.272 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.062 2.441 10.842 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.415 4.164 10.786 1.00 0.00 H new ATOM 0 HD22 LEU B 10 1.038 3.001 9.492 1.00 0.00 H new ATOM 0 HD23 LEU B 10 1.361 4.705 9.091 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.067 4.554 6.732 1.00 0.00 N ATOM 1107 CA GLU B 11 -4.901 4.745 5.540 1.00 0.00 C ATOM 1108 C GLU B 11 -5.496 6.162 5.434 1.00 0.00 C ATOM 1109 O GLU B 11 -5.494 6.726 4.335 1.00 0.00 O ATOM 1110 CB GLU B 11 -5.975 3.629 5.514 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.579 2.452 4.609 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.679 2.739 3.100 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -4.924 3.478 2.456 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.425 2.181 2.273 1.00 0.00 O ATOM 0 H GLU B 11 -4.389 3.790 7.326 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.276 4.660 4.651 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.140 3.264 6.528 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -6.920 4.047 5.168 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.555 2.160 4.842 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.215 1.599 4.846 1.00 0.00 H new ATOM 1121 N GLN B 12 -5.918 6.801 6.536 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.385 8.186 6.501 1.00 0.00 C ATOM 1123 C GLN B 12 -5.294 9.248 6.636 1.00 0.00 C ATOM 1124 O GLN B 12 -5.500 10.379 6.208 1.00 0.00 O ATOM 1125 CB GLN B 12 -7.464 8.390 7.557 1.00 0.00 C ATOM 1126 CG GLN B 12 -8.755 7.731 7.068 1.00 0.00 C ATOM 1127 CD GLN B 12 -9.946 8.027 7.976 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -10.985 8.507 7.545 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -9.848 7.779 9.265 1.00 0.00 N ATOM 0 H GLN B 12 -5.943 6.375 7.462 1.00 0.00 H new ATOM 0 HA GLN B 12 -6.789 8.333 5.499 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.152 7.954 8.506 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -7.625 9.454 7.733 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -8.977 8.079 6.059 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.608 6.653 7.008 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -8.990 7.379 9.644 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -10.631 7.987 9.885 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.121 8.912 7.161 1.00 0.00 N ATOM 1139 CA GLN B 13 -2.984 9.840 7.201 1.00 0.00 C ATOM 1140 C GLN B 13 -2.489 10.197 5.795 1.00 0.00 C ATOM 1141 O GLN B 13 -2.130 11.351 5.567 1.00 0.00 O ATOM 1142 CB GLN B 13 -1.835 9.277 8.056 1.00 0.00 C ATOM 1143 CG GLN B 13 -2.116 9.290 9.570 1.00 0.00 C ATOM 1144 CD GLN B 13 -1.963 10.664 10.232 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -2.127 11.719 9.633 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -1.636 10.712 11.507 1.00 0.00 N ATOM 0 H GLN B 13 -3.927 7.998 7.569 1.00 0.00 H new ATOM 0 HA GLN B 13 -3.339 10.759 7.668 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -1.631 8.253 7.743 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -0.932 9.856 7.859 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -3.130 8.929 9.742 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -1.440 8.588 10.058 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -1.493 9.848 12.030 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -1.525 11.613 11.972 1.00 0.00 H new ATOM 1155 N ALA B 14 -2.550 9.272 4.826 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.283 9.601 3.425 1.00 0.00 C ATOM 1157 C ALA B 14 -3.413 10.464 2.846 1.00 0.00 C ATOM 1158 O ALA B 14 -3.134 11.495 2.250 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.102 8.295 2.643 1.00 0.00 C ATOM 0 H ALA B 14 -2.782 8.292 4.990 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.369 10.189 3.345 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.902 8.523 1.596 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.264 7.735 3.059 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.011 7.698 2.717 1.00 0.00 H new ATOM 1165 N MET B 15 -4.682 10.118 3.092 1.00 0.00 N ATOM 1166 CA MET B 15 -5.848 10.947 2.695 1.00 0.00 C ATOM 1167 C MET B 15 -5.800 12.377 3.236 1.00 0.00 C ATOM 1168 O MET B 15 -6.201 13.314 2.549 1.00 0.00 O ATOM 1169 CB MET B 15 -7.163 10.324 3.188 1.00 0.00 C ATOM 1170 CG MET B 15 -7.558 9.071 2.409 1.00 0.00 C ATOM 1171 SD MET B 15 -9.273 9.093 1.830 1.00 0.00 S ATOM 1172 CE MET B 15 -9.122 10.421 0.600 1.00 0.00 C ATOM 0 H MET B 15 -4.940 9.256 3.572 1.00 0.00 H new ATOM 0 HA MET B 15 -5.803 10.981 1.606 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.066 10.073 4.244 1.00 0.00 H new ATOM 0 HB3 MET B 15 -7.961 11.062 3.107 1.00 0.00 H new ATOM 0 HG2 MET B 15 -6.894 8.962 1.551 1.00 0.00 H new ATOM 0 HG3 MET B 15 -7.408 8.196 3.042 1.00 0.00 H new ATOM 0 HE1 MET B 15 -9.967 10.379 -0.087 1.00 0.00 H new ATOM 0 HE2 MET B 15 -9.114 11.386 1.106 1.00 0.00 H new ATOM 0 HE3 MET B 15 -8.194 10.296 0.042 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.306 12.572 4.458 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.194 13.898 5.061 1.00 0.00 C ATOM 1184 C LYS B 16 -3.983 14.674 4.575 1.00 0.00 C ATOM 1185 O LYS B 16 -4.065 15.889 4.401 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.168 13.742 6.573 1.00 0.00 C ATOM 1187 CG LYS B 16 -6.595 13.471 7.071 1.00 0.00 C ATOM 1188 CD LYS B 16 -6.604 13.092 8.549 1.00 0.00 C ATOM 1189 CE LYS B 16 -8.057 12.907 8.998 1.00 0.00 C ATOM 1190 NZ LYS B 16 -8.151 12.462 10.414 1.00 0.00 N ATOM 0 H LYS B 16 -4.973 11.816 5.056 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.060 14.484 4.754 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -4.508 12.922 6.856 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.772 