USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=18 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 Set 1.1: B 9 LYS NZ :NH3+ -176:sc= 1.03 (180deg=0) USER MOD Set 1.2: B 13 GLN : amide:sc= 0.893 K(o=1.9,f=-4.3!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0092 X(o=-0.0092,f=-0.014) USER MOD Single : A 13 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 15 MET CE :methyl 161:sc=-0.00129 (180deg=-0.774) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 150:sc= -1.89 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.6) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= 0.593 (180deg=0.309) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0.39 (180deg=0.374) USER MOD Single : A 44 HIS : no HE2:sc= -5.33! C(o=-5.3!,f=-10!) USER MOD Single : A 50 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 MET CE :methyl 167:sc= -1.13 (180deg=-1.24) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ 161:sc= 1.27 (180deg=0.86) USER MOD Single : B 27 ASN : amide:sc= 0.151 K(o=0.15,f=-3.6!) USER MOD Single : B 30 LYS NZ :NH3+ -161:sc= 1.22 (180deg=0.802) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 84:sc= 0.954 USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 HIS : no HD1:sc= -4.78 K(o=-4.1,f=-12!) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 ASN : amide:sc= -0.0153 K(o=-0.015,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 4 5.946 15.424 -0.876 1.00 0.00 N ATOM 54 CA LEU A 4 5.488 14.304 -1.726 1.00 0.00 C ATOM 55 C LEU A 4 6.086 12.965 -1.280 1.00 0.00 C ATOM 56 O LEU A 4 5.372 11.984 -1.073 1.00 0.00 O ATOM 57 CB LEU A 4 5.845 14.545 -3.216 1.00 0.00 C ATOM 58 CG LEU A 4 5.796 16.000 -3.703 1.00 0.00 C ATOM 59 CD1 LEU A 4 6.324 16.123 -5.131 1.00 0.00 C ATOM 60 CD2 LEU A 4 4.377 16.567 -3.693 1.00 0.00 C ATOM 0 HA LEU A 4 4.405 14.258 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.849 14.159 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.164 13.956 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 4 6.421 16.563 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.277 17.165 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.358 15.779 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.715 15.513 -5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.395 17.598 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.742 15.970 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.980 16.537 -2.678 1.00 0.00 H new ATOM 72 N ARG A 5 7.407 12.941 -1.063 1.00 0.00 N ATOM 73 CA ARG A 5 8.119 11.771 -0.495 1.00 0.00 C ATOM 74 C ARG A 5 7.637 11.452 0.931 1.00 0.00 C ATOM 75 O ARG A 5 7.553 10.292 1.323 1.00 0.00 O ATOM 76 CB ARG A 5 9.644 12.007 -0.585 1.00 0.00 C ATOM 77 CG ARG A 5 10.471 10.729 -0.821 1.00 0.00 C ATOM 78 CD ARG A 5 10.643 9.820 0.406 1.00 0.00 C ATOM 79 NE ARG A 5 10.175 8.441 0.139 1.00 0.00 N ATOM 80 CZ ARG A 5 10.605 7.329 0.711 1.00 0.00 C ATOM 81 NH1 ARG A 5 11.531 7.331 1.629 1.00 0.00 N ATOM 82 NH2 ARG A 5 10.107 6.178 0.363 1.00 0.00 N ATOM 0 H ARG A 5 8.020 13.729 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 5 7.885 10.883 -1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.844 12.709 -1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.982 12.479 0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.998 10.152 -1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.459 11.017 -1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.693 9.797 0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.088 10.236 1.247 1.00 0.00 H new ATOM 0 HE ARG A 5 9.441 8.337 -0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.950 8.211 1.929 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.837 6.452 2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.382 6.131 -0.353 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.441 5.323 0.807 1.00 0.00 H new ATOM 96 N GLU A 6 7.231 12.483 1.672 1.00 0.00 N ATOM 97 CA GLU A 6 6.576 12.370 2.983 1.00 0.00 C ATOM 98 C GLU A 6 5.238 11.607 2.920 1.00 0.00 C ATOM 99 O GLU A 6 4.940 10.792 3.795 1.00 0.00 O ATOM 100 CB GLU A 6 6.378 13.790 3.542 1.00 0.00 C ATOM 101 CG GLU A 6 6.046 13.780 5.040 1.00 0.00 C ATOM 102 CD GLU A 6 6.134 15.197 5.638 1.00 0.00 C ATOM 103 OE1 GLU A 6 5.165 15.983 5.502 1.00 0.00 O ATOM 104 OE2 GLU A 6 7.175 15.534 6.257 1.00 0.00 O ATOM 0 H GLU A 6 7.351 13.450 1.371 1.00 0.00 H new ATOM 0 HA GLU A 6 7.215 11.784 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.283 14.374 3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.575 14.285 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.043 13.380 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.735 13.118 5.564 1.00 0.00 H new ATOM 111 N LEU A 7 4.461 11.832 1.853 1.00 0.00 N ATOM 112 CA LEU A 7 3.193 11.134 1.589 1.00 0.00 C ATOM 113 C LEU A 7 3.434 9.651 1.290 1.00 0.00 C ATOM 114 O LEU A 7 2.858 8.804 1.965 1.00 0.00 O ATOM 115 CB LEU A 7 2.427 11.794 0.420 1.00 0.00 C ATOM 116 CG LEU A 7 2.140 13.292 0.590 1.00 0.00 C ATOM 117 CD1 LEU A 7 1.437 13.832 -0.654 1.00 0.00 C ATOM 118 CD2 LEU A 7 1.268 13.592 1.805 1.00 0.00 C ATOM 0 H LEU A 7 4.699 12.516 1.135 1.00 0.00 H new ATOM 0 HA LEU A 7 2.583 11.212 2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.001 11.652 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.480 11.272 0.287 1.00 0.00 H new ATOM 0 HG LEU A 7 3.104 13.778 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.237 14.896 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.075 13.685 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.497 13.301 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.098 14.666 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.312 13.079 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.770 13.245 2.708 1.00 0.00 H new ATOM 130 N TYR A 8 4.331 9.350 0.339 1.00 0.00 N ATOM 131 CA TYR A 8 4.775 8.004 -0.078 1.00 0.00 C ATOM 132 C TYR A 8 5.067 7.089 1.102 1.00 0.00 C ATOM 133 O TYR A 8 4.640 5.937 1.131 1.00 0.00 O ATOM 134 CB TYR A 8 6.081 8.203 -0.882 1.00 0.00 C ATOM 135 CG TYR A 8 6.600 7.081 -1.770 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.981 5.834 -1.231 1.00 0.00 C ATOM 137 CD2 TYR A 8 6.837 7.339 -3.134 1.00 0.00 C ATOM 138 CE1 TYR A 8 7.537 4.845 -2.066 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.361 6.340 -3.978 1.00 0.00 C ATOM 140 CZ TYR A 8 7.709 5.083 -3.443 1.00 0.00 C ATOM 141 OH TYR A 8 8.242 4.109 -4.230 1.00 0.00 O ATOM 0 H TYR A 8 4.797 10.083 -0.195 1.00 0.00 H new ATOM 0 HA TYR A 8 3.982 7.532 -0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.944 9.081 -1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 8 6.869 8.444 -0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.846 5.638 -0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.614 8.315 -3.538 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.834 3.895 -1.646 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.496 6.537 -5.031 1.00 0.00 H new ATOM 0 HH TYR A 8 8.294 4.428 -5.155 1.00 0.00 H new ATOM 151 N LYS A 9 5.814 7.599 2.078 1.00 0.00 N ATOM 152 CA LYS A 9 6.229 6.797 3.235 1.00 0.00 C ATOM 153 C LYS A 9 5.081 6.366 4.148 1.00 0.00 C ATOM 154 O LYS A 9 5.008 5.197 4.517 1.00 0.00 O ATOM 155 CB LYS A 9 7.348 7.543 3.973 1.00 0.00 C ATOM 156 CG LYS A 9 8.202 6.572 4.800 1.00 0.00 C ATOM 157 CD LYS A 9 9.637 7.093 4.941 1.00 0.00 C ATOM 158 CE LYS A 9 9.814 8.253 5.931 1.00 0.00 C ATOM 159 NZ LYS A 9 9.716 7.809 7.348 1.00 0.00 N ATOM 0 H LYS A 9 6.146 8.563 2.094 1.00 0.00 H new ATOM 0 HA LYS A 9 6.614 5.846 2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.978 8.065 3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.916 8.300 4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.759 6.442 5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.211 5.592 4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.277 6.268 5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.988 7.416 3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.784 8.723 5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.055 9.011 5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.842 8.627 7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.781 7.384 7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.456 7.105 7.543 1.00 0.00 H new ATOM 173 N LEU A 10 4.141 7.259 4.452 1.00 0.00 N ATOM 174 CA LEU A 10 2.912 6.935 5.171 1.00 0.00 C ATOM 175 C LEU A 10 1.921 6.119 4.317 1.00 0.00 C ATOM 176 O LEU A 10 1.244 5.228 4.830 1.00 0.00 O ATOM 177 CB LEU A 10 2.300 8.222 5.752 1.00 0.00 C ATOM 178 CG LEU A 10 3.077 8.705 6.997 1.00 0.00 C ATOM 179 CD1 LEU A 10 2.745 10.157 7.316 1.00 0.00 C ATOM 180 CD2 LEU A 10 2.736 7.877 8.241 1.00 0.00 C ATOM 0 H LEU A 10 4.214 8.245 4.201 1.00 0.00 H new ATOM 0 HA LEU A 10 3.159 6.276 6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.305 9.004 4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.258 8.043 6.018 1.00 0.00 H new ATOM 0 HG LEU A 10 4.134 8.592 6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.305 10.473 8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.016 10.787 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.677 10.251 7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.304 8.250 9.093 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.670 7.959 8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.991 6.832 8.064 1.00 0.00 H new ATOM 192 N GLU A 11 1.916 6.335 3.001 1.00 0.00 N ATOM 193 CA GLU A 11 1.315 5.453 1.992 1.00 0.00 C ATOM 194 C GLU A 11 1.880 4.018 2.071 1.00 0.00 C ATOM 195 O GLU A 11 1.112 3.056 2.009 1.00 0.00 O ATOM 196 CB GLU A 11 1.506 6.114 0.602 1.00 0.00 C ATOM 197 CG GLU A 11 0.285 6.915 0.128 1.00 0.00 C ATOM 198 CD GLU A 11 -0.837 6.055 -0.455 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.649 5.368 0.187 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.183 6.025 -1.649 1.00 0.00 O ATOM 0 H GLU A 11 2.348 7.162 2.589 1.00 0.00 H new ATOM 0 HA GLU A 11 0.248 5.337 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.371 6.776 0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.729 5.339 -0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.109 7.487 0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.606 7.634 -0.625 1.00 0.00 H new ATOM 207 N GLN A 12 3.190 3.842 2.306 1.00 0.00 N ATOM 208 CA GLN A 12 3.794 2.531 2.524 1.00 0.00 C ATOM 209 C GLN A 12 3.595 1.934 3.916 1.00 0.00 C ATOM 210 O GLN A 12 3.601 0.713 4.044 1.00 0.00 O ATOM 211 CB GLN A 12 5.281 2.574 2.195 1.00 0.00 C ATOM 212 CG GLN A 12 5.479 2.491 0.684 1.00 0.00 C ATOM 213 CD GLN A 12 6.954 2.322 0.322 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.839 2.990 0.842 1.00 0.00 O ATOM 215 NE2 GLN A 12 7.287 1.409 -0.567 1.00 0.00 N ATOM 0 H GLN A 12 3.857 4.612 2.349 1.00 0.00 H new ATOM 0 HA GLN A 12 3.258 1.866 1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.721 3.494 2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.795 1.747 2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.907 1.653 0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.089 3.394 0.215 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.565 0.842 -1.011 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.267 1.269 -0.811 1.00 0.00 H new ATOM 224 N GLN A 13 3.370 2.741 4.949 1.00 0.00 N ATOM 225 CA GLN A 13 3.057 2.231 6.293 1.00 0.00 C ATOM 226 C GLN A 13 1.762 1.408 6.310 1.00 0.00 C ATOM 227 O GLN A 13 1.707 0.397 7.008 1.00 0.00 O ATOM 228 CB GLN A 13 2.989 3.365 7.331 1.00 0.00 C ATOM 229 CG GLN A 13 4.366 3.905 7.745 1.00 0.00 C ATOM 230 CD GLN A 13 5.203 2.875 8.505 1.00 0.00 C ATOM 231 OE1 GLN A 13 4.823 2.370 9.554 1.00 0.00 O ATOM 232 NE2 GLN A 13 6.370 2.516 8.013 1.00 0.00 N ATOM 0 H GLN A 13 3.398 3.759 4.886 1.00 0.00 H new ATOM 0 HA GLN A 13 3.876 1.567 6.569 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.395 4.183 6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.468 3.003 8.218 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.909 4.222 6.855 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.232 4.789 8.369 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.703 2.926 7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.941 1.828 8.504 1.00 0.00 H new ATOM 241 N ALA A 14 0.763 1.758 5.489 1.00 0.00 N ATOM 242 CA ALA A 14 -0.424 0.924 5.309 1.00 0.00 C ATOM 243 C ALA A 14 -0.078 -0.373 4.563 1.00 0.00 C ATOM 244 O ALA A 14 -0.535 -1.432 4.971 1.00 0.00 O ATOM 245 CB ALA A 14 -1.498 1.736 4.575 1.00 0.00 C ATOM 0 H ALA A 14 0.757 2.617 4.939 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.814 0.628 6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.387 1.121 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.754 2.617 5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.117 2.048 3.602 1.00 0.00 H new ATOM 251 N MET A 15 0.781 -0.329 3.535 1.00 0.00 N ATOM 252 CA MET A 15 1.274 -1.531 2.825 1.00 0.00 C ATOM 253 C MET A 15 2.077 -2.476 3.739 1.00 0.00 C ATOM 254 O MET A 15 1.920 -3.696 3.667 1.00 0.00 O ATOM 255 CB MET A 15 2.104 -1.096 1.597 1.00 0.00 C ATOM 256 CG MET A 15 1.366 -1.317 0.268 1.00 0.00 C ATOM 257 SD MET A 15 1.935 -2.719 -0.743 1.00 0.00 S ATOM 258 CE MET A 15 1.984 -4.069 0.470 1.00 0.00 C ATOM 0 H MET A 15 1.159 0.544 3.166 1.00 0.00 H new ATOM 0 HA MET A 15 0.408 -2.104 2.493 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.360 -0.041 1.693 