USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 15 MET CE :methyl -147:sc= -0.191 (180deg=-1.63) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -15:sc= -0.214 USER MOD Single : A 22 SER OG : rot 180:sc=-0.00123 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0614 K(o=-0.061,f=-0.57) 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 79:sc= 0.966 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000567) USER MOD Single : A 44 HIS : no HE2:sc= 0.147 K(o=0.77,f=-6!) USER MOD Single : A 50 THR OG1 : rot 80:sc= 1.13 USER MOD Single : A 52 ASN : amide:sc= 1.17 K(o=1.2,f=-0.43) USER MOD Single : B 8 TYR OH : rot 30:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : B 15 MET CE :methyl 157:sc= -0.0287 (180deg=-1.59) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= -0.0265 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 ASN : amide:sc= 0.145 K(o=0.15,f=-4.4!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 85:sc= 0.456 USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 36 LYS NZ :NH3+ 138:sc= 1.27 (180deg=0.14) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 HIS : no HE2:sc= -0.375 K(o=-0.36,f=-8.6!) USER MOD Single : B 50 THR OG1 : rot 85:sc= 0.033 USER MOD Single : B 52 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 4 5.813 15.307 -1.260 1.00 0.00 N ATOM 54 CA LEU A 4 5.707 14.039 -2.008 1.00 0.00 C ATOM 55 C LEU A 4 6.301 12.825 -1.270 1.00 0.00 C ATOM 56 O LEU A 4 5.575 11.861 -1.030 1.00 0.00 O ATOM 57 CB LEU A 4 6.178 14.234 -3.463 1.00 0.00 C ATOM 58 CG LEU A 4 7.690 14.434 -3.648 1.00 0.00 C ATOM 59 CD1 LEU A 4 8.372 13.125 -4.050 1.00 0.00 C ATOM 60 CD2 LEU A 4 7.991 15.469 -4.731 1.00 0.00 C ATOM 0 HA LEU A 4 4.653 13.767 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.870 13.366 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.661 15.098 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 4 8.075 14.782 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.441 13.295 -4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.211 12.378 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.950 12.768 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.070 15.584 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.569 15.136 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.549 16.426 -4.453 1.00 0.00 H new ATOM 72 N ARG A 5 7.555 12.885 -0.791 1.00 0.00 N ATOM 73 CA ARG A 5 8.165 11.803 0.017 1.00 0.00 C ATOM 74 C ARG A 5 7.385 11.538 1.307 1.00 0.00 C ATOM 75 O ARG A 5 7.261 10.393 1.740 1.00 0.00 O ATOM 76 CB ARG A 5 9.639 12.128 0.331 1.00 0.00 C ATOM 77 CG ARG A 5 10.540 11.993 -0.909 1.00 0.00 C ATOM 78 CD ARG A 5 11.985 12.445 -0.653 1.00 0.00 C ATOM 79 NE ARG A 5 12.691 11.598 0.331 1.00 0.00 N ATOM 80 CZ ARG A 5 13.919 11.784 0.787 1.00 0.00 C ATOM 81 NH1 ARG A 5 14.679 12.756 0.366 1.00 0.00 N ATOM 82 NH2 ARG A 5 14.418 10.988 1.688 1.00 0.00 N ATOM 0 H ARG A 5 8.176 13.679 -0.949 1.00 0.00 H new ATOM 0 HA ARG A 5 8.124 10.891 -0.578 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.710 13.143 0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.998 11.460 1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.543 10.954 -1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.119 12.583 -1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.535 12.434 -1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.980 13.476 -0.299 1.00 0.00 H new ATOM 0 HE ARG A 5 12.182 10.792 0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.332 13.406 -0.339 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.621 12.867 0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.861 10.213 2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.366 11.139 2.034 1.00 0.00 H new ATOM 96 N GLU A 6 6.807 12.591 1.882 1.00 0.00 N ATOM 97 CA GLU A 6 