14.645 7.038 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -7.211 14.357 6.917 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -7.041 12.667 6.485 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -6.039 12.173 8.707 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -6.121 13.869 9.142 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -8.596 13.847 8.877 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -8.545 12.174 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -9.151 12.349 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -7.659 11.553 10.525 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -7.709 13.173 11.031 1.00 0.00 H new ATOM 1204 N LEU B 17 -2.902 13.964 4.263 1.00 0.00 N ATOM 1205 CA LEU B 17 -1.818 14.502 3.455 1.00 0.00 C ATOM 1206 C LEU B 17 -2.346 14.962 2.088 1.00 0.00 C ATOM 1207 O LEU B 17 -2.132 16.110 1.728 1.00 0.00 O ATOM 1208 CB LEU B 17 -0.699 13.446 3.392 1.00 0.00 C ATOM 1209 CG LEU B 17 0.381 13.724 4.451 1.00 0.00 C ATOM 1210 CD1 LEU B 17 1.273 12.503 4.631 1.00 0.00 C ATOM 1211 CD2 LEU B 17 1.278 14.910 4.083 1.00 0.00 C ATOM 0 H LEU B 17 -2.756 13.001 4.564 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.388 15.399 3.901 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.121 12.454 3.550 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.249 13.447 2.399 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.152 13.961 5.372 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.032 12.715 5.384 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.669 11.655 4.954 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.757 12.263 3.684 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.022 15.060 4.866 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.782 14.706 3.138 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.670 15.809 3.983 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.148 14.150 1.396 1.00 0.00 N ATOM 1224 CA TYR B 18 -3.849 14.492 0.157 1.00 0.00 C ATOM 1225 C TYR B 18 -4.772 15.724 0.270 1.00 0.00 C ATOM 1226 O TYR B 18 -4.723 16.595 -0.603 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.570 13.214 -0.337 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.654 12.222 -1.038 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -2.811 12.666 -2.070 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.589 10.878 -0.621 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -1.830 11.816 -2.607 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -2.601 10.022 -1.143 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.701 10.504 -2.116 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.720 9.709 -2.604 1.00 0.00 O ATOM 0 H TYR B 18 -3.335 13.194 1.698 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.123 14.816 -0.589 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -5.039 12.721 0.514 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.370 13.501 -1.020 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -2.918 13.670 -2.454 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -4.299 10.503 0.101 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.178 12.168 -3.393 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.532 9.000 -0.800 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.125 9.438 -1.874 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.546 15.872 1.359 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.388 17.061 1.631 1.00 0.00 C ATOM 1246 C ARG B 19 -5.611 18.380 1.767 1.00 0.00 C ATOM 1247 O ARG B 19 -6.162 19.433 1.453 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.255 16.836 2.887 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.476 15.939 2.616 1.00 0.00 C ATOM 1250 CD ARG B 19 -9.302 15.662 3.882 1.00 0.00 C ATOM 1251 NE ARG B 19 -9.916 16.890 4.434 1.00 0.00 N ATOM 1252 CZ ARG B 19 -10.685 16.979 5.507 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -11.023 15.935 6.209 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -11.138 18.135 5.899 1.00 0.00 N ATOM 0 H ARG B 19 -5.609 15.162 2.088 1.00 0.00 H new ATOM 0 HA ARG B 19 -7.017 17.171 0.747 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -6.644 16.384 3.668 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -7.595 17.800 3.266 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -9.112 16.414 1.869 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -8.139 14.993 2.193 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -10.085 14.940 3.651 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -8.662 15.207 4.638 1.00 0.00 H new ATOM 0 HE ARG B 19 -9.726 17.759 3.935 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -10.693 15.009 5.937 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -11.618 16.044 7.030 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -10.901 18.979 5.378 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -11.730 18.196 6.727 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.350 18.344 2.199 1.00 0.00 N ATOM 1269 CA GLU B 20 -3.526 19.547 2.441 1.00 0.00 C ATOM 1270 C GLU B 20 -2.505 19.797 1.329 1.00 0.00 C ATOM 1271 O GLU B 20 -2.300 20.930 0.890 1.00 0.00 O ATOM 1272 CB GLU B 20 -2.798 19.393 3.783 1.00 0.00 C ATOM 1273 CG GLU B 20 -2.618 20.750 4.478 1.00 0.00 C ATOM 1274 CD GLU B 20 -1.984 20.589 5.872 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -2.729 20.379 6.861 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -0.739 20.694 5.996 1.00 0.00 O ATOM 0 H GLU B 20 -3.859 17.472 2.396 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.195 20.407 2.459 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.363 18.722 4.431 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.823 18.933 3.620 