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.041 -1.652 1.583 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.307 -1.458 0.483 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.452 -0.408 -0.327 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.981 -5.026 -0.051 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.889 -3.985 1.071 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.111 -4.007 1.119 1.00 0.00 H new ATOM 268 N LYS A 16 2.892 -1.934 4.650 1.00 0.00 N ATOM 269 CA LYS A 16 3.634 -2.708 5.657 1.00 0.00 C ATOM 270 C LYS A 16 2.696 -3.377 6.663 1.00 0.00 C ATOM 271 O LYS A 16 2.855 -4.561 6.963 1.00 0.00 O ATOM 272 CB LYS A 16 4.632 -1.772 6.368 1.00 0.00 C ATOM 273 CG LYS A 16 5.908 -2.489 6.844 1.00 0.00 C ATOM 274 CD LYS A 16 7.079 -2.384 5.847 1.00 0.00 C ATOM 275 CE LYS A 16 6.762 -2.970 4.463 1.00 0.00 C ATOM 276 NZ LYS A 16 7.922 -2.842 3.540 1.00 0.00 N ATOM 0 H LYS A 16 3.059 -0.930 4.711 1.00 0.00 H new ATOM 0 HA LYS A 16 4.176 -3.510 5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.909 -0.965 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.141 -1.313 7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.217 -2.068 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.681 -3.541 7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.356 -1.336 5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.945 -2.900 6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.490 -4.021 4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.899 -2.457 4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.675 -3.247 2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.165 -1.837 3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.738 -3.352 3.935 1.00 0.00 H new ATOM 290 N LEU A 17 1.676 -2.647 7.120 1.00 0.00 N ATOM 291 CA LEU A 17 0.591 -3.192 7.944 1.00 0.00 C ATOM 292 C LEU A 17 -0.228 -4.258 7.198 1.00 0.00 C ATOM 293 O LEU A 17 -0.527 -5.310 7.760 1.00 0.00 O ATOM 294 CB LEU A 17 -0.282 -2.028 8.461 1.00 0.00 C ATOM 295 CG LEU A 17 -0.085 -1.814 9.972 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.616 -0.453 10.401 1.00 0.00 C ATOM 297 CD2 LEU A 17 -0.800 -2.886 10.798 1.00 0.00 C ATOM 0 H LEU A 17 1.578 -1.650 6.927 1.00 0.00 H new ATOM 0 HA LEU A 17 1.022 -3.711 8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.028 -1.113 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.332 -2.237 8.254 1.00 0.00 H new ATOM 0 HG LEU A 17 0.988 -1.876 10.154 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.465 -0.325 11.473 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.083 0.331 9.864 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.680 -0.390 10.174 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.635 -2.698 11.859 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.869 -2.856 10.586 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.406 -3.868 10.538 1.00 0.00 H new ATOM 309 N TYR A 18 -0.511 -4.041 5.912 1.00 0.00 N ATOM 310 CA TYR A 18 -1.193 -4.983 5.028 1.00 0.00 C ATOM 311 C TYR A 18 -0.453 -6.318 4.869 1.00 0.00 C ATOM 312 O TYR A 18 -1.105 -7.365 4.804 1.00 0.00 O ATOM 313 CB TYR A 18 -1.429 -4.324 3.658 1.00 0.00 C ATOM 314 CG TYR A 18 -2.737 -3.570 3.502 1.00 0.00 C ATOM 315 CD1 TYR A 18 -3.948 -4.202 3.836 1.00 0.00 C ATOM 316 CD2 TYR A 18 -2.754 -2.253 3.002 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.169 -3.517 3.712 1.00 0.00 C ATOM 318 CE2 TYR A 18 -3.967 -1.545 2.911 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.175 -2.176 3.280 1.00 0.00 C ATOM 320 OH TYR A 18 -6.341 -1.485 3.264 1.00 0.00 O ATOM 0 H TYR A 18 -0.261 -3.171 5.442 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.147 -5.227 5.495 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.608 -3.634 3.462 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.384 -5.098 2.892 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.940 -5.222 4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.833 -1.785 2.687 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.098 -4.016 3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.974 -0.523 2.560 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.160 -0.534 3.418 1.00 0.00 H new ATOM 330 N ARG A 19 0.890 -6.317 4.871 1.00 0.00 N ATOM 331 CA ARG A 19 1.698 -7.553 4.853 1.00 0.00 C ATOM 332 C ARG A 19 1.424 -8.476 6.053 1.00 0.00 C ATOM 333 O ARG A 19 1.514 -9.694 5.918 1.00 0.00 O ATOM 334 CB ARG A 19 3.199 -7.198 4.729 1.00 0.00 C ATOM 335 CG ARG A 19 3.850 -7.786 3.465 1.00 0.00 C ATOM 336 CD ARG A 19 3.924 -9.319 3.488 1.00 0.00 C ATOM 337 NE ARG A 19 4.474 -9.850 2.226 1.00 0.00 N ATOM 338 CZ ARG A 19 4.531 -11.122 1.867 1.00 0.00 C ATOM 339 NH1 ARG A 19 4.124 -12.082 2.651 1.00 0.00 N ATOM 340 NH2 ARG A 19 5.001 -11.458 0.700 1.00 0.00 N ATOM 0 H ARG A 19 1.448 -5.463 4.885 1.00 0.00 H new ATOM 0 HA ARG A 19 1.397 -8.127 3.977 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.311 -6.114 4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.728 -7.565 5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.284 -7.468 2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.856 -7.380 3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.546 -9.642 4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.928 -9.730 3.655 1.00 0.00 H new ATOM 0 HE ARG A 19 4.847 -9.169 1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.747 -11.862 3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.182 -13.052 2.342 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.328 -10.738 0.056 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.042 -12.441 0.430 1.00 0.00 H new ATOM 354 N GLU A 20 1.032 -7.911 7.196 1.00 0.00 N ATOM 355 CA GLU A 20 0.633 -8.639 8.410 1.00 0.00 C ATOM 356 C GLU A 20 -0.876 -8.888 8.475 1.00 0.00 C ATOM 357 O GLU A 20 -1.306 -9.964 8.884 1.00 0.00 O ATOM 358 CB GLU A 20 1.078 -7.819 9.631 1.00 0.00 C ATOM 359 CG GLU A 20 1.698 -8.676 10.741 1.00 0.00 C ATOM 360 CD GLU A 20 3.152 -9.072 10.409 1.00 0.00 C ATOM 361 OE1 GLU A 20 3.365 -10.069 9.678 1.00 0.00 O ATOM 362 OE2 GLU A 20 4.093 -8.395 10.890 1.00 0.00 O ATOM 0 H GLU A 20 0.980 -6.899 7.310 1.00 0.00 H new ATOM 0 HA GLU A 20 1.113 -9.617 8.397 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.802 -7.069 9.313 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.219 -7.282 10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.676 -8.125 11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.099 -9.575 10.884 1.00 0.00 H new ATOM 369 N ALA A 21 -1.684 -7.930 8.017 1.00 0.00 N ATOM 370 CA ALA A 21 -3.137 -8.075 7.887 1.00 0.00 C ATOM 371 C ALA A 21 -3.528 -9.272 6.999 1.00 0.00 C ATOM 372 O ALA A 21 -4.463 -10.002 7.323 1.00 0.00 O ATOM 373 CB ALA A 21 -3.729 -6.772 7.339 1.00 0.00 C ATOM 0 H ALA A 21 -1.342 -7.016 7.721 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.548 -8.277 8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.810 -6.876 7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.504 -5.954 8.023 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.295 -6.558 6.362 1.00 0.00 H new ATOM 379 N SER A 22 -2.776 -9.522 5.920 1.00 0.00 N ATOM 380 CA SER A 22 -2.925 -10.715 5.072 1.00 0.00 C ATOM 381 C SER A 22 -2.640 -12.021 5.832 1.00 0.00 C ATOM 382 O SER A 22 -3.320 -13.025 5.613 1.00 0.00 O ATOM 383 CB SER A 22 -2.000 -10.595 3.853 1.00 0.00 C ATOM 384 OG SER A 22 -2.314 -11.569 2.870 1.00 0.00 O ATOM 0 H SER A 22 -2.036 -8.894 5.606 1.00 0.00 H new ATOM 0 HA SER A 22 -3.965 -10.761 4.749 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.090 -9.598 3.422 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.963 -10.714 4.167 1.00 0.00 H new ATOM 0 HG SER A 22 -1.710 -11.468 2.105 1.00 0.00 H new ATOM 390 N GLU A 23 -1.676 -12.022 6.760 1.00 0.00 N ATOM 391 CA GLU A 23 -1.358 -13.187 7.602 1.00 0.00 C ATOM 392 C GLU A 23 -2.400 -13.409 8.710 1.00 0.00 C ATOM 393 O GLU A 23 -2.764 -14.548 9.007 1.00 0.00 O ATOM 394 CB GLU A 23 0.032 -13.013 8.228 1.00 0.00 C ATOM 395 CG GLU A 23 0.651 -14.374 8.576 1.00 0.00 C ATOM 396 CD GLU A 23 2.040 -14.221 9.226 1.00 0.00 C ATOM 397 OE1 GLU A 23 2.115 -14.054 10.468 1.00 0.00 O ATOM 398 OE2 GLU A 23 3.064 -14.305 8.505 1.00 0.00 O ATOM 0 H GLU A 23 -1.089 -11.210 6.951 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.372 -14.066 6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.683 -12.480 7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.044 -12.403 9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.011 -14.912 9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.737 -14.976 7.672 1.00 0.00 H new ATOM 405 N LYS A 24 -2.910 -12.318 9.294 1.00 0.00 N ATOM 406 CA LYS A 24 -4.050 -12.325 10.230 1.00 0.00 C ATOM 407 C LYS A 24 -5.345 -12.823 9.573 1.00 0.00 C ATOM 408 O LYS A 24 -6.084 -13.590 10.191 1.00 0.00 O ATOM 409 CB LYS A 24 -4.260 -10.923 10.837 1.00 0.00 C ATOM 410 CG LYS A 24 -3.602 -10.736 12.212 1.00 0.00 C ATOM 411 CD LYS A 24 -2.067 -10.728 12.195 1.00 0.00 C ATOM 412 CE LYS A 24 -1.557 -10.553 13.632 1.00 0.00 C ATOM 413 NZ LYS A 24 -0.073 -10.528 13.696 1.00 0.00 N ATOM 0 H LYS A 24 -2.536 -11.384 9.128 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.804 -13.027 11.027 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.861 -10.177 10.150 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.330 -10.734 10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.952 -9.797 12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.940 -11.534 12.873 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.689 -11.659 11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.701 -9.919 11.563 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.954 -9.626 14.047 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.933 -11.367 14.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.230 -10.408 14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.306 -11.422 13.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.286 -9.736 13.125 1.00 0.00 H new ATOM 427 N ALA A 25 -5.608 -12.422 8.326 1.00 0.00 N ATOM 428 CA ALA A 25 -6.721 -12.909 7.513 1.00 0.00 C ATOM 429 C ALA A 25 -6.583 -14.402 7.179 1.00 0.00 C ATOM 430 O ALA A 25 -7.403 -15.210 7.620 1.00 0.00 O ATOM 431 CB ALA A 25 -6.822 -12.046 6.245 1.00 0.00 C ATOM 0 H ALA A 25 -5.035 -11.730 7.843 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.645 -12.818 8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.649 -12.399 5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.996 -11.007 6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.893 -12.119 5.680 1.00 0.00 H new ATOM 437 N ARG A 26 -5.549 -14.760 6.404 1.00 0.00 N ATOM 438 CA ARG A 26 -5.261 -16.107 5.859 1.00 0.00 C ATOM 439 C ARG A 26 -6.476 -16.858 5.265 1.00 0.00 C ATOM 440 O ARG A 26 -6.471 -18.087 5.180 1.00 0.00 O ATOM 441 CB ARG A 26 -4.500 -16.912 6.937 1.00 0.00 C ATOM 442 CG ARG A 26 -3.406 -17.844 6.391 1.00 0.00 C ATOM 443 CD ARG A 26 -2.185 -17.052 5.897 1.00 0.00 C ATOM 444 NE ARG A 26 -1.054 -17.940 5.560 1.00 0.00 N ATOM 445 CZ ARG A 26 -0.121 -18.392 6.381 1.00 0.00 C ATOM 446 NH1 ARG A 26 -0.118 -18.115 7.656 1.00 0.00 N ATOM 447 NH2 ARG A 26 0.840 -19.145 5.930 1.00 0.00 N ATOM 0 H ARG A 26 -4.844 -14.079 6.120 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.631 -15.982 4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.045 -16.213 7.639 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.218 -17.508 7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.098 -18.541 7.171 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.810 -18.440 5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.462 -16.467 5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.875 -16.345 6.666 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.985 -18.237 4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.854 -17.530 8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.620 -18.483 8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.875 -19.388 4.940 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.558 -19.492 6.566 1.00 0.00 H new ATOM 461 N ASN A 27 -7.513 -16.123 4.849 1.00 0.00 N ATOM 462 CA ASN A 27 -8.816 -16.637 4.409 1.00 0.00 C ATOM 463 C ASN A 27 -9.203 -15.991 3.058 1.00 0.00 C ATOM 464 O ASN A 27 -9.083 -14.768 2.929 1.00 0.00 O ATOM 465 CB ASN A 27 -9.827 -16.319 5.532 1.00 0.00 C ATOM 466 CG ASN A 27 -11.199 -16.925 5.300 1.00 0.00 C ATOM 467 OD1 ASN A 27 -11.374 -18.134 5.288 1.00 0.00 O ATOM 468 ND2 ASN A 27 -12.218 -16.118 5.108 1.00 0.00 N ATOM 0 H ASN A 27 -7.465 -15.105 4.808 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.797 -17.714 4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.432 -16.685 6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.927 -15.238 5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.150 -16.502 4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.077 -15.108 5.117 1.00 0.00 H new ATOM 475 N PRO A 28 -9.653 -16.758 2.043 1.00 0.00 N ATOM 476 CA PRO A 28 -9.724 -16.280 0.657 1.00 0.00 C ATOM 477 C PRO A 28 -10.759 -15.170 0.427 1.00 0.00 C ATOM 478 O PRO A 28 -10.585 -14.351 -0.472 1.00 0.00 O ATOM 479 CB PRO A 28 -10.009 -17.519 -0.200 1.00 0.00 C ATOM 480 CG PRO A 28 -10.688 -18.483 0.767 1.00 0.00 C ATOM 481 CD PRO A 28 -10.008 -18.170 2.096 1.00 0.00 C ATOM 0 HA PRO A 28 -8.782 -15.804 0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.654 -17.280 -1.046 