5.963 12.509 3.076 1.00 0.00 C ATOM 98 C GLU A 6 4.680 11.694 2.834 1.00 0.00 C ATOM 99 O GLU A 6 4.312 10.846 3.648 1.00 0.00 O ATOM 100 CB GLU A 6 5.609 13.946 3.522 1.00 0.00 C ATOM 101 CG GLU A 6 5.001 14.030 4.931 1.00 0.00 C ATOM 102 CD GLU A 6 6.061 13.820 6.032 1.00 0.00 C ATOM 103 OE1 GLU A 6 6.378 12.653 6.368 1.00 0.00 O ATOM 104 OE2 GLU A 6 6.588 14.824 6.571 1.00 0.00 O ATOM 0 H GLU A 6 6.913 13.541 1.527 1.00 0.00 H new ATOM 0 HA GLU A 6 6.518 11.988 3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.510 14.558 3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.906 14.375 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.528 15.003 5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.218 13.278 5.033 1.00 0.00 H new ATOM 111 N LEU A 7 4.026 11.916 1.688 1.00 0.00 N ATOM 112 CA LEU A 7 2.789 11.226 1.296 1.00 0.00 C ATOM 113 C LEU A 7 3.034 9.720 1.138 1.00 0.00 C ATOM 114 O LEU A 7 2.329 8.902 1.727 1.00 0.00 O ATOM 115 CB LEU A 7 2.239 11.822 -0.020 1.00 0.00 C ATOM 116 CG LEU A 7 2.043 13.348 -0.053 1.00 0.00 C ATOM 117 CD1 LEU A 7 1.341 13.746 -1.351 1.00 0.00 C ATOM 118 CD2 LEU A 7 1.211 13.869 1.115 1.00 0.00 C ATOM 0 H LEU A 7 4.346 12.592 0.994 1.00 0.00 H new ATOM 0 HA LEU A 7 2.050 11.371 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.917 11.547 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.280 11.350 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 7 3.037 13.790 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.203 14.827 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.949 13.440 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.369 13.255 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.109 14.951 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.223 13.409 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.706 13.620 2.054 1.00 0.00 H new ATOM 130 N TYR A 8 4.090 9.385 0.391 1.00 0.00 N ATOM 131 CA TYR A 8 4.580 8.037 0.072 1.00 0.00 C ATOM 132 C TYR A 8 4.814 7.173 1.306 1.00 0.00 C ATOM 133 O TYR A 8 4.497 5.987 1.290 1.00 0.00 O ATOM 134 CB TYR A 8 5.942 8.236 -0.639 1.00 0.00 C ATOM 135 CG TYR A 8 6.400 7.280 -1.727 1.00 0.00 C ATOM 136 CD1 TYR A 8 5.862 5.985 -1.873 1.00 0.00 C ATOM 137 CD2 TYR A 8 7.439 7.703 -2.584 1.00 0.00 C ATOM 138 CE1 TYR A 8 6.373 5.122 -2.863 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.944 6.843 -3.577 1.00 0.00 C ATOM 140 CZ TYR A 8 7.416 5.543 -3.712 1.00 0.00 C ATOM 141 OH TYR A 8 7.926 4.689 -4.637 1.00 0.00 O ATOM 0 H TYR A 8 4.671 10.104 -0.041 1.00 0.00 H new ATOM 0 HA TYR A 8 3.833 7.525 -0.535 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.933 9.235 -1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 8 6.710 8.232 0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.061 5.655 -1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.850 8.696 -2.477 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.962 4.129 -2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.733 7.178 -4.233 1.00 0.00 H new ATOM 0 HH TYR A 8 7.228 4.064 -4.925 1.00 0.00 H new ATOM 151 N LYS A 9 5.373 7.749 2.372 1.00 0.00 N ATOM 152 CA LYS A 9 5.719 6.997 3.580 1.00 0.00 C ATOM 153 C LYS A 9 4.505 6.465 4.327 1.00 0.00 C ATOM 154 O LYS A 9 4.409 5.257 4.524 1.00 0.00 O ATOM 155 CB LYS A 9 6.668 7.830 4.462 1.00 0.00 C ATOM 156 CG LYS A 9 8.108 7.703 3.944 1.00 0.00 C ATOM 157 CD LYS A 9 9.099 8.465 4.834 1.00 0.00 C ATOM 158 CE LYS A 9 10.531 8.217 4.345 1.00 0.00 C ATOM 159 NZ LYS A 9 11.532 8.861 5.236 1.00 0.00 N ATOM 0 H LYS A 9 5.597 8.743 2.423 1.00 0.00 H new ATOM 0 HA LYS A 9 6.253 6.097 3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.361 8.876 4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.612 7.488 5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.389 6.651 