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -1.990 21.395 3.863 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -3.585 21.243 4.572 1.00 0.00 H new ATOM 1283 N ALA B 21 -1.942 18.715 0.803 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.179 18.696 -0.440 1.00 0.00 C ATOM 1285 C ALA B 21 -1.969 19.330 -1.592 1.00 0.00 C ATOM 1286 O ALA B 21 -1.396 20.096 -2.356 1.00 0.00 O ATOM 1287 CB ALA B 21 -0.772 17.257 -0.775 1.00 0.00 C ATOM 0 H ALA B 21 -2.006 17.797 1.244 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.278 19.294 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.202 17.247 -1.704 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.158 16.855 0.031 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -1.666 16.644 -0.891 1.00 0.00 H new ATOM 1293 N SER B 22 -3.286 19.099 -1.684 1.00 0.00 N ATOM 1294 CA SER B 22 -4.163 19.746 -2.676 1.00 0.00 C ATOM 1295 C SER B 22 -4.303 21.271 -2.490 1.00 0.00 C ATOM 1296 O SER B 22 -4.583 21.982 -3.456 1.00 0.00 O ATOM 1297 CB SER B 22 -5.544 19.078 -2.636 1.00 0.00 C ATOM 1298 OG SER B 22 -6.363 19.524 -3.704 1.00 0.00 O ATOM 0 H SER B 22 -3.779 18.453 -1.068 1.00 0.00 H new ATOM 0 HA SER B 22 -3.693 19.610 -3.650 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.428 17.996 -2.691 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.030 19.299 -1.686 1.00 0.00 H new ATOM 0 HG SER B 22 -7.236 19.081 -3.654 1.00 0.00 H new ATOM 1304 N GLU B 23 -4.102 21.802 -1.278 1.00 0.00 N ATOM 1305 CA GLU B 23 -4.103 23.251 -1.009 1.00 0.00 C ATOM 1306 C GLU B 23 -2.806 23.912 -1.513 1.00 0.00 C ATOM 1307 O GLU B 23 -2.838 24.983 -2.123 1.00 0.00 O ATOM 1308 CB GLU B 23 -4.257 23.482 0.504 1.00 0.00 C ATOM 1309 CG GLU B 23 -4.744 24.891 0.871 1.00 0.00 C ATOM 1310 CD GLU B 23 -6.215 25.125 0.469 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -7.129 24.739 1.238 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -6.468 25.709 -0.613 1.00 0.00 O ATOM 0 H GLU B 23 -3.932 21.236 -0.447 1.00 0.00 H new ATOM 0 HA GLU B 23 -4.938 23.705 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -4.959 22.750 0.904 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -3.297 23.302 0.989 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -4.635 25.043 1.945 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -4.113 25.631 0.379 1.00 0.00 H new ATOM 1319 N LYS B 24 -1.660 23.256 -1.282 1.00 0.00 N ATOM 1320 CA LYS B 24 -0.333 23.700 -1.757 1.00 0.00 C ATOM 1321 C LYS B 24 -0.176 23.493 -3.268 1.00 0.00 C ATOM 1322 O LYS B 24 0.157 24.428 -3.998 1.00 0.00 O ATOM 1323 CB LYS B 24 0.790 22.990 -0.966 1.00 0.00 C ATOM 1324 CG LYS B 24 1.176 23.739 0.322 1.00 0.00 C ATOM 1325 CD LYS B 24 0.174 23.602 1.485 1.00 0.00 C ATOM 1326 CE LYS B 24 0.244 24.790 2.454 1.00 0.00 C ATOM 1327 NZ LYS B 24 -0.403 26.008 1.890 1.00 0.00 N ATOM 0 H LYS B 24 -1.624 22.386 -0.751 1.00 0.00 H new ATOM 0 HA LYS B 24 -0.250 24.771 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS B 24 0.467 21.981 -0.711 1.00 0.00 H new ATOM 0 HB3 LYS B 24 1.670 22.892 -1.602 1.00 0.00 H new ATOM 0 HG2 LYS B 24 2.148 23.377 0.656 1.00 0.00 H new ATOM 0 HG3 LYS B 24 1.293 24.797 0.087 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -0.836 23.521 1.084 1.00 0.00 H new ATOM 0 HD3 LYS B 24 0.376 22.679 2.029 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -0.242 24.522 3.392 1.00 0.00 H new ATOM 0 HE3 LYS B 24 1.286 25.008 2.686 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 0.064 26.856 2.269 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -0.317 25.999 0.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -1.409 26.020 2.153 1.00 0.00 H new ATOM 1341 N ALA B 25 -0.506 22.300 -3.757 1.00 0.00 N ATOM 1342 CA ALA B 25 -0.602 21.935 -5.169 1.00 0.00 C ATOM 1343 C ALA B 25 -1.924 22.405 -5.807 1.00 0.00 C ATOM 1344 O ALA B 25 -2.604 21.640 -6.493 1.00 0.00 O ATOM 1345 CB ALA B 25 -0.409 20.421 -5.317 1.00 0.00 C ATOM 0 H ALA B 25 -0.727 21.516 -3.143 1.00 0.00 H new ATOM 0 HA ALA B 25 0.191 22.450 -5.711 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -0.480 20.146 -6.369 1.00 0.00 H new ATOM 0 HB2 ALA B 25 0.572 20.140 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -1.182 19.899 -4.753 1.00 0.00 H new ATOM 1351 N ARG B 26 -2.304 23.672 -5.590 1.00 0.00 N ATOM 1352 CA ARG B 26 -3.484 24.297 -6.213 1.00 0.00 C ATOM 1353 C ARG B 26 -3.449 24.329 -7.757 1.00 0.00 C ATOM 1354 O ARG B 26 -4.469 24.589 -8.392 1.00 0.00 O ATOM 1355 CB ARG B 26 -3.752 25.669 -5.554 1.00 0.00 C ATOM 1356 CG ARG B 26 -2.599 26.698 -5.520 1.00 0.00 C ATOM 1357 CD ARG B 26 -1.982 27.002 -6.893 1.00 0.00 C ATOM 1358 NE ARG B 26 -1.224 28.269 -6.909 1.00 0.00 N ATOM 1359 CZ ARG B 26 0.069 28.443 -6.693 1.00 0.00 C ATOM 1360 NH1 ARG B 26 0.852 27.480 -6.289 1.00 0.00 N ATOM 1361 NH2 ARG B 26 0.610 29.611 -6.888 1.00 0.00 N ATOM 0 H ARG B 26 -1.795 24.301 -4.969 1.00 0.00 H new ATOM 0 HA ARG B 26 -4.343 23.657 -6.014 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -4.594 26.129 -6.072 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -4.069 25.489 -4.527 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -2.970 27.627 -5.088 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -1.817 26.328 -4.857 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -1.321 26.184 -7.179 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -2.774 27.048 -7.641 1.00 0.00 H new ATOM 0 HE ARG B 26 -1.762 29.111 -7.111 1.00 0.00 H new ATOM 0 HH11 ARG B 26 0.472 26.547 -6.127 1.00 0.00 H new ATOM 0 HH12 ARG B 26 1.844 27.660 -6.135 1.00 0.00 H new ATOM 0 HH21 ARG B 26 0.037 30.392 -7.207 1.00 0.00 H new ATOM 0 HH22 ARG B 26 1.607 29.745 -6.721 1.00 0.00 H new ATOM 1375 N ASN B 27 -2.284 24.059 -8.358 1.00 0.00 N ATOM 1376 CA ASN B 27 -2.073 23.903 -9.797 1.00 0.00 C ATOM 1377 C ASN B 27 -2.865 22.690 -10.351 1.00 0.00 C ATOM 1378 O ASN B 27 -2.786 21.600 -9.774 1.00 0.00 O ATOM 1379 CB ASN B 27 -0.554 23.755 -10.023 1.00 0.00 C ATOM 1380 CG ASN B 27 -0.178 23.664 -11.494 1.00 0.00 C ATOM 1381 OD1 ASN B 27 -0.531 22.723 -12.189 1.00 0.00 O ATOM 1382 ND2 ASN B 27 0.527 24.636 -12.024 1.00 0.00 N ATOM 0 H ASN B 27 -1.423 23.938 -7.825 1.00 0.00 H new ATOM 0 HA ASN B 27 -2.445 24.773 -10.338 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -0.041 24.606 -9.575 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -0.201 22.862 -9.507 1.00 0.00 H new ATOM 0 HD21 ASN B 27 0.778 24.604 -13.012 1.00 0.00 H new ATOM 0 HD22 ASN B 27 0.824 25.424 -11.448 1.00 0.00 H new ATOM 1389 N PRO B 28 -3.593 22.828 -11.477 1.00 0.00 N ATOM 1390 CA PRO B 28 -4.506 21.797 -11.978 1.00 0.00 C ATOM 1391 C PRO B 28 -3.815 20.518 -12.474 1.00 0.00 C ATOM 1392 O PRO B 28 -4.478 19.489 -12.606 1.00 0.00 O ATOM 1393 CB PRO B 28 -5.309 22.472 -13.095 1.00 0.00 C ATOM 1394 CG PRO B 28 -4.351 23.539 -13.617 1.00 0.00 C ATOM 1395 CD PRO B 28 -3.638 23.996 -12.347 1.00 0.00 C ATOM 0 HA PRO B 28 -5.136 21.440 -11.163 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.587 21.764 -13.876 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.233 22.910 -12.718 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.653 23.134 -14.350 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -4.882 24.359 -14.101 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.634 24.357 -12.570 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -4.174 24.818 -11.872 1.00 0.00 H new ATOM 1403 N GLU B 29 -2.503 20.549 -12.728 1.00 0.00 N ATOM 1404 CA GLU B 29 -1.731 19.366 -13.139 1.00 0.00 C ATOM 1405 C GLU B 29 -1.711 18.306 -12.031 1.00 0.00 C ATOM 1406 O GLU B 29 -2.295 17.227 -12.158 1.00 0.00 O ATOM 1407 CB GLU B 29 -0.310 19.788 -13.556 1.00 0.00 C ATOM 1408 CG GLU B 29 0.487 18.635 -14.181 1.00 0.00 C ATOM 1409 CD GLU B 29 1.891 19.105 -14.607 1.00 0.00 C ATOM 1410 OE1 GLU B 29 2.061 19.560 -15.766 1.00 0.00 O ATOM 1411 OE2 GLU B 29 2.841 19.015 -13.789 1.00 0.00 O ATOM 0 H GLU B 29 -1.942 21.398 -12.655 1.00 0.00 H new ATOM 0 HA GLU B 29 -2.216 18.909 -14.002 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -0.373 20.610 -14.269 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.225 20.164 -12.683 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.574 17.818 -13.465 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.048 18.245 -15.046 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.101 18.658 -10.897 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.054 17.819 -9.689 1.00 0.00 C ATOM 1420 C LYS B 30 -2.448 17.610 -9.096 1.00 0.00 C ATOM 1421 O LYS B 30 -2.763 16.487 -8.701 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.063 18.425 -8.677 1.00 0.00 C ATOM 1423 CG LYS B 30 0.159 17.598 -7.388 1.00 0.00 C ATOM 1424 CD LYS B 30 0.789 16.202 -7.570 1.00 0.00 C ATOM 1425 CE LYS B 30 2.329 16.189 -7.526 1.00 0.00 C ATOM 1426 NZ LYS B 30 2.965 16.865 -8.690 1.00 0.00 N ATOM 0 H LYS B 30 -0.616 19.549 -10.787 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.693 16.826 -9.958 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.899 18.560 -9.172 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.418 19.416 -8.396 1.00 0.00 H new ATOM 0 HG2 LYS B 30 0.795 18.175 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -0.803 17.477 -6.890 1.00 0.00 H new ATOM 0 HD2 LYS B 30 0.410 15.541 -6.791 1.00 0.00 H new ATOM 0 HD3 LYS B 30 0.461 15.790 -8.525 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.662 16.674 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS B 30 2.674 15.156 -7.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 3.971 16.606 -8.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.491 16.566 -9.566 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 2.877 17.896 -8.583 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.319 18.632 -9.125 1.00 0.00 N ATOM 1441 CA LYS B 31 -4.726 18.558 -8.672 1.00 0.00 C ATOM 1442 C LYS B 31 -5.633 17.648 -9.526 1.00 0.00 C ATOM 1443 O LYS B 31 -6.794 17.445 -9.179 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.276 19.984 -8.475 1.00 0.00 C ATOM 1445 CG LYS B 31 -6.474 20.055 -7.513 1.00 0.00 C ATOM 1446 CD LYS B 31 -6.707 21.496 -7.031 1.00 0.00 C ATOM 1447 CE LYS B 31 -7.915 21.603 -6.089 1.00 0.00 C ATOM 1448 NZ LYS B 31 -9.211 21.491 -6.810 1.00 0.00 N ATOM 0 H LYS B 31 -3.062 19.556 -9.472 1.00 0.00 H new ATOM 0 HA LYS B 31 -4.734 18.050 -7.708 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -4.478 20.623 -8.096 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -5.574 20.386 -9.443 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.369 19.686 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.296 19.405 -6.656 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.815 21.855 -6.518 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.861 22.145 -7.893 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.854 20.819 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.877 22.556 -5.562 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -9.994 21.569 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.285 22.254 -7.