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.091 -17.942 -0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.764 -18.316 0.815 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.540 -19.522 0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.676 -18.373 2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.123 -18.790 2.237 1.00 0.00 H new ATOM 489 N GLU A 29 -11.803 -15.090 1.259 1.00 0.00 N ATOM 490 CA GLU A 29 -12.806 -14.015 1.205 1.00 0.00 C ATOM 491 C GLU A 29 -12.169 -12.640 1.449 1.00 0.00 C ATOM 492 O GLU A 29 -12.279 -11.726 0.632 1.00 0.00 O ATOM 493 CB GLU A 29 -13.918 -14.308 2.228 1.00 0.00 C ATOM 494 CG GLU A 29 -15.205 -13.506 1.991 1.00 0.00 C ATOM 495 CD GLU A 29 -15.979 -14.008 0.755 1.00 0.00 C ATOM 496 OE1 GLU A 29 -16.784 -14.964 0.886 1.00 0.00 O ATOM 497 OE2 GLU A 29 -15.797 -13.451 -0.353 1.00 0.00 O ATOM 0 H GLU A 29 -11.979 -15.774 1.995 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.241 -13.986 0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.154 -15.372 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.545 -14.091 3.229 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.843 -13.576 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.957 -12.453 1.860 1.00 0.00 H new ATOM 504 N LYS A 30 -11.408 -12.537 2.542 1.00 0.00 N ATOM 505 CA LYS A 30 -10.561 -11.377 2.868 1.00 0.00 C ATOM 506 C LYS A 30 -9.456 -11.182 1.835 1.00 0.00 C ATOM 507 O LYS A 30 -9.241 -10.053 1.396 1.00 0.00 O ATOM 508 CB LYS A 30 -9.959 -11.510 4.283 1.00 0.00 C ATOM 509 CG LYS A 30 -10.969 -11.336 5.429 1.00 0.00 C ATOM 510 CD LYS A 30 -11.503 -9.897 5.568 1.00 0.00 C ATOM 511 CE LYS A 30 -13.013 -9.844 5.843 1.00 0.00 C ATOM 512 NZ LYS A 30 -13.382 -10.440 7.156 1.00 0.00 N ATOM 0 H LYS A 30 -11.360 -13.274 3.245 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.200 -10.494 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.492 -12.491 4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.168 -10.769 4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.809 -12.012 5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.497 -11.632 6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.973 -9.395 6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.286 -9.344 4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.347 -8.807 5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.541 -10.371 5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.412 -10.377 7.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.090 -11.438 7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.902 -9.922 7.920 1.00 0.00 H new ATOM 526 N LYS A 31 -8.805 -12.265 1.387 1.00 0.00 N ATOM 527 CA LYS A 31 -7.729 -12.234 0.376 1.00 0.00 C ATOM 528 C LYS A 31 -8.162 -11.746 -1.021 1.00 0.00 C ATOM 529 O LYS A 31 -7.301 -11.439 -1.840 1.00 0.00 O ATOM 530 CB LYS A 31 -6.983 -13.580 0.342 1.00 0.00 C ATOM 531 CG LYS A 31 -5.497 -13.369 0.006 1.00 0.00 C ATOM 532 CD LYS A 31 -4.689 -14.665 0.123 1.00 0.00 C ATOM 533 CE LYS A 31 -3.218 -14.362 -0.194 1.00 0.00 C ATOM 534 NZ LYS A 31 -2.373 -15.583 -0.127 1.00 0.00 N ATOM 0 H LYS A 31 -9.013 -13.206 1.721 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.030 -11.463 0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.076 -14.077 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.439 -14.236 -0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.407 -12.977 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.077 -12.619 0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.781 -15.078 1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.077 -15.415 -0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.144 -13.924 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.840 -13.620 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.387 -15.335 -0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.423 -15.988 0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.717 -16.281 -0.817 1.00 0.00 H new ATOM 548 N SER A 32 -9.464 -11.570 -1.262 1.00 0.00 N ATOM 549 CA SER A 32 -10.032 -10.921 -2.460 1.00 0.00 C ATOM 550 C SER A 32 -10.759 -9.597 -2.152 1.00 0.00 C ATOM 551 O SER A 32 -11.426 -9.037 -3.023 1.00 0.00 O ATOM 552 CB SER A 32 -10.954 -11.900 -3.204 1.00 0.00 C ATOM 553 OG SER A 32 -10.233 -13.033 -3.671 1.00 0.00 O ATOM 0 H SER A 32 -10.182 -11.884 -0.609 1.00 0.00 H new ATOM 0 HA SER A 32 -9.194 -10.655 -3.104 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.755 -12.224 -2.540 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.424 -11.392 -4.046 1.00 0.00 H new ATOM 0 HG SER A 32 -10.844 -13.640 -4.139 1.00 0.00 H new ATOM 559 N VAL A 33 -10.591 -9.057 -0.937 1.00 0.00 N ATOM 560 CA VAL A 33 -11.145 -7.765 -0.482 1.00 0.00 C ATOM 561 C VAL A 33 -10.038 -6.792 -0.065 1.00 0.00 C ATOM 562 O VAL A 33 -10.123 -5.616 -0.418 1.00 0.00 O ATOM 563 CB VAL A 33 -12.183 -7.981 0.643 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.608 -6.688 1.355 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.459 -8.617 0.076 1.00 0.00 C ATOM 0 H VAL A 33 -10.045 -9.523 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.663 -7.304 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.685 -8.627 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.337 -6.922 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.735 -6.218 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.054 -6.004 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.181 -8.763 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.887 -7.960 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.217 -9.580 -0.374 1.00 0.00 H new ATOM 575 N LEU A 34 -8.951 -7.249 0.574 1.00 0.00 N ATOM 576 CA LEU A 34 -7.760 -6.424 0.773 1.00 0.00 C ATOM 577 C LEU A 34 -6.874 -6.357 -0.492 1.00 0.00 C ATOM 578 O LEU A 34 -6.109 -5.408 -0.652 1.00 0.00 O ATOM 579 CB LEU A 34 -7.066 -6.834 2.091 1.00 0.00 C ATOM 580 CG LEU A 34 -5.886 -7.791 1.948 1.00 0.00 C ATOM 581 CD1 LEU A 34 -5.153 -7.973 3.278 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.238 -9.191 1.467 1.00 0.00 C ATOM 0 H LEU A 34 -8.877 -8.190 0.961 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.037 -5.378 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.719 -5.931 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.808 -7.296 2.742 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.270 -7.308 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.318 -8.660 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.777 -7.009 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.841 -8.380 4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.331 -9.791 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.928 -9.655 2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.708 -9.131 0.485 1.00 0.00 H new ATOM 594 N GLN A 35 -7.010 -7.304 -1.435 1.00 0.00 N ATOM 595 CA GLN A 35 -6.247 -7.310 -2.693 1.00 0.00 C ATOM 596 C GLN A 35 -6.597 -6.122 -3.601 1.00 0.00 C ATOM 597 O GLN A 35 -5.698 -5.512 -4.178 1.00 0.00 O ATOM 598 CB GLN A 35 -6.452 -8.649 -3.418 1.00 0.00 C ATOM 599 CG GLN A 35 -5.661 -8.746 -4.735 1.00 0.00 C ATOM 600 CD GLN A 35 -5.787 -10.114 -5.410 1.00 0.00 C ATOM 601 OE1 GLN A 35 -6.843 -10.735 -5.456 1.00 0.00 O ATOM 602 NE2 GLN A 35 -4.719 -10.639 -5.975 1.00 0.00 N ATOM 0 H GLN A 35 -7.655 -8.089 -1.345 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.192 -7.197 -2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.151 -9.463 -2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.513 -8.784 -3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.012 -7.975 -5.421 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.609 -8.541 -4.536 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.830 -10.139 -5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.781 -11.545 -6.439 1.00 0.00 H new ATOM 611 N LYS A 36 -7.880 -5.745 -3.709 1.00 0.00 N ATOM 612 CA LYS A 36 -8.292 -4.580 -4.515 1.00 0.00 C ATOM 613 C LYS A 36 -7.759 -3.249 -3.970 1.00 0.00 C ATOM 614 O LYS A 36 -7.412 -2.368 -4.756 1.00 0.00 O ATOM 615 CB LYS A 36 -9.820 -4.559 -4.728 1.00 0.00 C ATOM 616 CG LYS A 36 -10.644 -4.672 -3.434 1.00 0.00 C ATOM 617 CD LYS A 36 -12.136 -4.410 -3.674 1.00 0.00 C ATOM 618 CE LYS A 36 -12.901 -4.484 -2.345 1.00 0.00 C ATOM 619 NZ LYS A 36 -14.327 -4.094 -2.510 1.00 0.00 N ATOM 0 H LYS A 36 -8.652 -6.228 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.826 -4.698 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.091 -3.634 -5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.093 -5.380 -5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.515 -5.667 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.265 -3.960 -2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.273 -3.429 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.535 -5.144 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.844 -5.498 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.426 -3.829 -1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.897 -4.536 -1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.414 -3.060 -2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.669 -4.413 -3.439 1.00 0.00 H new ATOM 633 N ILE A 37 -7.604 -3.128 -2.648 1.00 0.00 N ATOM 634 CA ILE A 37 -6.871 -2.015 -2.029 1.00 0.00 C ATOM 635 C ILE A 37 -5.375 -2.138 -2.344 1.00 0.00 C ATOM 636 O ILE A 37 -4.780 -1.165 -2.789 1.00 0.00 O ATOM 637 CB ILE A 37 -7.095 -1.988 -0.499 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.571 -1.876 -0.081 1.00 0.00 C ATOM 639 CG2 ILE A 37 -6.221 -0.881 0.116 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.860 -2.050 1.416 1.00 0.00 C ATOM 0 H ILE A 37 -7.982 -3.796 -1.976 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.249 -1.080 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.787 -2.955 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.943 -0.900 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.142 -2.625 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.373 -0.855 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.172 -1.085 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.498 0.082 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.931 -1.951 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.528 -3.037 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.327 -1.285 1.981 1.00 0.00 H new ATOM 652 N LEU A 38 -4.754 -3.310 -2.186 1.00 0.00 N ATOM 653 CA LEU A 38 -3.332 -3.497 -2.505 1.00 0.00 C ATOM 654 C LEU A 38 -2.981 -3.123 -3.956 1.00 0.00 C ATOM 655 O LEU A 38 -1.951 -2.485 -4.181 1.00 0.00 O ATOM 656 CB LEU A 38 -2.910 -4.940 -2.185 1.00 0.00 C ATOM 657 CG LEU A 38 -2.670 -5.187 -0.686 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.541 -6.685 -0.411 1.00 0.00 C ATOM 659 CD2 LEU A 38 -1.377 -4.506 -0.235 1.00 0.00 C ATOM 0 H LEU A 38 -5.216 -4.150 -1.837 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.768 -2.807 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.681 -5.624 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.999 -5.175 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.518 -4.777 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.371 -6.846 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.458 -7.191 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.701 -7.088 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.221 -4.690 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.537 -4.909 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.451 -3.433 -0.411 1.00 0.00 H new ATOM 671 N GLU A 39 -3.833 -3.443 -4.935 1.00 0.00 N ATOM 672 CA GLU A 39 -3.600 -3.041 -6.327 1.00 0.00 C ATOM 673 C GLU A 39 -3.775 -1.535 -6.564 1.00 0.00 C ATOM 674 O GLU A 39 -3.039 -0.948 -7.363 1.00 0.00 O ATOM 675 CB GLU A 39 -4.515 -3.836 -7.272 1.00 0.00 C ATOM 676 CG GLU A 39 -4.122 -5.315 -7.376 1.00 0.00 C ATOM 677 CD GLU A 39 -5.001 -6.044 -8.411 1.00 0.00 C ATOM 678 OE1 GLU A 39 -6.075 -6.579 -8.042 1.00 0.00 O ATOM 679 OE2 GLU A 39 -4.620 -6.091 -9.607 1.00 0.00 O ATOM 0 H GLU A 39 -4.689 -3.978 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.556 -3.270 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.544 -3.762 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.484 -3.386 -8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.073 -5.398 -7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.227 -5.793 -6.402 1.00 0.00 H new ATOM 686 N ASP A 40 -4.690 -0.894 -5.838 1.00 0.00 N ATOM 687 CA ASP A 40 -4.838 0.551 -5.782 1.00 0.00 C ATOM 688 C ASP A 40 -3.617 1.224 -5.125 1.00 0.00 C ATOM 689 O ASP A 40 -3.132 2.235 -5.626 1.00 0.00 O ATOM 690 CB ASP A 40 -6.118 0.846 -4.988 1.00 0.00 C ATOM 691 CG ASP A 40 -7.416 0.916 -5.810 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.425 0.649 -7.037 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.446 1.254 -5.182 1.00 0.00 O ATOM 0 H ASP A 40 -5.368 -1.386 -5.256 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.905 0.958 -6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.235 0.076 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.989 1.795 -4.467 1.00 0.00 H new ATOM 698 N GLU A 41 -3.067 0.657 -4.044 1.00 0.00 N ATOM 699 CA GLU A 41 -1.923 1.261 -3.338 1.00 0.00 C ATOM 700 C GLU A 41 -0.634 1.134 -4.160 1.00 0.00 C ATOM 701 O GLU A 41 0.159 2.072 -4.226 1.00 0.00 O ATOM 702 CB GLU A 41 -1.699 0.673 -1.927 1.00 0.00 C ATOM 703 CG