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.164 8.087 2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.877 9.532 4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.997 8.140 5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.720 7.144 4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.642 8.604 3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.489 8.673 4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.366 9.887 5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.442 8.474 6.197 1.00 0.00 H new ATOM 173 N LEU A 10 3.539 7.313 4.662 1.00 0.00 N ATOM 174 CA LEU A 10 2.265 6.887 5.225 1.00 0.00 C ATOM 175 C LEU A 10 1.454 6.002 4.262 1.00 0.00 C ATOM 176 O LEU A 10 0.850 5.020 4.697 1.00 0.00 O ATOM 177 CB LEU A 10 1.479 8.106 5.731 1.00 0.00 C ATOM 178 CG LEU A 10 2.186 8.761 6.939 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.148 9.887 6.561 1.00 0.00 C ATOM 180 CD2 LEU A 10 1.154 9.305 7.927 1.00 0.00 C ATOM 0 H LEU A 10 3.620 8.324 4.549 1.00 0.00 H new ATOM 0 HA LEU A 10 2.471 6.246 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.375 8.835 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.472 7.801 6.016 1.00 0.00 H new ATOM 0 HG LEU A 10 2.782 7.969 7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.604 10.295 7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.927 9.496 5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.601 10.675 6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.666 9.763 8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.533 10.051 7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.525 8.489 8.283 1.00 0.00 H new ATOM 192 N GLU A 11 1.521 6.267 2.952 1.00 0.00 N ATOM 193 CA GLU A 11 1.038 5.361 1.900 1.00 0.00 C ATOM 194 C GLU A 11 1.665 3.959 1.999 1.00 0.00 C ATOM 195 O GLU A 11 0.940 2.963 1.928 1.00 0.00 O ATOM 196 CB GLU A 11 1.299 6.025 0.525 1.00 0.00 C ATOM 197 CG GLU A 11 0.082 6.773 -0.038 1.00 0.00 C ATOM 198 CD GLU A 11 -1.024 5.869 -0.599 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.749 5.099 0.052 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.445 5.867 -1.770 1.00 0.00 O ATOM 0 H GLU A 11 1.919 7.132 2.586 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.033 5.202 2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.131 6.722 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.605 5.258 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.341 7.395 0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.419 7.444 -0.828 1.00 0.00 H new ATOM 207 N GLN A 12 2.978 3.845 2.234 1.00 0.00 N ATOM 208 CA GLN A 12 3.641 2.551 2.315 1.00 0.00 C ATOM 209 C GLN A 12 3.572 1.872 3.676 1.00 0.00 C ATOM 210 O GLN A 12 3.635 0.650 3.740 1.00 0.00 O ATOM 211 CB GLN A 12 5.085 2.678 1.837 1.00 0.00 C ATOM 212 CG GLN A 12 5.099 2.766 0.311 1.00 0.00 C ATOM 213 CD GLN A 12 6.519 2.779 -0.257 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.411 3.471 0.215 1.00 0.00 O ATOM 215 NE2 GLN A 12 6.797 1.996 -1.280 1.00 0.00 N ATOM 0 H GLN A 12 3.600 4.642 2.371 1.00 0.00 H new ATOM 0 HA GLN A 12 3.081 1.889 1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.548 3.565 2.269 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.668 1.820 2.170 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.552 1.920 -0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.576 3.669 -0.003 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.067 1.411 -1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.742 1.975 -1.664 1.00 0.00 H new ATOM 224 N GLN A 13 3.374 2.614 4.757 1.00 0.00 N ATOM 225 CA GLN A 13 3.137 2.031 6.081 1.00 0.00 C ATOM 226 C GLN A 13 1.780 1.324 6.156 1.00 0.00 C ATOM 227 O GLN A 13 1.706 0.249 6.751 1.00 0.00 O ATOM 228 CB GLN A 13 3.271 3.113 7.164 1.00 0.00 C ATOM 229 CG GLN A 13 4.742 3.498 