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.262 20.571 -7.292 1.00 0.00 H new ATOM 1462 N SER B 32 -5.093 17.029 -10.580 1.00 0.00 N ATOM 1463 CA SER B 32 -5.736 15.966 -11.372 1.00 0.00 C ATOM 1464 C SER B 32 -4.893 14.672 -11.435 1.00 0.00 C ATOM 1465 O SER B 32 -5.148 13.776 -12.240 1.00 0.00 O ATOM 1466 CB SER B 32 -6.088 16.523 -12.759 1.00 0.00 C ATOM 1467 OG SER B 32 -7.144 15.789 -13.358 1.00 0.00 O ATOM 0 H SER B 32 -4.160 17.261 -10.921 1.00 0.00 H new ATOM 0 HA SER B 32 -6.657 15.664 -10.874 1.00 0.00 H new ATOM 0 HB2 SER B 32 -6.376 17.571 -12.670 1.00 0.00 H new ATOM 0 HB3 SER B 32 -5.208 16.488 -13.401 1.00 0.00 H new ATOM 0 HG SER B 32 -6.977 14.829 -13.251 1.00 0.00 H new ATOM 1473 N VAL B 33 -3.913 14.541 -10.528 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.118 13.322 -10.284 1.00 0.00 C ATOM 1475 C VAL B 33 -3.344 12.831 -8.854 1.00 0.00 C ATOM 1476 O VAL B 33 -3.738 11.679 -8.664 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.620 13.575 -10.566 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -0.718 12.415 -10.119 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.376 13.792 -12.064 1.00 0.00 C ATOM 0 H VAL B 33 -3.640 15.312 -9.918 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.448 12.542 -10.970 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.365 14.464 -9.990 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.321 12.654 -10.345 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.830 12.260 -9.046 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.004 11.506 -10.649 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.314 13.968 -12.238 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.692 12.907 -12.616 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.948 14.655 -12.404 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.206 13.698 -7.840 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.469 13.334 -6.454 1.00 0.00 C ATOM 1491 C LEU B 34 -4.981 13.173 -6.180 1.00 0.00 C ATOM 1492 O LEU B 34 -5.370 12.491 -5.234 1.00 0.00 O ATOM 1493 CB LEU B 34 -2.694 14.315 -5.543 1.00 0.00 C ATOM 1494 CG LEU B 34 -3.516 15.432 -4.899 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -2.706 16.184 -3.838 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -4.036 16.496 -5.855 1.00 0.00 C ATOM 0 H LEU B 34 -2.910 14.666 -7.965 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.090 12.340 -6.218 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.216 13.741 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.897 14.771 -6.131 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.366 14.893 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.321 16.971 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.396 15.490 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.824 16.627 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.605 17.240 -5.297 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.196 16.980 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.680 16.031 -6.601 1.00 0.00 H new ATOM 1508 N GLN B 35 -5.842 13.737 -7.040 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.296 13.603 -6.946 1.00 0.00 C ATOM 1510 C GLN B 35 -7.782 12.197 -7.334 1.00 0.00 C ATOM 1511 O GLN B 35 -8.717 11.682 -6.718 1.00 0.00 O ATOM 1512 CB GLN B 35 -7.938 14.719 -7.790 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.478 14.731 -7.804 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.125 13.886 -8.909 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -9.483 13.205 -9.696 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -11.435 13.917 -9.027 1.00 0.00 N ATOM 0 H GLN B 35 -5.539 14.306 -7.830 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.609 13.721 -5.908 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -7.587 15.681 -7.417 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -7.583 14.626 -8.816 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -9.838 14.375 -6.838 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -9.817 15.761 -7.910 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -11.992 14.478 -8.382 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -11.894 13.380 -9.763 1.00 0.00 H new ATOM 1525 N LYS B 36 -7.130 11.531 -8.299 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.489 10.155 -8.687 1.00 0.00 C ATOM 1527 C LYS B 36 -7.069 9.136 -7.635 1.00 0.00 C ATOM 1528 O LYS B 36 -7.820 8.199 -7.365 1.00 0.00 O ATOM 1529 CB LYS B 36 -6.898 9.786 -10.058 1.00 0.00 C ATOM 1530 CG LYS B 36 -7.365 10.734 -11.176 1.00 0.00 C ATOM 1531 CD LYS B 36 -7.023 10.212 -12.581 1.00 0.00 C ATOM 1532 CE LYS B 36 -7.938 9.046 -12.980 1.00 0.00 C ATOM 1533 NZ LYS B 36 -7.645 8.558 -14.354 1.00 0.00 N ATOM 0 H LYS B 36 -6.350 11.922 -8.827 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.576 10.125 -8.762 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -5.810 9.808 -9.999 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -7.183 8.764 -10.310 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -8.443 10.876 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -6.903 11.711 -11.034 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -7.123 11.020 -13.306 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -5.983 9.887 -12.607 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -7.815 8.228 -12.270 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -8.979 9.365 -12.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -8.284 7.771 -14.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -7.787 9.331 -15.