GLU A 41 -2.825 0.823 -0.880 1.00 0.00 C ATOM 704 CD GLU A 41 -3.338 2.243 -0.615 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.794 3.246 -1.141 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.345 2.407 0.125 1.00 0.00 O ATOM 0 H GLU A 41 -3.394 -0.219 -3.637 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.175 2.314 -3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.491 -0.391 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.800 1.132 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.669 0.211 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.469 0.409 0.063 1.00 0.00 H new ATOM 713 N GLU A 42 -0.450 0.016 -4.865 1.00 0.00 N ATOM 714 CA GLU A 42 0.627 -0.128 -5.848 1.00 0.00 C ATOM 715 C GLU A 42 0.477 0.873 -7.011 1.00 0.00 C ATOM 716 O GLU A 42 1.475 1.421 -7.482 1.00 0.00 O ATOM 717 CB GLU A 42 0.678 -1.586 -6.332 1.00 0.00 C ATOM 718 CG GLU A 42 1.942 -1.880 -7.150 1.00 0.00 C ATOM 719 CD GLU A 42 2.051 -3.382 -7.473 1.00 0.00 C ATOM 720 OE1 GLU A 42 1.402 -3.843 -8.445 1.00 0.00 O ATOM 721 OE2 GLU A 42 2.792 -4.110 -6.768 1.00 0.00 O ATOM 0 H GLU A 42 -1.039 -0.811 -4.772 1.00 0.00 H new ATOM 0 HA GLU A 42 1.579 0.111 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.640 -2.254 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.203 -1.797 -6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.923 -1.305 -8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.823 -1.559 -6.594 1.00 0.00 H new ATOM 728 N LYS A 43 -0.763 1.184 -7.431 1.00 0.00 N ATOM 729 CA LYS A 43 -1.033 2.230 -8.435 1.00 0.00 C ATOM 730 C LYS A 43 -0.615 3.618 -7.943 1.00 0.00 C ATOM 731 O LYS A 43 0.002 4.367 -8.697 1.00 0.00 O ATOM 732 CB LYS A 43 -2.519 2.240 -8.862 1.00 0.00 C ATOM 733 CG LYS A 43 -2.705 2.410 -10.378 1.00 0.00 C ATOM 734 CD LYS A 43 -2.789 1.101 -11.184 1.00 0.00 C ATOM 735 CE LYS A 43 -1.603 0.135 -11.025 1.00 0.00 C ATOM 736 NZ LYS A 43 -1.856 -0.922 -10.007 1.00 0.00 N ATOM 0 H LYS A 43 -1.603 0.720 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.427 1.985 -9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.989 1.309 -8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.035 3.049 -8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.615 2.984 -10.553 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.876 3.002 -10.765 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.700 0.577 -10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.888 1.353 -12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.391 -0.335 -11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.715 0.700 -10.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.991 -1.482 -9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.132 -0.479 -9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.622 -1.544 -10.335 1.00 0.00 H new ATOM 750 N HIS A 44 -0.872 3.959 -6.675 1.00 0.00 N ATOM 751 CA HIS A 44 -0.445 5.200 -6.072 1.00 0.00 C ATOM 752 C HIS A 44 1.074 5.319 -6.057 1.00 0.00 C ATOM 753 O HIS A 44 1.594 6.359 -6.444 1.00 0.00 O ATOM 754 CB HIS A 44 -1.019 5.241 -4.656 1.00 0.00 C ATOM 755 CG HIS A 44 -2.522 5.182 -4.541 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.249 4.984 -3.351 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.390 5.289 -5.586 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.542 4.947 -3.748 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.642 5.114 -5.076 1.00 0.00 N ATOM 0 H HIS A 44 -1.394 3.359 -6.037 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.810 6.046 -6.654 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.600 4.407 -4.093 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.675 6.156 -4.174 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -2.883 4.890 -2.404 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.135 5.476 -6.619 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.382 4.802 -3.085 1.00 0.00 H new ATOM 767 N ILE A 45 1.787 4.252 -5.679 1.00 0.00 N ATOM 768 CA ILE A 45 3.255 4.206 -5.677 1.00 0.00 C ATOM 769 C ILE A 45 3.843 4.417 -7.083 1.00 0.00 C ATOM 770 O ILE A 45 4.827 5.145 -7.203 1.00 0.00 O ATOM 771 CB ILE A 45 3.749 2.911 -4.973 1.00 0.00 C ATOM 772 CG1 ILE A 45 4.076 3.170 -3.482 1.00 0.00 C ATOM 773 CG2 ILE A 45 5.000 2.286 -5.615 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.870 3.549 -2.614 1.00 0.00 C ATOM 0 H ILE A 45 1.355 3.384 -5.361 1.00 0.00 H new ATOM 0 HA ILE A 45 3.633 5.045 -5.093 1.00 0.00 H new ATOM 0 HB ILE A 45 2.919 2.213 -5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.538 2.275 -3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.815 3.969 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.280 1.387 -5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.786 2.026 -6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.821 3.002 -5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.197 3.711 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.418 4.463 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.137 2.743 -2.638 1.00 0.00 H new ATOM 786 N GLU A 46 3.242 3.876 -8.152 1.00 0.00 N ATOM 787 CA GLU A 46 3.675 4.154 -9.526 1.00 0.00 C ATOM 788 C GLU A 46 3.632 5.650 -9.852 1.00 0.00 C ATOM 789 O GLU A 46 4.595 6.201 -10.391 1.00 0.00 O ATOM 790 CB GLU A 46 2.795 3.395 -10.531 1.00 0.00 C ATOM 791 CG GLU A 46 3.057 1.890 -10.619 1.00 0.00 C ATOM 792 CD GLU A 46 4.407 1.575 -11.291 1.00 0.00 C ATOM 793 OE1 GLU A 46 4.472 1.543 -12.545 1.00 0.00 O ATOM 794 OE2 GLU A 46 5.412 1.346 -10.575 1.00 0.00 O ATOM 0 H GLU A 46 2.448 3.238 -8.089 1.00 0.00 H new ATOM 0 HA GLU A 46 4.708 3.816 -9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.750 3.551 -10.264 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.940 3.831 -11.519 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.042 1.461 -9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.253 1.415 -11.181 1.00 0.00 H new ATOM 801 N TRP A 47 2.538 6.331 -9.500 1.00 0.00 N ATOM 802 CA TRP A 47 2.364 7.749 -9.778 1.00 0.00 C ATOM 803 C TRP A 47 3.235 8.619 -8.871 1.00 0.00 C ATOM 804 O TRP A 47 3.848 9.576 -9.332 1.00 0.00 O ATOM 805 CB TRP A 47 0.898 8.137 -9.563 1.00 0.00 C ATOM 806 CG TRP A 47 -0.179 7.300 -10.181 1.00 0.00 C ATOM 807 CD1 TRP A 47 -0.083 6.533 -11.292 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.551 7.149 -9.707 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.287 5.879 -11.499 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.241 6.249 -10.569 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.282 7.696 -8.631 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.590 5.913 -10.370 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.636 7.374 -8.419 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.288 6.477 -9.285 1.00 0.00 C ATOM 0 H TRP A 47 1.748 5.908 -9.013 1.00 0.00 H new ATOM 0 HA TRP A 47 2.664 7.919 -10.812 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.719 8.160 -8.488 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.772 9.156 -9.929 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.793 6.445 -11.918 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.450 5.206 -12.248 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.791 8.379 -7.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.087 5.229 -11.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.174 7.815 -7.593 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.324 6.221 -9.118 1.00 0.00 H new ATOM 825 N LEU A 48 3.323 8.268 -7.589 1.00 0.00 N ATOM 826 CA LEU A 48 4.174 8.911 -6.595 1.00 0.00 C ATOM 827 C LEU A 48 5.646 8.875 -7.008 1.00 0.00 C ATOM 828 O LEU A 48 6.314 9.904 -6.970 1.00 0.00 O ATOM 829 CB LEU A 48 3.948 8.195 -5.253 1.00 0.00 C ATOM 830 CG LEU A 48 2.704 8.668 -4.487 1.00 0.00 C ATOM 831 CD1 LEU A 48 2.388 7.682 -3.362 1.00 0.00 C ATOM 832 CD2 LEU A 48 2.921 10.046 -3.853 1.00 0.00 C ATOM 0 H LEU A 48 2.780 7.496 -7.201 1.00 0.00 H new ATOM 0 HA LEU A 48 3.911 9.965 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.862 7.124 -5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.826 8.342 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 48 1.884 8.727 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.505 8.020 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.199 6.696 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.235 7.627 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.019 10.347 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.757 9.998 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.142 10.775 -4.633 1.00 0.00 H new ATOM 844 N GLU A 49 6.137 7.730 -7.481 1.00 0.00 N ATOM 845 CA GLU A 49 7.480 7.606 -8.068 1.00 0.00 C ATOM 846 C GLU A 49 7.638 8.467 -9.323 1.00 0.00 C ATOM 847 O GLU A 49 8.635 9.171 -9.481 1.00 0.00 O ATOM 848 CB GLU A 49 7.758 6.142 -8.431 1.00 0.00 C ATOM 849 CG GLU A 49 9.255 5.879 -8.635 1.00 0.00 C ATOM 850 CD GLU A 49 9.523 4.416 -9.033 1.00 0.00 C ATOM 851 OE1 GLU A 49 9.693 3.558 -8.132 1.00 0.00 O ATOM 852 OE2 GLU A 49 9.596 4.117 -10.251 1.00 0.00 O ATOM 0 H GLU A 49 5.614 6.854 -7.470 1.00 0.00 H new ATOM 0 HA GLU A 49 8.193 7.955 -7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.380 5.494 -7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.217 5.884 -9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.640 6.544 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.795 6.112 -7.717 1.00 0.00 H new ATOM 859 N THR A 50 6.625 8.443 -10.192 1.00 0.00 N ATOM 860 CA THR A 50 6.574 9.265 -11.409 1.00 0.00 C ATOM 861 C THR A 50 6.609 10.778 -11.121 1.00 0.00 C ATOM 862 O THR A 50 7.144 11.552 -11.918 1.00 0.00 O ATOM 863 CB THR A 50 5.342 8.863 -12.235 1.00 0.00 C ATOM 864 OG1 THR A 50 5.440 7.511 -12.638 1.00 0.00 O ATOM 865 CG2 THR A 50 5.190 9.657 -13.516 1.00 0.00 C ATOM 0 H THR A 50 5.807 7.846 -10.071 1.00 0.00 H new ATOM 0 HA THR A 50 7.476 9.070 -11.988 1.00 0.00 H new ATOM 0 HB THR A 50 4.491 9.051 -11.580 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.284 6.927 -11.866 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.300 9.321 -14.049 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.092 10.716 -13.278 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.068 9.506 -14.144 1.00 0.00 H new ATOM 873 N ILE A 51 6.096 11.198 -9.961 1.00 0.00 N ATOM 874 CA ILE A 51 6.051 12.594 -9.488 1.00 0.00 C ATOM 875 C ILE A 51 7.278 12.998 -8.648 1.00 0.00 C ATOM 876 O ILE A 51 7.635 14.177 -8.578 1.00 0.00 O ATOM 877 CB ILE A 51 4.678 12.853 -8.795 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.643 13.465 -9.766 1.00 0.00 C ATOM 879 CG2 ILE A 51 4.726 13.803 -7.596 1.00 0.00 C ATOM 880 CD1 ILE A 51 3.262 12.566 -10.940 1.00 0.00 C ATOM 0 H ILE A 51 5.681 10.549 -9.293 1.00 0.00 H new ATOM 0 HA ILE A 51 6.120 13.261 -10.348 1.00 0.00 H new ATOM 0 HB ILE A 51 4.394 11.857 -8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.741 13.711 -9.206 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.041 14.401 -10.157 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.724 13.919 -7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.387 13.393 -6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.101 14.775 -7.917 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.532 13.077 -11.568 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.151 12.340 -11.529 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.831 11.639 -10.563 1.00 0.00 H new ATOM 892 N ASN A 52 7.955 12.021 -8.053 1.00 0.00 N ATOM 893 CA ASN A 52 9.180 12.188 -7.262 1.00 0.00 C ATOM 894 C ASN A 52 10.432 12.424 -8.150 1.00 0.00 C ATOM 895 O ASN A 52 10.389 12.272 -9.377 1.00 0.00 O ATOM 896 CB ASN A 52 9.317 10.959 -6.337 1.00 0.00 C ATOM 897 CG ASN A 52 10.374 11.097 -5.251 1.00 0.00 C ATOM 898 OD1 ASN A 52 10.712 12.185 -4.807 1.00 0.00 O ATOM 899 ND2 ASN A 52 10.936 10.003 -4.793 1.00 0.00 N ATOM 0 H ASN A 52 7.656 11.047 -8.108 1.00 0.00 H new ATOM 0 HA ASN A 52 9.108 13.089 -6.653 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.353 10.767 -5.865 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.553 10.087 -6.946 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.652 10.062 -4.069 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.657 9.094 -5.161 1.00 0.00 H new ATOM 967 N LEU B 4 -7.027 -4.507 11.607 1.00 0.00 N ATOM 968 CA LEU B 4 -7.745 -3.740 10.588 1.00 0.00 C ATOM 969 C LEU B 4 -8.015 -2.271 10.911 1.00 0.00 C ATOM 970 O LEU B 4 -8.427 -1.514 10.040 1.00 0.00 O ATOM 971 CB LEU B 4 -9.056 -4.464 10.288 1.00 0.00 C ATOM 972 CG LEU B 4 -10.088 -4.480 11.435 1.00 0.00 C ATOM 973 CD1 LEU B 4 -11.116 -3.347 11.342 1.00 0.00 C ATOM 974 CD2 LEU B 4 -10.868 -5.796 11.430 1.00 0.00 C ATOM 0 HA LEU B 4 -7.083 -3.695 9.723 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.516 -3.998 9.416 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.827 -5.494 10.015 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.508 -4.355 12.349 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -11.811 -3.417 12.178 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -10.603 -2.386 11.376 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -11.666 -3.431 10.405 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -11.592 -5.793 12.245 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -11.391 -5.905 10.480 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.177 -6.629 11.562 1.00 0.00 H new