7.394 1.00 0.00 C ATOM 230 CD GLN A 13 4.899 4.677 8.355 1.00 0.00 C ATOM 231 OE1 GLN A 13 4.269 5.718 8.226 1.00 0.00 O ATOM 232 NE2 GLN A 13 5.751 4.571 9.354 1.00 0.00 N ATOM 0 H GLN A 13 3.372 3.634 4.747 1.00 0.00 H new ATOM 0 HA GLN A 13 3.895 1.269 6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.704 3.996 6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.838 2.752 8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.281 2.637 7.790 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.201 3.750 6.438 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.286 3.712 9.479 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.876 5.348 10.003 1.00 0.00 H new ATOM 241 N ALA A 14 0.740 1.835 5.484 1.00 0.00 N ATOM 242 CA ALA A 14 -0.516 1.100 5.335 1.00 0.00 C ATOM 243 C ALA A 14 -0.333 -0.111 4.407 1.00 0.00 C ATOM 244 O ALA A 14 -0.789 -1.195 4.740 1.00 0.00 O ATOM 245 CB ALA A 14 -1.588 2.061 4.811 1.00 0.00 C ATOM 0 H ALA A 14 0.746 2.752 5.037 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.834 0.709 6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.531 1.526 4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.720 2.880 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.277 2.462 3.846 1.00 0.00 H new ATOM 251 N MET A 15 0.393 0.030 3.293 1.00 0.00 N ATOM 252 CA MET A 15 0.721 -1.077 2.364 1.00 0.00 C ATOM 253 C MET A 15 1.508 -2.211 3.045 1.00 0.00 C ATOM 254 O MET A 15 1.232 -3.385 2.800 1.00 0.00 O ATOM 255 CB MET A 15 1.529 -0.490 1.190 1.00 0.00 C ATOM 256 CG MET A 15 2.129 -1.447 0.148 1.00 0.00 C ATOM 257 SD MET A 15 1.105 -1.857 -1.288 1.00 0.00 S ATOM 258 CE MET A 15 -0.036 -3.050 -0.555 1.00 0.00 C ATOM 0 H MET A 15 0.779 0.927 2.999 1.00 0.00 H new ATOM 0 HA MET A 15 -0.209 -1.524 2.013 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.881 0.209 0.661 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.348 0.092 1.612 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.060 -1.011 -0.215 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.389 -2.377 0.654 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.309 -3.798 -1.300 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.444 -3.540 0.292 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.933 -2.533 -0.214 1.00 0.00 H new ATOM 268 N LYS A 16 2.463 -1.890 3.926 1.00 0.00 N ATOM 269 CA LYS A 16 3.224 -2.884 4.697 1.00 0.00 C ATOM 270 C LYS A 16 2.342 -3.593 5.721 1.00 0.00 C ATOM 271 O LYS A 16 2.411 -4.813 5.866 1.00 0.00 O ATOM 272 CB LYS A 16 4.373 -2.165 5.412 1.00 0.00 C ATOM 273 CG LYS A 16 5.576 -3.071 5.736 1.00 0.00 C ATOM 274 CD LYS A 16 6.402 -3.508 4.507 1.00 0.00 C ATOM 275 CE LYS A 16 7.118 -2.360 3.774 1.00 0.00 C ATOM 276 NZ LYS A 16 8.278 -1.833 4.542 1.00 0.00 N ATOM 0 H LYS A 16 2.732 -0.927 4.126 1.00 0.00 H new ATOM 0 HA LYS A 16 3.609 -3.642 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.712 -1.337 4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.996 -1.733 6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.232 -2.546 6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.215 -3.962 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.146 -4.237 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.741 -4.014 3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.460 -2.711 2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.410 -1.552 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.727 -1.062 4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.951 -1.472 5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.968 -2.596 4.695 1.00 0.00 H new ATOM 290 N LEU A 17 1.470 -2.828 6.381 1.00 0.00 N ATOM 291 CA LEU A 17 0.426 -3.353 7.252 1.00 0.00 C ATOM 292 C LEU A 17 -0.511 -4.298 6.488 1.00 0.00 C ATOM 293 O LEU A 17 -0.713 -5.423 6.929 1.00 0.00 O ATOM 