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -6.659 8.230 -14.403 1.00 0.00 H new ATOM 1547 N ILE B 37 -5.927 9.368 -6.980 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.572 8.669 -5.741 1.00 0.00 C ATOM 1549 C ILE B 37 -6.637 8.956 -4.687 1.00 0.00 C ATOM 1550 O ILE B 37 -7.242 8.002 -4.228 1.00 0.00 O ATOM 1551 CB ILE B 37 -4.172 9.092 -5.235 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -3.042 8.731 -6.211 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.940 8.521 -3.825 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.641 9.227 -5.825 1.00 0.00 C ATOM 0 H ILE B 37 -5.227 10.041 -7.291 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.531 7.598 -5.938 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.149 10.180 -5.178 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -3.008 7.646 -6.312 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.292 9.135 -7.192 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.954 8.819 -3.469 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.702 8.905 -3.147 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -4.000 7.433 -3.859 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.923 8.916 -6.584 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.647 10.315 -5.755 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.358 8.803 -4.862 1.00 0.00 H new ATOM 1566 N LEU B 38 -6.927 10.210 -4.311 1.00 0.00 N ATOM 1567 CA LEU B 38 -7.860 10.456 -3.201 1.00 0.00 C ATOM 1568 C LEU B 38 -9.273 9.875 -3.442 1.00 0.00 C ATOM 1569 O LEU B 38 -9.910 9.442 -2.484 1.00 0.00 O ATOM 1570 CB LEU B 38 -7.778 11.905 -2.680 1.00 0.00 C ATOM 1571 CG LEU B 38 -8.756 12.886 -3.325 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -10.117 12.941 -2.620 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -8.189 14.309 -3.296 1.00 0.00 C ATOM 0 H LEU B 38 -6.542 11.049 -4.745 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.524 9.866 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.953 11.897 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -6.764 12.273 -2.836 1.00 0.00 H new ATOM 0 HG LEU B 38 -8.895 12.521 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -10.762 13.657 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -10.580 11.954 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -9.978 13.251 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -8.900 14.993 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.016 14.611 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.248 14.337 -3.845 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.739 9.767 -4.694 1.00 0.00 N ATOM 1586 CA GLU B 39 -11.011 9.097 -5.006 1.00 0.00 C ATOM 1587 C GLU B 39 -10.960 7.562 -4.854 1.00 0.00 C ATOM 1588 O GLU B 39 -11.875 6.968 -4.282 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.464 9.512 -6.416 1.00 0.00 C ATOM 1590 CG GLU B 39 -12.886 9.037 -6.739 1.00 0.00 C ATOM 1591 CD GLU B 39 -13.368 9.607 -8.086 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -13.118 8.977 -9.143 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -14.019 10.682 -8.098 1.00 0.00 O ATOM 0 H GLU B 39 -9.252 10.136 -5.511 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.744 9.424 -4.269 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.418 10.597 -6.504 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.772 9.103 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.910 7.948 -6.772 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -13.566 9.347 -5.945 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.875 6.916 -5.287 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.557 5.513 -4.993 1.00 0.00 C ATOM 1602 C ASP B 40 -9.391 5.264 -3.485 1.00 0.00 C ATOM 1603 O ASP B 40 -9.763 4.222 -2.952 1.00 0.00 O ATOM 1604 CB ASP B 40 -8.208 5.215 -5.675 1.00 0.00 C ATOM 1605 CG ASP B 40 -8.261 4.614 -7.085 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -9.354 4.452 -7.679 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -7.157 4.305 -7.591 1.00 0.00 O ATOM 0 H ASP B 40 -9.170 7.367 -5.870 1.00 0.00 H new ATOM 0 HA ASP B 40 -10.368 4.878 -5.350 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.640 6.144 -5.723 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.648 4.532 -5.036 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.800 6.229 -2.794 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.355 6.116 -1.411 1.00 0.00 C ATOM 1614 C GLU B 41 -9.524 6.259 -0.424 1.00 0.00 C ATOM 1615 O GLU B 41 -9.610 5.514 0.551 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.265 7.183 -1.215 1.00 0.00 C ATOM 1617 CG GLU B 41 -6.304 6.936 -0.072 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.460 5.692 -0.313 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -4.421 5.717 -1.025 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -5.851 4.616 0.189 1.00 0.00 O ATOM 0 H GLU B 41 -8.610 7.147 -3.196 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.946 5.127 -1.206 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.690 7.263 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.750 8.146 -1.057 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -5.652 7.801 0.051 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -6.863 6.824 0.857 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.492 7.128 -0.726 1.00 0.00 N ATOM 1628 CA GLU B 42 -11.783 7.191 -0.026 1.00 0.00 C ATOM 1629 C GLU B 42 -12.584 5.886 -0.198 1.00 0.00 C ATOM 1630 O GLU B 42 -13.253 5.436 0.736 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.557 8.420 -0.537 1.00 0.00 C ATOM 1632 CG GLU B 42 -13.774 8.819 0.316 1.00 0.00 C ATOM 1633 CD GLU B 42 -15.059 7.999 0.062 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -15.320 7.583 -1.093 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -15.861 7.839 1.014 1.00 0.00 O ATOM 0 H GLU B 42 -10.403 7.817 -1.472 1.00 0.00 H new ATOM 0 HA GLU B 42 -11.615 7.298 1.046 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -11.873 9.267 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.894 8.222 -1.555 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -13.505 8.725 1.368 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -13.993 9.871 0.136 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.446 5.225 -1.359 1.00 0.00 N ATOM 1643 CA LYS B 43 -13.046 3.914 -1.643 1.00 0.00 C ATOM 1644 C LYS B 43 -12.562 2.826 -0.677 1.00 