ATOM 986 N ARG B 5 -7.792 -1.878 12.157 1.00 0.00 N ATOM 987 CA ARG B 5 -8.213 -0.606 12.774 1.00 0.00 C ATOM 988 C ARG B 5 -6.988 0.274 12.956 1.00 0.00 C ATOM 989 O ARG B 5 -7.008 1.453 12.613 1.00 0.00 O ATOM 990 CB ARG B 5 -8.922 -0.897 14.113 1.00 0.00 C ATOM 991 CG ARG B 5 -9.703 0.309 14.659 1.00 0.00 C ATOM 992 CD ARG B 5 -10.266 -0.004 16.052 1.00 0.00 C ATOM 993 NE ARG B 5 -11.173 1.061 16.529 1.00 0.00 N ATOM 994 CZ ARG B 5 -12.455 0.953 16.840 1.00 0.00 C ATOM 995 NH1 ARG B 5 -13.113 -0.168 16.736 1.00 0.00 N ATOM 996 NH2 ARG B 5 -13.118 1.990 17.269 1.00 0.00 N ATOM 0 H ARG B 5 -7.281 -2.468 12.814 1.00 0.00 H new ATOM 0 HA ARG B 5 -8.921 -0.077 12.136 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -9.606 -1.735 13.980 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -8.180 -1.205 14.850 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -9.050 1.180 14.711 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -10.517 0.561 13.979 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -10.803 -0.952 16.023 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -9.444 -0.125 16.758 1.00 0.00 H new ATOM 0 HE ARG B 5 -10.762 1.989 16.631 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -12.640 -1.008 16.403 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -14.101 -0.205 16.987 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -12.649 2.891 17.366 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -14.106 1.901 17.507 1.00 0.00 H new ATOM 1010 N GLU B 6 -5.886 -0.365 13.348 1.00 0.00 N ATOM 1011 CA GLU B 6 -4.534 0.142 13.148 1.00 0.00 C ATOM 1012 C GLU B 6 -4.303 0.515 11.674 1.00 0.00 C ATOM 1013 O GLU B 6 -3.933 1.647 11.369 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.529 -0.918 13.645 1.00 0.00 C ATOM 1015 CG GLU B 6 -2.138 -0.329 13.917 1.00 0.00 C ATOM 1016 CD GLU B 6 -2.112 0.493 15.221 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -2.381 1.719 15.182 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -1.820 -0.080 16.299 1.00 0.00 O ATOM 0 H GLU B 6 -5.912 -1.267 13.823 1.00 0.00 H new ATOM 0 HA GLU B 6 -4.389 1.056 13.724 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -3.911 -1.376 14.558 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.445 -1.711 12.902 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.407 -1.135 13.981 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.841 0.305 13.081 1.00 0.00 H new ATOM 1025 N LEU B 7 -4.612 -0.402 10.748 1.00 0.00 N ATOM 1026 CA LEU B 7 -4.438 -0.170 9.308 1.00 0.00 C ATOM 1027 C LEU B 7 -5.313 0.988 8.775 1.00 0.00 C ATOM 1028 O LEU B 7 -4.779 1.883 8.124 1.00 0.00 O ATOM 1029 CB LEU B 7 -4.447 -1.515 8.544 1.00 0.00 C ATOM 1030 CG LEU B 7 -5.632 -1.788 7.623 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -5.557 -1.016 6.308 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -5.680 -3.274 7.251 1.00 0.00 C ATOM 0 H LEU B 7 -4.988 -1.323 10.975 1.00 0.00 H new ATOM 0 HA LEU B 7 -3.445 0.231 9.104 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -3.536 -1.570 7.948 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -4.397 -2.320 9.277 1.00 0.00 H new ATOM 0 HG LEU B 7 -6.515 -1.471 8.179 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -6.428 -1.253 5.697 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -5.539 0.054 6.515 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.650 -1.297 5.772 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -6.530 -3.457 6.593 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -4.759 -3.551 6.739 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.786 -3.872 8.156 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.609 1.032 9.115 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.563 2.120 8.796 1.00 0.00 C ATOM 1046 C TYR B 8 -7.040 3.495 9.215 1.00 0.00 C ATOM 1047 O TYR B 8 -7.198 4.473 8.484 1.00 0.00 O ATOM 1048 CB TYR B 8 -8.853 1.837 9.600 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.220 2.245 9.074 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.420 3.435 8.347 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.337 1.466 9.448 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.726 3.863 8.040 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.643 1.879 9.120 1.00 0.00 C ATOM 1054 CZ TYR B 8 -12.840 3.093 8.429 1.00 0.00 C ATOM 1055 OH TYR B 8 -14.091 3.551 8.167 1.00 0.00 O ATOM 0 H TYR B 8 -7.047 0.278 9.644 1.00 0.00 H new ATOM 0 HA TYR B 8 -7.725 2.140 7.718 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -8.888 0.762 9.775 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.732 2.314 10.572 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.571 4.020 8.025 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -11.188 0.544 9.991 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -11.875 4.788 7.503 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.490 1.269 9.396 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.751 2.906 8.496 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.424 3.588 10.396 1.00 0.00 N ATOM 1066 CA LYS B 9 -5.918 4.858 10.923 1.00 0.00 C ATOM 1067 C LYS B 9 -4.790 5.443 10.082 1.00 0.00 C ATOM 1068 O LYS B 9 -4.906 6.583 9.647 1.00 0.00 O ATOM 1069 CB LYS B 9 -5.577 4.701 12.414 1.00 0.00 C ATOM 1070 CG LYS B 9 -5.168 6.035 13.051 1.00 0.00 C ATOM 1071 CD LYS B 9 -5.046 5.906 14.575 1.00 0.00 C ATOM 1072 CE LYS B 9 -4.587 7.219 15.227 1.00 0.00 C ATOM 1073 NZ LYS B 9 -3.141 7.484 15.001 1.00 0.00 N ATOM 0 H LYS B 9 -6.263 2.790 11.011 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.707 5.606 10.849 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -6.440 4.296 12.943 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -4.766 3.981 12.527 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -4.216 6.364 12.634 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -5.905 6.800 12.806 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -6.009 5.611 14.992 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -4.337 5.114 14.817 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -5.173 8.046 14.826 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -4.784 7.179 16.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -2.861 8.344 15.515 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -2.582 6.677 15.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -2.967 7.616 13.984 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.756 4.672 9.763 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.731 5.058 8.801 1.00 0.00 C ATOM 1089 C LEU B 10 -3.284 5.295 7.379 1.00 0.00 C ATOM 1090 O LEU B 10 -2.901 6.271 6.734 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.571 4.051 8.851 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.794 4.175 10.183 1.00 0.00 C ATOM 1093 CD1 LEU B 10 -1.276 3.247 11.294 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.696 3.909 9.961 1.00 0.00 C ATOM 0 H LEU B 10 -3.605 3.749 10.171 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.341 6.033 9.092 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -1.958 3.038 8.743 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.896 4.225 8.013 1.00 0.00 H new ATOM 0 HG LEU B 10 -0.979 5.197 10.513 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -0.672 3.405 12.188 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.321 3.461 11.519 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.180 2.211 10.970 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.227 4.001 10.908 1.00 0.00 H new ATOM 0 HD22 LEU B 10 0.831 2.902 9.565 1.00 0.00 H new ATOM 0 HD23 LEU B 10 1.093 4.634 9.251 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.257 4.493 6.931 1.00 0.00 N ATOM 1107 CA GLU B 11 -5.071 4.751 5.730 1.00 0.00 C ATOM 1108 C GLU B 11 -5.766 6.134 5.759 1.00 0.00 C ATOM 1109 O GLU B 11 -5.829 6.795 4.720 1.00 0.00 O ATOM 1110 CB GLU B 11 -6.064 3.572 5.541 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.598 2.488 4.550 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.720 2.838 3.057 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -4.917 3.518 2.399 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.517 2.341 2.235 1.00 0.00 O ATOM 0 H GLU B 11 -4.509 3.624 7.403 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.416 4.801 4.860 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.242 3.106 6.510 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -7.019 3.971 5.199 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.555 2.254 4.763 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.173 1.581 4.738 1.00 0.00 H new ATOM 1121 N GLN B 12 -6.207 6.637 6.925 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.807 7.968 7.064 1.00 0.00 C ATOM 1123 C GLN B 12 -5.829 9.106 7.384 1.00 0.00 C ATOM 1124 O GLN B 12 -6.089 10.258 7.039 1.00 0.00 O ATOM 1125 CB GLN B 12 -7.916 7.907 8.109 1.00 0.00 C ATOM 1126 CG GLN B 12 -9.120 7.178 7.511 1.00 0.00 C ATOM 1127 CD GLN B 12 -10.311 7.171 8.466 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -11.345 7.779 8.221 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -10.211 6.505 9.597 1.00 0.00 N ATOM 0 H GLN B 12 -6.155 6.123 7.804 1.00 0.00 H new ATOM 0 HA GLN B 12 -7.200 8.222 6.080 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.566 7.387 9.001 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -8.199 8.913 8.417 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -9.407 7.658 6.575 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.841 6.152 7.271 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -9.355 5.994 9.814 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -10.989 6.500 10.256 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.677 8.811 7.976 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.599 9.790 8.166 1.00 0.00 C ATOM 1140 C GLN B 13 -2.960 10.190 6.834 1.00 0.00 C ATOM 1141 O GLN B 13 -2.628 11.364 6.659 1.00 0.00 O ATOM 1142 CB GLN B 13 -2.540 9.263 9.148 1.00 0.00 C ATOM 1143 CG GLN B 13 -3.030 9.357 10.603 1.00 0.00 C ATOM 1144 CD GLN B 13 -1.988 8.879 11.611 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -2.187 7.924 12.350 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -0.846 9.528 11.712 1.00 0.00 N ATOM 0 H GLN B 13 -4.458 7.884 8.341 1.00 0.00 H new ATOM 0 HA GLN B 13 -4.045 10.686 8.598 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -2.303 8.226 8.908 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -1.619 9.835 9.035 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -3.297 10.390 10.826 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -3.937 8.762 10.715 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -0.658 10.327 11.106 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -0.150 9.231 12.396 1.00 0.00 H new ATOM 1155 N ALA B 14 -2.877 9.275 5.861 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.521 9.629 4.490 1.00 0.00 C ATOM 1157 C ALA B 14 -3.607 10.520 3.871 1.00 0.00 C ATOM 1158 O ALA B 14 -3.281 11.524 3.252 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.301 8.343 3.683 1.00 0.00 C ATOM 0 H ALA B 14 -3.053 8.280 6.003 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.594 10.203 4.479 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.035 8.598 2.657 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.495 7.764 4.134 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.217 7.752 3.684 1.00 0.00 H new ATOM 1165 N MET B 15 -4.892 10.217 4.094 1.00 0.00 N ATOM 1166 CA MET B 15 -6.020 11.019 3.580 1.00 0.00 C ATOM 1167 C MET B 15 -6.044 12.452 4.140 1.00 0.00 C ATOM 1168 O MET B 15 -6.223 13.404 3.379 1.00 0.00 O ATOM 1169 CB MET B 15 -7.334 10.279 3.883 1.00 0.00 C ATOM 1170 CG MET B 15 -8.605 11.058 3.515 1.00 0.00 C ATOM 1171 SD MET B 15 -9.836 10.066 2.639 1.00 0.00 S ATOM 1172 CE MET B 15 -8.984 10.076 1.045 1.00 0.00 C ATOM 0 H MET B 15 -5.185 9.405 4.638 1.00 0.00 H new ATOM 0 HA MET B 15 -5.895 11.129 2.503 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.335 9.332 3.344 1.00 0.00 H new ATOM 0 HB3 MET B 15 -7.365 10.040 4.946 1.00 0.00 H new ATOM 0 HG2 MET B 15 -9.053 11.456 4.425 1.00 0.00 H new ATOM 0 HG3 MET B 15 -8.331 11.912 2.895 1.00 0.00 H new ATOM 0 HE1 MET B 15 -9.434 9.332 0.387 1.00 0.00 H new ATOM 0 HE2 MET B 15 -9.073 11.063 0.591 1.00 0.00 H new ATOM 0 HE3 MET B 15 -7.931 9.839 1.194 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.811 12.635 5.446 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.662 13.967 6.063 1.00 0.00 C ATOM 1184 C LYS B 16 -4.471 14.740 5.496 1.00 0.00 C ATOM 1185 O LYS B 16 -4.605 15.926 5.193 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.563 13.832 7.593 1.00 0.00 C ATOM 1187 CG LYS B 16 -6.943 13.859 8.272 1.00 0.00 C ATOM 1188 CD LYS B 16 -7.514 15.290 8.350 1.00 0.00 C ATOM 1189 CE LYS B 16 -8.959 15.341 8.866 1.00 0.00 C ATOM 1190 NZ LYS B 16 -9.077 14.918 10.287 1.00 0.00 N ATOM 0 H LYS B 16 -5.720 11.865 6.109 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.551 14.548 5.817 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -5.057 12.899 7.841 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.950 14.642 7.988 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -7.633 13.222 7.719 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -6.862 13.444 9.277 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -6.881 15.891 9.003 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -7.473 15.744 7.360 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -9.342 16.356 8.760 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -9.584 14.698 8.247 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -10.072 14.971 10.