0.00 C ATOM 1645 O LYS B 43 -13.365 2.008 -0.235 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.783 3.533 -3.116 1.00 0.00 C ATOM 1647 CG LYS B 43 -13.985 2.890 -3.823 1.00 0.00 C ATOM 1648 CD LYS B 43 -15.105 3.906 -4.112 1.00 0.00 C ATOM 1649 CE LYS B 43 -16.247 3.308 -4.947 1.00 0.00 C ATOM 1650 NZ LYS B 43 -15.859 3.084 -6.367 1.00 0.00 N ATOM 0 H LYS B 43 -11.904 5.595 -2.140 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.122 3.991 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.489 4.428 -3.664 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -11.940 2.843 -3.156 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.655 2.440 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.379 2.084 -3.204 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -15.506 4.277 -3.169 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -14.685 4.763 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -16.558 2.361 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -17.108 3.976 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -16.669 2.696 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -15.571 3.987 -6.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -15.066 2.413 -6.408 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.289 2.839 -0.266 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.744 1.929 0.722 1.00 0.00 C ATOM 1666 C HIS B 44 -11.355 2.140 2.100 1.00 0.00 C ATOM 1667 O HIS B 44 -11.687 1.163 2.759 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.242 2.178 0.801 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.456 1.965 -0.460 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -7.101 2.288 -0.626 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -8.949 1.448 -1.619 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.843 1.995 -1.923 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.934 1.505 -2.530 1.00 0.00 N ATOM 0 H HIS B 44 -10.601 3.501 -0.625 1.00 0.00 H new ATOM 0 HA HIS B 44 -10.972 0.907 0.419 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -9.084 3.205 1.131 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.830 1.528 1.573 1.00 0.00 H new ATOM 0 HD1 HIS B 44 -6.456 2.659 0.072 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -9.946 1.068 -1.785 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.887 2.137 -2.404 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.532 3.396 2.523 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.196 3.745 3.783 1.00 0.00 C ATOM 1683 C ILE B 45 -13.641 3.221 3.796 1.00 0.00 C ATOM 1684 O ILE B 45 -14.060 2.652 4.801 1.00 0.00 O ATOM 1685 CB ILE B 45 -12.074 5.273 4.032 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -10.799 5.621 4.835 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.274 5.868 4.784 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.481 5.323 4.111 1.00 0.00 C ATOM 0 H ILE B 45 -11.214 4.208 1.994 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.700 3.254 4.620 1.00 0.00 H new ATOM 0 HB ILE B 45 -12.032 5.710 3.034 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -10.825 6.680 5.090 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -10.815 5.067 5.773 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -13.122 6.938 4.923 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -14.184 5.703 4.206 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.369 5.385 5.757 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.643 5.599 4.751 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.425 4.259 3.880 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.436 5.898 3.186 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.373 3.307 2.678 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.696 2.678 2.534 1.00 0.00 C ATOM 1702 C GLU B 46 -15.672 1.168 2.829 1.00 0.00 C ATOM 1703 O GLU B 46 -16.511 0.672 3.582 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.273 2.943 1.127 1.00 0.00 C ATOM 1705 CG GLU B 46 -17.335 4.045 1.100 1.00 0.00 C ATOM 1706 CD GLU B 46 -18.662 3.589 1.740 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -19.462 2.897 1.062 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -18.926 3.936 2.917 1.00 0.00 O ATOM 0 H GLU B 46 -14.067 3.814 1.847 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.345 3.137 3.280 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.460 3.217 0.455 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -16.708 2.021 0.742 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.961 4.921 1.629 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.516 4.348 0.069 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.698 0.436 2.284 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.562 -1.010 2.468 1.00 0.00 C ATOM 1717 C TRP B 47 -14.060 -1.376 3.874 1.00 0.00 C ATOM 1718 O TRP B 47 -14.559 -2.309 4.498 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.593 -1.548 1.409 1.00 0.00 C ATOM 1720 CG TRP B 47 -13.822 -1.192 -0.035 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -14.974 -0.761 -0.607 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -12.831 -1.194 -1.110 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -14.751 -0.475 -1.944 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.435 -0.697 -2.300 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.469 -1.550 -1.188 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -12.709 -0.521 -3.489 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -10.725 -1.390 -2.371 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.341 -0.855 -3.518 1.00 0.00 C ATOM 0 H TRP B 47 -13.970 0.838 1.693 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.547 -1.463 2.356 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.592 -1.210 1.677 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.593 -2.635 1.484 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -15.921 -0.657 -0.098 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.470 -0.142 -2.586 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -10.983 -1.957 -0.314 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.195 -0.133 -4.372 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -9.684 -1.677 -2.399 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -10.766 -0.701 -4.419 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.110 -0.609 4.409 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.586 -0.714 5.773 1.00 0.00 C ATOM 1741 C LEU B 48 -13.693 -0.575 6.823 1.00 0.00 C ATOM 1742 O LEU B 48 -13.784 -1.390 7.738 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.513 0.379 5.943 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.136 -0.024 5.396 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.258 1.212 5.214 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.407 -0.973 6.351 1.00 0.00 C ATOM 0 H LEU B 48 -12.663 0.139 3.878 1.00 0.00 H new ATOM 0 HA LEU B 48 -12.151 -1.702 5.926 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -11.845 1.285 5.436 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -11.418 0.622 7.001 1.00 0.00 H new ATOM 0 HG LEU B 48 -10.307 -0.525 4.443 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.284 0.913 4.826 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -9.734 1.896 4.512 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -9.128 1.710 6.175 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.436 -1.237 5.931 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -9.265 -0.482 7.314 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -10.000 -1.877 6.489 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.586 0.397 6.653 1.00 0.00 N ATOM 1759 CA GLU B 49 -15.795 0.548 7.480 1.00 0.00 C ATOM 1760 C GLU B 49 -16.753 -0.638 7.338 1.00 0.00 C ATOM 1761 O GLU B 49 -17.434 -1.004 8.296 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.539 1.840 7.100 1.00 0.00 C ATOM 1763 CG GLU B 49 -16.980 2.683 8.307 1.00 0.00 C ATOM 1764 CD GLU B 49 -18.178 2.087 9.075 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.291 1.997 8.501 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -18.029 1.769 10.279 1.00 0.00 O ATOM 0 H GLU B 49 -14.496 1.113 5.932 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.463 0.591 8.517 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -15.894 2.445 6.463 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.418 1.581 6.510 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -16.138 2.790 8.991 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -17.241 3.684 7.964 1.00 0.00 H new ATOM 1773 N THR B 50 -16.789 -1.273 6.161 1.00 0.00 N ATOM 1774 CA THR B 50 -17.646 -2.439 5.922 1.00 0.00 C ATOM 1775 C THR B 50 -17.091 -3.698 6.603 1.00 0.00 C ATOM 1776 O THR B 50 -17.855 -4.562 7.039 1.00 0.00 O ATOM 1777 CB THR B 50 -17.859 -2.612 4.409 1.00 0.00 C ATOM 1778 OG1 THR B 50 -18.734 -1.610 3.926 1.00 0.00 O ATOM 1779 CG2 THR B 50 -18.473 -3.939 4.009 1.00 0.00 C ATOM 0 H THR B 50 -16.230 -0.996 5.354 1.00 0.00 H new ATOM 0 HA THR B 50 -18.622 -2.273 6.378 1.00 0.00 H new ATOM 0 HB THR B 50 -16.859 -2.550 3.981 1.00 0.00 H new ATOM 0 HG1 THR B 50 -18.222 -0.800 3.721 1.00 0.00 H new ATOM 0 HG21 THR B 50 -18.587 -3.975 2.926 1.00 0.00 H new ATOM 0 HG22 THR B 50 -17.824 -4.753 4.333 1.00 0.00 H new ATOM 0 HG23 THR B 50 -19.450 -4.045 4.481 1.00 0.00 H new ATOM 1787 N ILE B 51 -15.767 -3.774 6.763 1.00 0.00 N ATOM 1788 CA ILE B 51 -15.060 -4.856 7.470 1.00 0.00 C ATOM 1789 C ILE B 51 -15.010 -4.645 8.995 1.00 0.00 C ATOM 1790 O ILE B 51 -14.947 -5.603 9.769 1.00 0.00 O ATOM 1791 CB ILE B 51 -13.676 -5.094 6.797 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -13.788 -6.096 5.623 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -12.614 -5.677 7.740 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -14.480 -5.557 4.375 1.00 0.00 C ATOM 0 H ILE B 51 -15.134 -3.064 6.394 1.00 0.00 H new ATOM 0 HA ILE B 51 -15.628 -5.781 7.370 1.00 0.00 H new ATOM 0 HB ILE B 51 -13.370 -4.100 6.470 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -12.785 -6.425 5.350 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -14.330 -6.977 5.968 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -11.679 -5.813 7.196 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -12.452 -4.993 8.573 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -12.955 -6.639 8.122 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -14.509 -6.334 3.611 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -15.497 -5.256 4.624 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -13.929 -4.696 3.997 1.00 0.00 H new ATOM 1806 N ASN B 52 -15.102 -3.394 9.434 1.00 0.00 N ATOM 1807 CA ASN B 52 -15.113 -2.977 10.839 1.00 0.00 C ATOM 1808 C ASN B 52 -16.495 -3.201 11.500 1.00 0.00 C ATOM 1809 O ASN B 52 -17.370 -2.329 11.461 1.00 0.00 O ATOM 1810 CB ASN B 52 -14.626 -1.516 10.922 1.00 0.00 C ATOM 1811 CG ASN B 52 -14.461 -0.991 12.343 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -14.762 -1.638 13.336 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -13.944 0.209 12.486 1.00 0.00 N ATOM 0 H ASN B 52 -15.174 -2.604 8.793 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.428 -3.600 11.414 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -13.671 -1.433 10.403 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -15.333 -0.879 10.391 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -13.797 0.593 13.419 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -13.690 0.756 11.664 1.00 0.00 H new