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -8.738 13.940 10.387 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -8.503 15.546 10.885 1.00 0.00 H new ATOM 1204 N LEU B 17 -3.341 14.066 5.269 1.00 0.00 N ATOM 1205 CA LEU B 17 -2.215 14.635 4.519 1.00 0.00 C ATOM 1206 C LEU B 17 -2.602 15.019 3.082 1.00 0.00 C ATOM 1207 O LEU B 17 -2.246 16.100 2.620 1.00 0.00 O ATOM 1208 CB LEU B 17 -1.029 13.651 4.534 1.00 0.00 C ATOM 1209 CG LEU B 17 0.176 14.204 5.308 1.00 0.00 C ATOM 1210 CD1 LEU B 17 1.237 13.116 5.424 1.00 0.00 C ATOM 1211 CD2 LEU B 17 0.812 15.427 4.643 1.00 0.00 C ATOM 0 H LEU B 17 -3.179 13.114 5.598 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.918 15.560 5.013 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.346 12.710 4.983 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.730 13.430 3.509 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.194 14.515 6.285 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.096 13.502 5.973 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.823 12.259 5.955 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.552 12.808 4.427 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.657 15.768 5.241 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.158 15.160 3.645 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.074 16.226 4.570 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.372 14.173 2.395 1.00 0.00 N ATOM 1224 CA TYR B 18 -3.830 14.373 1.020 1.00 0.00 C ATOM 1225 C TYR B 18 -4.788 15.570 0.864 1.00 0.00 C ATOM 1226 O TYR B 18 -4.735 16.251 -0.162 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.432 13.062 0.478 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.461 12.206 -0.317 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -2.931 12.698 -1.523 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.083 10.929 0.139 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -1.969 11.955 -2.234 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -2.107 10.188 -0.553 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.527 10.714 -1.729 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.554 10.028 -2.386 1.00 0.00 O ATOM 0 H TYR B 18 -3.706 13.297 2.797 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.962 14.635 0.415 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -4.811 12.477 1.316 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.286 13.303 -0.154 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.264 13.651 -1.906 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -3.544 10.516 1.024 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.571 12.334 -3.163 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.802 9.219 -0.186 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.363 9.194 -1.909 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.602 15.895 1.883 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.401 17.139 1.925 1.00 0.00 C ATOM 1246 C ARG B 19 -5.510 18.384 1.834 1.00 0.00 C ATOM 1247 O ARG B 19 -5.758 19.268 1.018 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.271 17.179 3.201 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.281 18.344 3.173 1.00 0.00 C ATOM 1250 CD ARG B 19 -8.807 18.737 4.560 1.00 0.00 C ATOM 1251 NE ARG B 19 -9.747 17.751 5.129 1.00 0.00 N ATOM 1252 CZ ARG B 19 -10.460 17.913 6.230 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -10.340 18.969 6.985 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -11.319 17.008 6.604 1.00 0.00 N ATOM 0 H ARG B 19 -5.727 15.303 2.704 1.00 0.00 H new ATOM 0 HA ARG B 19 -7.058 17.143 1.055 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -7.808 16.236 3.304 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -6.628 17.277 4.076 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -7.808 19.212 2.714 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -9.124 18.068 2.539 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -7.964 18.859 5.240 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -9.304 19.705 4.492 1.00 0.00 H new ATOM 0 HE ARG B 19 -9.856 16.868 4.629 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -9.679 19.704 6.733 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -10.907 19.060 7.828 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -11.447 16.164 6.045 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -11.864 17.143 7.456 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.454 18.449 2.645 1.00 0.00 N ATOM 1269 CA GLU B 20 -3.509 19.579 2.653 1.00 0.00 C ATOM 1270 C GLU B 20 -2.626 19.601 1.408 1.00 0.00 C ATOM 1271 O GLU B 20 -2.403 20.650 0.805 1.00 0.00 O ATOM 1272 CB GLU B 20 -2.607 19.473 3.887 1.00 0.00 C ATOM 1273 CG GLU B 20 -2.105 20.852 4.334 1.00 0.00 C ATOM 1274 CD GLU B 20 -0.966 20.718 5.357 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -1.238 20.656 6.582 1.00 0.00 O ATOM 1276 OE2 GLU B 20 0.214 20.688 4.929 1.00 0.00 O ATOM 0 H GLU B 20 -4.224 17.719 3.320 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.096 20.497 2.670 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.157 19.003 4.702 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.756 18.829 3.663 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -1.756 21.414 3.468 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -2.927 21.418 4.772 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.170 18.422 0.992 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.452 18.237 -0.263 1.00 0.00 C ATOM 1285 C ALA B 21 -2.251 18.766 -1.465 1.00 0.00 C ATOM 1286 O ALA B 21 -1.639 19.304 -2.377 1.00 0.00 O ATOM 1287 CB ALA B 21 -1.075 16.767 -0.446 1.00 0.00 C ATOM 0 H ALA B 21 -2.291 17.560 1.524 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.535 18.824 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.539 16.643 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.437 16.450 0.379 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -1.979 16.159 -0.460 1.00 0.00 H new ATOM 1293 N SER B 22 -3.590 18.700 -1.451 1.00 0.00 N ATOM 1294 CA SER B 22 -4.457 19.325 -2.467 1.00 0.00 C ATOM 1295 C SER B 22 -4.365 20.862 -2.483 1.00 0.00 C ATOM 1296 O SER B 22 -4.426 21.476 -3.549 1.00 0.00 O ATOM 1297 CB SER B 22 -5.911 18.884 -2.260 1.00 0.00 C ATOM 1298 OG SER B 22 -6.687 19.155 -3.416 1.00 0.00 O ATOM 0 H SER B 22 -4.110 18.206 -0.726 1.00 0.00 H new ATOM 0 HA SER B 22 -4.098 18.983 -3.438 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.944 17.818 -2.035 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.335 19.404 -1.401 1.00 0.00 H new ATOM 0 HG SER B 22 -7.611 18.865 -3.265 1.00 0.00 H new ATOM 1304 N GLU B 23 -4.154 21.505 -1.326 1.00 0.00 N ATOM 1305 CA GLU B 23 -3.916 22.956 -1.237 1.00 0.00 C ATOM 1306 C GLU B 23 -2.535 23.356 -1.779 1.00 0.00 C ATOM 1307 O GLU B 23 -2.402 24.356 -2.486 1.00 0.00 O ATOM 1308 CB GLU B 23 -4.052 23.409 0.222 1.00 0.00 C ATOM 1309 CG GLU B 23 -4.372 24.905 0.334 1.00 0.00 C ATOM 1310 CD GLU B 23 -4.542 25.329 1.805 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -3.540 25.725 2.448 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -5.684 25.285 2.326 1.00 0.00 O ATOM 0 H GLU B 23 -4.143 21.034 -0.422 1.00 0.00 H new ATOM 0 HA GLU B 23 -4.663 23.451 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -4.839 22.833 0.708 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -3.126 23.196 0.755 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -3.572 25.486 -0.125 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -5.285 25.127 -0.219 1.00 0.00 H new ATOM 1319 N LYS B 24 -1.509 22.547 -1.486 1.00 0.00 N ATOM 1320 CA LYS B 24 -0.163 22.694 -2.080 1.00 0.00 C ATOM 1321 C LYS B 24 -0.197 22.442 -3.600 1.00 0.00 C ATOM 1322 O LYS B 24 0.337 23.233 -4.377 1.00 0.00 O ATOM 1323 CB LYS B 24 0.850 21.769 -1.372 1.00 0.00 C ATOM 1324 CG LYS B 24 1.413 22.308 -0.042 1.00 0.00 C ATOM 1325 CD LYS B 24 0.408 22.398 1.122 1.00 0.00 C ATOM 1326 CE LYS B 24 1.041 23.020 2.376 1.00 0.00 C ATOM 1327 NZ LYS B 24 1.855 22.051 3.155 1.00 0.00 N ATOM 0 H LYS B 24 -1.583 21.769 -0.830 1.00 0.00 H new ATOM 0 HA LYS B 24 0.166 23.722 -1.930 1.00 0.00 H new ATOM 0 HB2 LYS B 24 0.370 20.809 -1.182 1.00 0.00 H new ATOM 0 HB3 LYS B 24 1.682 21.581 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS B 24 2.241 21.670 0.266 1.00 0.00 H new ATOM 0 HG3 LYS B 24 1.825 23.301 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -0.451 22.994 0.815 1.00 0.00 H new ATOM 0 HD3 LYS B 24 0.036 21.401 1.359 1.00 0.00 H new ATOM 0 HE2 LYS B 24 1.670 23.860 2.081 1.00 0.00 H new ATOM 0 HE3 LYS B 24 0.253 23.420 3.014 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 2.503 22.568 3.783 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 1.227 21.449 3.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 2.406 21.457 2.503 1.00 0.00 H new ATOM 1341 N ALA B 25 -0.917 21.406 -4.027 1.00 0.00 N ATOM 1342 CA ALA B 25 -1.206 21.010 -5.408 1.00 0.00 C ATOM 1343 C ALA B 25 -2.307 21.859 -6.084 1.00 0.00 C ATOM 1344 O ALA B 25 -3.106 21.337 -6.864 1.00 0.00 O ATOM 1345 CB ALA B 25 -1.574 19.517 -5.402 1.00 0.00 C ATOM 0 H ALA B 25 -1.351 20.767 -3.361 1.00 0.00 H new ATOM 0 HA ALA B 25 -0.315 21.189 -6.009 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -1.795 19.193 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -0.738 18.938 -5.010 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -2.450 19.361 -4.773 1.00 0.00 H new ATOM 1351 N ARG B 26 -2.378 23.169 -5.803 1.00 0.00 N ATOM 1352 CA ARG B 26 -3.346 24.107 -6.402 1.00 0.00 C ATOM 1353 C ARG B 26 -3.336 24.164 -7.942 1.00 0.00 C ATOM 1354 O ARG B 26 -4.335 24.554 -8.547 1.00 0.00 O ATOM 1355 CB ARG B 26 -3.123 25.486 -5.762 1.00 0.00 C ATOM 1356 CG ARG B 26 -1.772 26.123 -6.154 1.00 0.00 C ATOM 1357 CD ARG B 26 -1.147 26.878 -4.979 1.00 0.00 C ATOM 1358 NE ARG B 26 0.041 27.643 -5.408 1.00 0.00 N ATOM 1359 CZ ARG B 26 0.829 28.377 -4.643 1.00 0.00 C ATOM 1360 NH1 ARG B 26 0.625 28.514 -3.363 1.00 0.00 N ATOM 1361 NH2 ARG B 26 1.854 28.995 -5.158 1.00 0.00 N ATOM 0 H ARG B 26 -1.750 23.619 -5.137 1.00 0.00 H new ATOM 0 HA ARG B 26 -4.348 23.737 -6.183 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -3.932 26.153 -6.059 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -3.171 25.389 -4.677 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -1.087 25.346 -6.494 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -1.920 26.807 -6.990 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -1.883 27.556 -4.546 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -0.866 26.172 -4.198 1.00 0.00 H new ATOM 0 HE ARG B 26 0.278 27.600 -6.399 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -0.165 28.046 -2.920 1.00 0.00 H new ATOM 0 HH12 ARG B 26 1.256 29.089 -2.805 1.00 0.00 H new ATOM 0 HH21 ARG B 26 2.051 28.913 -6.156 1.00 0.00 H new ATOM 0 HH22 ARG B 26 2.460 29.561 -4.564 1.00 0.00 H new ATOM 1375 N ASN B 27 -2.229 23.764 -8.577 1.00 0.00 N ATOM 1376 CA ASN B 27 -2.103 23.590 -10.027 1.00 0.00 C ATOM 1377 C ASN B 27 -3.030 22.455 -10.542 1.00 0.00 C ATOM 1378 O ASN B 27 -3.028 21.363 -9.962 1.00 0.00 O ATOM 1379 CB ASN B 27 -0.619 23.305 -10.331 1.00 0.00 C ATOM 1380 CG ASN B 27 -0.345 23.160 -11.819 1.00 0.00 C ATOM 1381 OD1 ASN B 27 -0.762 22.205 -12.454 1.00 0.00 O ATOM 1382 ND2 ASN B 27 0.332 24.105 -12.429 1.00 0.00 N ATOM 0 H ASN B 27 -1.367 23.545 -8.078 1.00 0.00 H new ATOM 0 HA ASN B 27 -2.420 24.493 -10.549 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -0.008 24.114 -9.930 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -0.316 22.392 -9.819 1.00 0.00 H new ATOM 0 HD21 ASN B 27 0.508 24.040 -13.432 1.00 0.00 H new ATOM 0 HD22 ASN B 27 0.682 24.904 -11.900 1.00 0.00 H new ATOM 1389 N PRO B 28 -3.787 22.652 -11.642 1.00 0.00 N ATOM 1390 CA PRO B 28 -4.815 21.707 -12.091 1.00 0.00 C ATOM 1391 C PRO B 28 -4.269 20.358 -12.589 1.00 0.00 C ATOM 1392 O PRO B 28 -5.018 19.382 -12.627 1.00 0.00 O ATOM 1393 CB PRO B 28 -5.594 22.441 -13.188 1.00 0.00 C ATOM 1394 CG PRO B 28 -4.569 23.419 -13.755 1.00 0.00 C ATOM 1395 CD PRO B 28 -3.758 23.812 -12.522 1.00 0.00 C ATOM 0 HA PRO B 28 -5.445 21.424 -11.248 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.958 21.753 -13.951 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.464 22.959 -12.785 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.945 22.954 -14.518 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -5.047 24.283 -14.217 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.735 24.071 -12.793 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -4.189 24.685 -12.032 1.00 0.00 H new ATOM 1403 N GLU B 29 -2.982 20.268 -12.941 1.00 0.00 N ATOM 1404 CA GLU B 29 -2.326 19.005 -13.314 1.00 0.00 C ATOM 1405 C GLU B 29 -2.235 18.076 -12.103 1.00 0.00 C ATOM 1406 O GLU B 29 -2.814 16.990 -12.082 1.00 0.00 O ATOM 1407 CB GLU B 29 -0.925 19.279 -13.888 1.00 0.00 C ATOM 1408 CG GLU B 29 -0.256 18.020 -14.467 1.00 0.00 C ATOM 1409 CD GLU B 29 1.240 17.964 -14.108 1.00 0.00 C ATOM 1410 OE1 GLU B 29 1.577 17.487 -12.997 1.00 0.00 O ATOM 1411 OE2 GLU B 29 2.088 18.400 -14.925 1.00 0.00 O ATOM 0 H GLU B 29 -2.359 21.075 -12.976 1.00 0.00 H new ATOM 0 HA GLU B 29 -2.925 18.515 -14.082 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -1.000 20.036 -14.669 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.291 19.692 -13.103 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.757 17.131 -14.084 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.372 18.010 -15.551 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.567 18.557 -11.052 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.433 17.861 -9.765 1.00 0.00 C ATOM 1420 C LYS B 30 -2.801 17.598 -9.137 1.00 0.00 C ATOM 1421 O LYS B 30 -3.063 16.466 -8.725 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.506 18.644 -8.816 1.00 0.00 C ATOM 1423 CG LYS B 30 0.955 18.756 -9.285 1.00 0.00 C ATOM 1424 CD LYS B 30 1.674 17.396 -9.285 1.00 0.00 C ATOM 1425 CE LYS B 30 3.166 17.495 -9.627 1.00 0.00 C ATOM 1426 NZ LYS B 30 3.393 18.026 -10.995 1.00 0.00 N ATOM 0 H LYS B 30 -1.093 19.460 -11.070 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.972 16.890 -9.946 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -0.908 19.649 -8.685 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.523 18.164 -7.837 1.00 0.00 H new ATOM 0 HG2 LYS B 30 0.980 19.178 -10.290 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.491 19.448 -8.635 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.564 16.935 -8.303 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.187 16.736 -10.003 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.661 18.140 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.623 16.509 -9.541 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 4.355 17.783 -11.307 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.701 17.608 -11.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 3.282 19.060 -10.989 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.716 18.578 -9.185 1.00 0.00 N ATOM 1441 CA LYS B 31 -5.128 18.444 -8.769 1.00 0.00 C ATOM 1442 C LYS B 31 -5.960 17.446 -9.599 1.00 0.00 C ATOM 1443 O LYS B 31 -7.095 17.152 -9.229 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.783 19.837 -8.680 1.00 0.00 C ATOM 1445 CG LYS B 31 -6.914 19.875 -7.638 1.00 0.00 C ATOM 1446 CD LYS B 31 -7.330 21.312 -7.297 1.00 0.00 C ATOM 1447 CE LYS B 31 -8.453 21.278 -6.254 1.00 0.00 C ATOM 1448 NZ LYS B 31 -8.860 22.644 -5.834 1.00 0.00 N ATOM 0 H LYS B 31 -3.492 19.514 -9.523 1.00 0.00 H new ATOM 0 HA LYS B 31 -5.116 17.993 -7.777 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -5.026 20.578 -8.421 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -6.180 20.114 -9.657 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.777 19.328 -8.018 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.589 19.366 -6.731 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -6.476 21.869 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.668 21.828 -8.196 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.315 20.753 -6.665 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.122 20.714 -5.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -9.621 22.578 -5.128 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -8.044 23.137 -5.418 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.200 23.175 -6.661 1.00 0.00 H new ATOM 1462 N SER B 32 -5.391 16.858 -10.655 1.00 0.00 N ATOM 1463 CA SER B 32 -5.981 15.759 -11.441 1.00 0.00 C ATOM 1464 C SER B 32 -5.138 14.472 -11.422 1.00 0.00 C ATOM 1465 O SER B 32 -5.458 13.511 -12.124 1.00 0.00 O ATOM 1466 CB SER B 32 -6.242 16.208 -12.888 1.00 0.00 C ATOM 1467 OG SER B 32 -7.012 17.398 -12.938 1.00 0.00 O ATOM 0 H SER B 32 -4.475 17.141 -11.002 1.00 0.00 H new ATOM 0 HA SER B 32 -6.928 15.514 -10.960 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.291 16.368 -13.396 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.762 15.416 -13.427 1.00 0.00 H new ATOM 0 HG SER B 32 -6.422 18.174 -12.837 1.00 0.00 H new ATOM 1473 N VAL B 33 -4.105 14.419 -10.573 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.278 13.228 -10.305 1.00 0.00 C ATOM 1475 C VAL B 33 -3.480 12.758 -8.864 1.00 0.00 C ATOM 1476 O VAL B 33 -3.780 11.582 -8.656 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.789 13.504 -10.613 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -0.869 12.356 -10.175 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.572 13.706 -12.119 1.00 0.00 C ATOM 0 H VAL B 33 -3.808 15.231 -10.032 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.598 12.425 -10.969 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.537 14.403 -10.051 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.164 12.605 -10.416 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.964 12.204 -9.100 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.153 11.442 -10.697 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.517 13.899 -12.312 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.881 12.808 -12.655 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.164 14.555 -12.461 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.430 13.653 -7.864 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.712 13.279 -6.483 1.00 0.00 C ATOM 1491 C LEU B 34 -5.220 13.033 -6.255 1.00 0.00 C ATOM 1492 O LEU B 34 -5.584 12.322 -5.324 1.00 0.00 O ATOM 1493 CB LEU B 34 -3.015 14.278 -5.533 1.00 0.00 C ATOM 1494 CG LEU B 34 -3.907 15.357 -4.921 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -3.196 16.069 -3.771 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -4.378 16.431 -5.891 1.00 0.00 C ATOM 0 H LEU B 34 -3.197 14.637 -7.993 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.279 12.308 -6.242 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.552 13.715 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.210 14.768 -6.081 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.784 14.805 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.853 16.832 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.942 15.345 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.285 16.538 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.004 17.150 -5.362 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.514 16.944 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.954 15.970 -6.693 1.00 0.00 H new ATOM 1508 N GLN B 35 -6.103 13.550 -7.128 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.551 13.320 -7.045 1.00 0.00 C ATOM 1510 C GLN B 35 -7.940 11.855 -7.316 1.00 0.00 C ATOM 1511 O GLN B 35 -8.882 11.348 -6.705 1.00 0.00 O ATOM 1512 CB GLN B 35 -8.277 14.296 -7.983 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.806 14.238 -7.839 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.496 15.363 -8.610 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -10.720 16.456 -8.105 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -10.873 15.144 -9.853 1.00 0.00 N ATOM 0 H GLN B 35 -5.828 14.141 -7.913 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.868 13.514 -6.020 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -7.936 15.311 -7.778 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -8.005 14.071 -9.014 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -10.168 13.276 -8.200 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -10.074 14.304 -6.784 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -10.694 14.239 -10.288 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -11.344 15.879 -10.380 1.00 0.00 H new ATOM 1525 N LYS B 36 -7.201 11.142 -8.178 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.442 9.709 -8.437 1.00 0.00 C ATOM 1527 C LYS B 36 -7.063 8.842 -7.237 1.00 0.00 C ATOM 1528 O LYS B 36 -7.825 7.954 -6.863 1.00 0.00 O ATOM 1529 CB LYS B 36 -6.680 9.250 -9.694 1.00 0.00 C ATOM 1530 CG LYS B 36 -7.156 9.957 -10.975 1.00 0.00 C ATOM 1531 CD LYS B 36 -6.385 9.500 -12.226 1.00 0.00 C ATOM 1532 CE LYS B 36 -6.569 8.017 -12.594 1.00 0.00 C ATOM 1533 NZ LYS B 36 -7.956 7.710 -13.041 1.00 0.00 N ATOM 0 H LYS B 36 -6.426 11.535 -8.712 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.511 9.585 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -5.615 9.438 -9.556 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -6.801 8.173 -9.813 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -8.219 9.764 -11.118 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -7.040 11.034 -10.855 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -6.699 10.111 -13.072 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -5.323 9.692 -12.071 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -5.868 7.752 -13.386 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -6.323 7.398 -11.731 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -8.029 6.700 -13.277 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -8.625 7.936 -12.277 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -8.184 8.279 -13.881 1.00 0.00 H new ATOM 1547 N ILE B 37 -5.937 9.151 -6.589 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.541 8.546 -5.308 1.00 0.00 C ATOM 1549 C ILE B 37 -6.585 8.884 -4.235 1.00 0.00 C ATOM 1550 O ILE B 37 -7.068 7.972 -3.578 1.00 0.00 O ATOM 1551 CB ILE B 37 -4.132 9.034 -4.887 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -3.033 8.689 -5.911 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.790 8.508 -3.480 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.622 9.189 -5.574 1.00 0.00 C ATOM 0 H ILE B 37 -5.266 9.834 -6.940 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.495 7.463 -5.422 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.164 10.123 -4.859 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -2.996 7.606 -6.024 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.322 9.101 -6.878 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.798 8.856 -3.193 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.525 8.877 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.805 7.418 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.932 8.889 -6.363 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.631 10.276 -5.493 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.300 8.757 -4.626 1.00 0.00 H new ATOM 1566 N LEU B 38 -7.000 10.149 -4.091 1.00 0.00 N ATOM 1567 CA LEU B 38 -8.066 10.550 -3.161 1.00 0.00 C ATOM 1568 C LEU B 38 -9.351 9.726 -3.352 1.00 0.00 C ATOM 1569 O LEU B 38 -9.915 9.248 -2.368 1.00 0.00 O ATOM 1570 CB LEU B 38 -8.368 12.054 -3.322 1.00 0.00 C ATOM 1571 CG LEU B 38 -7.459 13.000 -2.514 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -7.642 14.444 -2.983 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -7.814 12.943 -1.028 1.00 0.00 C ATOM 0 H LEU B 38 -6.605 10.927 -4.618 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.707 10.354 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.286 12.313 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -9.402 12.233 -3.029 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.429 12.679 -2.668 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.993 15.100 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.383 14.519 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.681 14.744 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.162 13.617 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.852 13.246 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.681 11.925 -0.661 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.801 9.515 -4.595 1.00 0.00 N ATOM 1586 CA GLU B 39 -11.014 8.732 -4.862 1.00 0.00 C ATOM 1587 C GLU B 39 -10.843 7.238 -4.559 1.00 0.00 C ATOM 1588 O GLU B 39 -11.726 6.616 -3.966 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.457 8.968 -6.316 1.00 0.00 C ATOM 1590 CG GLU B 39 -12.821 8.344 -6.636 1.00 0.00 C ATOM 1591 CD GLU B 39 -13.240 8.642 -8.090 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -13.734 9.762 -8.370 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -13.097 7.751 -8.964 1.00 0.00 O ATOM 0 H GLU B 39 -9.343 9.876 -5.432 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.794 9.077 -4.183 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.500 10.040 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.707 8.554 -6.990 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.777 7.266 -6.481 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -13.573 8.734 -5.950 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.688 6.671 -4.895 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.292 5.321 -4.533 1.00 0.00 C ATOM 1602 C ASP B 40 -9.189 5.131 -3.010 1.00 0.00 C ATOM 1603 O ASP B 40 -9.625 4.108 -2.490 1.00 0.00 O ATOM 1604 CB ASP B 40 -7.938 5.084 -5.205 1.00 0.00 C ATOM 1605 CG ASP B 40 -7.997 4.600 -6.664 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -9.092 4.450 -7.259 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -6.896 4.360 -7.210 1.00 0.00 O ATOM 0 H ASP B 40 -8.981 7.158 -5.445 1.00 0.00 H new ATOM 0 HA ASP B 40 -10.041 4.603 -4.866 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.368 6.013 -5.172 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.385 4.350 -4.619 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.667 6.114 -2.268 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.557 6.007 -0.806 1.00 0.00 C ATOM 1614 C GLU B 41 -9.943 6.113 -0.150 1.00 0.00 C ATOM 1615 O GLU B 41 -10.250 5.359 0.772 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.602 7.055 -0.196 1.00 0.00 C ATOM 1617 CG GLU B 41 -6.095 7.014 -0.536 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.420 5.644 -0.490 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -5.919 4.678 0.140 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -4.327 5.484 -1.092 1.00 0.00 O ATOM 0 H GLU B 41 -8.315 6.991 -2.653 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.129 5.026 -0.600 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -7.973 8.039 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.692 6.985 0.888 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -5.960 7.427 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.572 7.675 0.155 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.821 6.977 -0.662 1.00 0.00 N ATOM 1628 CA GLU B 42 -12.226 7.037 -0.241 1.00 0.00 C ATOM 1629 C GLU B 42 -12.942 5.692 -0.475 1.00 0.00 C ATOM 1630 O GLU B 42 -13.669 5.223 0.406 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.911 8.222 -0.945 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.195 8.720 -0.259 1.00 0.00 C ATOM 1633 CD GLU B 42 -15.449 7.860 -0.519 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -15.685 7.442 -1.678 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -16.252 7.671 0.428 1.00 0.00 O ATOM 0 H GLU B 42 -10.579 7.658 -1.382 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.283 7.209 0.834 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.204 9.049 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -13.151 7.931 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -14.020 8.765 0.816 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.396 9.738 -0.592 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.646 5.009 -1.594 1.00 0.00 N ATOM 1643 CA LYS B 43 -13.090 3.634 -1.878 1.00 0.00 C ATOM 1644 C LYS B 43 -12.635 2.642 -0.802 1.00 0.00 C ATOM 1645 O LYS B 43 -13.451 1.865 -0.310 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.595 3.187 -3.271 1.00 0.00 C ATOM 1647 CG LYS B 43 -13.704 2.667 -4.194 1.00 0.00 C ATOM 1648 CD LYS B 43 -14.533 3.811 -4.795 1.00 0.00 C ATOM 1649 CE LYS B 43 -15.524 3.254 -5.824 1.00 0.00 C ATOM 1650 NZ LYS B 43 -16.257 4.342 -6.523 1.00 0.00 N ATOM 0 H LYS B 43 -12.079 5.407 -2.343 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.180 3.637 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.099 4.028 -3.755 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -11.846 2.405 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.261 2.079 -4.998 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.359 2.000 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -15.072 4.335 -4.005 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -13.874 4.539 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -14.988 2.648 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -16.236 2.597 -5.325 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -16.918 3.929 -7.211 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -16.788 4.905 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -15.579 4.954 -7.019 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.366 2.675 -0.379 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.828 1.806 0.648 1.00 0.00 C ATOM 1666 C HIS B 44 -11.524 2.011 1.990 1.00 0.00 C ATOM 1667 O HIS B 44 -11.855 1.032 2.650 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.330 2.104 0.762 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.498 1.881 -0.475 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -7.153 2.269 -0.638 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -8.948 1.312 -1.628 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.870 1.951 -1.927 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.926 1.388 -2.531 1.00 0.00 N ATOM 0 H HIS B 44 -10.677 3.325 -0.757 1.00 0.00 H new ATOM 0 HA HIS B 44 -10.997 0.765 0.373 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -9.212 3.144 1.068 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.921 1.488 1.563 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -9.925 0.883 -1.796 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.917 2.129 -2.404 1.00 0.00 H new ATOM 0 HE2 HIS B 44 -7.960 1.071 -3.500 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.791 3.263 2.372 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.506 3.615 3.600 1.00 0.00 C ATOM 1683 C ILE B 45 -13.951 3.083 3.587 1.00 0.00 C ATOM 1684 O ILE B 45 -14.398 2.595 4.623 1.00 0.00 O ATOM 1685 CB ILE B 45 -12.389 5.144 3.852 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -11.116 5.491 4.666 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.594 5.715 4.617 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.784 5.403 3.916 1.00 0.00 C ATOM 0 H ILE B 45 -11.510 4.076 1.824 1.00 0.00 H new ATOM 0 HA ILE B 45 -12.040 3.120 4.452 1.00 0.00 H new ATOM 0 HB ILE B 45 -12.345 5.592 2.859 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -11.224 6.504 5.053 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -11.068 4.824 5.527 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -13.457 6.786 4.764 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -14.505 5.541 4.044 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.676 5.223 5.586 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.969 5.668 4.590 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.638 4.386 3.552 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.796 6.092 3.072 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.671 3.070 2.452 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.980 2.414 2.371 1.00 0.00 C ATOM 1702 C GLU B 46 -15.901 0.928 2.729 1.00 0.00 C ATOM 1703 O GLU B 46 -16.706 0.431 3.515 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.587 2.535 0.965 1.00 0.00 C ATOM 1705 CG GLU B 46 -17.056 3.942 0.603 1.00 0.00 C ATOM 1706 CD GLU B 46 -17.956 3.917 -0.650 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -17.457 3.643 -1.769 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -19.185 4.152 -0.521 1.00 0.00 O ATOM 0 H GLU B 46 -14.366 3.506 1.582 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.614 2.927 3.094 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.847 2.212 0.233 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.432 1.851 0.887 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -17.604 4.374 1.441 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -16.193 4.582 0.423 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.920 0.215 2.178 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.754 -1.217 2.384 1.00 0.00 C ATOM 1717 C TRP B 47 -14.253 -1.535 3.797 1.00 0.00 C ATOM 1718 O TRP B 47 -14.758 -2.448 4.443 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.783 -1.751 1.330 1.00 0.00 C ATOM 1720 CG TRP B 47 -14.019 -1.368 -0.106 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -15.183 -0.975 -0.677 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -13.020 -1.303 -1.167 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -14.945 -0.610 -1.997 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.631 -0.827 -2.359 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.650 -1.616 -1.229 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -12.911 -0.670 -3.554 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -10.909 -1.468 -2.418 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.539 -0.987 -3.581 1.00 0.00 C ATOM 0 H TRP B 47 -14.211 0.624 1.569 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.723 -1.705 2.280 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.780 -1.422 1.603 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.789 -2.839 1.391 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -16.144 -0.949 -0.185 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.655 -0.228 -2.622 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -11.153 -1.979 -0.342 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.405 -0.309 -4.444 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -9.860 -1.723 -2.437 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -10.972 -0.861 -4.492 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.314 -0.741 4.309 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.828 -0.782 5.688 1.00 0.00 C ATOM 1741 C LEU B 48 -13.954 -0.574 6.704 1.00 0.00 C ATOM 1742 O LEU B 48 -14.068 -1.346 7.653 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.732 0.292 5.827 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.362 -0.138 5.280 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.432 1.073 5.179 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.687 -1.178 6.178 1.00 0.00 C ATOM 0 H LEU B 48 -12.852 -0.022 3.752 1.00 0.00 H new ATOM 0 HA LEU B 48 -12.419 -1.769 5.905 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -12.053 1.194 5.305 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -11.626 0.554 6.880 1.00 0.00 H new ATOM 0 HG LEU B 48 -10.538 -0.577 4.298 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.464 0.757 4.790 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -9.869 1.812 4.508 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -9.300 1.514 6.167 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.722 -1.453 5.754 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -9.540 -0.759 7.173 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -10.319 -2.064 6.247 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.840 0.394 6.477 1.00 0.00 N ATOM 1759 CA GLU B 49 -16.067 0.566 7.271 1.00 0.00 C ATOM 1760 C GLU B 49 -16.996 -0.642 7.148 1.00 0.00 C ATOM 1761 O GLU B 49 -17.515 -1.141 8.149 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.830 1.820 6.819 1.00 0.00 C ATOM 1763 CG GLU B 49 -17.805 2.309 7.897 1.00 0.00 C ATOM 1764 CD GLU B 49 -18.603 3.538 7.421 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.656 3.363 6.759 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -18.204 4.689 7.727 1.00 0.00 O ATOM 0 H GLU B 49 -14.732 1.086 5.736 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.759 0.669 8.311 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -16.120 2.613 6.583 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.379 1.602 5.903 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -18.494 1.505 8.158 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -17.252 2.561 8.802 1.00 0.00 H new ATOM 1773 N THR B 50 -17.167 -1.140 5.921 1.00 0.00 N ATOM 1774 CA THR B 50 -17.994 -2.328 5.645 1.00 0.00 C ATOM 1775 C THR B 50 -17.487 -3.597 6.351 1.00 0.00 C ATOM 1776 O THR B 50 -18.285 -4.463 6.718 1.00 0.00 O ATOM 1777 CB THR B 50 -18.135 -2.490 4.122 1.00 0.00 C ATOM 1778 OG1 THR B 50 -19.185 -1.659 3.671 1.00 0.00 O ATOM 1779 CG2 THR B 50 -18.443 -3.896 3.629 1.00 0.00 C ATOM 0 H THR B 50 -16.739 -0.735 5.089 1.00 0.00 H new ATOM 0 HA THR B 50 -18.985 -2.174 6.072 1.00 0.00 H new ATOM 0 HB THR B 50 -17.155 -2.225 3.724 1.00 0.00 H new ATOM 0 HG1 THR B 50 -19.283 -1.753 2.700 1.00 0.00 H new ATOM 0 HG21 THR B 50 -18.520 -3.892 2.542 1.00 0.00 H new ATOM 0 HG22 THR B 50 -17.643 -4.572 3.933 1.00 0.00 H new ATOM 0 HG23 THR B 50 -19.386 -4.234 4.058 1.00 0.00 H new ATOM 1787 N ILE B 51 -16.180 -3.685 6.607 1.00 0.00 N ATOM 1788 CA ILE B 51 -15.514 -4.809 7.288 1.00 0.00 C ATOM 1789 C ILE B 51 -15.359 -4.608 8.808 1.00 0.00 C ATOM 1790 O ILE B 51 -15.277 -5.577 9.566 1.00 0.00 O ATOM 1791 CB ILE B 51 -14.185 -5.132 6.551 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -14.429 -5.679 5.118 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -13.282 -6.119 7.314 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -15.300 -6.940 5.002 1.00 0.00 C ATOM 0 H ILE B 51 -15.527 -2.949 6.337 1.00 0.00 H new ATOM 0 HA ILE B 51 -16.159 -5.686 7.224 1.00 0.00 H new ATOM 0 HB ILE B 51 -13.666 -4.175 6.494 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -14.892 -4.889 4.526 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -13.461 -5.891 4.665 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -12.373 -6.298 6.740 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -13.022 -5.698 8.285 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -13.812 -7.061 7.457 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -15.395 -7.221 3.953 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -14.835 -7.756 5.556 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -16.288 -6.739 5.415 1.00 0.00 H new ATOM 1806 N ASN B 52 -15.412 -3.366 9.274 1.00 0.00 N ATOM 1807 CA ASN B 52 -15.334 -2.983 10.690 1.00 0.00 C ATOM 1808 C ASN B 52 -16.704 -3.098 11.406 1.00 0.00 C ATOM 1809 O ASN B 52 -17.256 -2.109 11.901 1.00 0.00 O ATOM 1810 CB ASN B 52 -14.682 -1.590 10.803 1.00 0.00 C ATOM 1811 CG ASN B 52 -14.384 -1.185 12.241 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -14.170 -2.004 13.126 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -14.344 0.097 12.527 1.00 0.00 N ATOM 0 H ASN B 52 -15.515 -2.561 8.656 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.696 -3.688 11.222 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -13.755 -1.582 10.230 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -15.342 -0.849 10.352 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -14.136 0.401 13.478 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -14.521 0.788 11.798 1.00 0.00 H new