294 CB LEU A 17 -0.297 -2.160 7.905 1.00 0.00 C ATOM 295 CG LEU A 17 0.245 -1.817 9.304 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.423 -0.538 9.797 1.00 0.00 C ATOM 297 CD2 LEU A 17 -0.015 -2.908 10.348 1.00 0.00 C ATOM 0 H LEU A 17 1.473 -1.810 6.322 1.00 0.00 H new ATOM 0 HA LEU A 17 0.855 -3.966 8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.199 -1.287 7.260 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.361 -2.384 7.979 1.00 0.00 H new ATOM 0 HG LEU A 17 1.324 -1.709 9.196 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.044 -0.288 10.788 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.202 0.277 9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.502 -0.687 9.848 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.395 -2.597 11.309 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.089 -3.069 10.446 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.464 -3.835 10.033 1.00 0.00 H new ATOM 309 N TYR A 18 -0.980 -3.911 5.299 1.00 0.00 N ATOM 310 CA TYR A 18 -1.677 -4.770 4.338 1.00 0.00 C ATOM 311 C TYR A 18 -0.926 -6.064 3.966 1.00 0.00 C ATOM 312 O TYR A 18 -1.544 -7.131 3.966 1.00 0.00 O ATOM 313 CB TYR A 18 -2.047 -3.922 3.104 1.00 0.00 C ATOM 314 CG TYR A 18 -3.397 -3.250 3.254 1.00 0.00 C ATOM 315 CD1 TYR A 18 -4.550 -4.040 3.422 1.00 0.00 C ATOM 316 CD2 TYR A 18 -3.493 -1.849 3.327 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.773 -3.440 3.770 1.00 0.00 C ATOM 318 CE2 TYR A 18 -4.710 -1.244 3.682 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.845 -2.041 3.934 1.00 0.00 C ATOM 320 OH TYR A 18 -7.012 -1.463 4.320 1.00 0.00 O ATOM 0 H TYR A 18 -0.881 -2.952 4.966 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.581 -5.141 4.820 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.281 -3.163 2.944 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.056 -4.557 2.218 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.495 -5.110 3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.630 -1.237 3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.654 -4.048 3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.776 -0.169 3.762 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.746 -2.103 4.209 1.00 0.00 H new ATOM 330 N ARG A 19 0.391 -6.025 3.712 1.00 0.00 N ATOM 331 CA ARG A 19 1.209 -7.231 3.442 1.00 0.00 C ATOM 332 C ARG A 19 1.283 -8.213 4.621 1.00 0.00 C ATOM 333 O ARG A 19 1.364 -9.419 4.397 1.00 0.00 O ATOM 334 CB ARG A 19 2.628 -6.840 2.986 1.00 0.00 C ATOM 335 CG ARG A 19 2.656 -6.341 1.530 1.00 0.00 C ATOM 336 CD ARG A 19 4.068 -5.944 1.073 1.00 0.00 C ATOM 337 NE ARG A 19 4.989 -7.100 1.030 1.00 0.00 N ATOM 338 CZ ARG A 19 6.264 -7.089 0.679 1.00 0.00 C ATOM 339 NH1 ARG A 19 6.868 -6.003 0.287 1.00 0.00 N ATOM 340 NH2 ARG A 19 6.966 -8.185 0.714 1.00 0.00 N ATOM 0 H ARG A 19 0.926 -5.157 3.687 1.00 0.00 H new ATOM 0 HA ARG A 19 0.696 -7.758 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.017 -6.061 3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.290 -7.701 3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.271 -7.122 0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.990 -5.484 1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.013 -5.489 0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.468 -5.189 1.750 1.00 0.00 H new ATOM 0 HE ARG A 19 4.599 -8.003 1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.356 -5.122 0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.853 -6.034 0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.533 -9.059 1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.949 -8.170 0.442 1.00 0.00 H new ATOM 354 N GLU A 20 1.220 -7.736 5.863 1.00 0.00 N ATOM 355 CA GLU A 20 1.252 -8.578 7.072 1.00 0.00 C ATOM 356 C GLU A 20 -0.148 -9.038 7.494 1.00 0.00 C ATOM 357 O GLU A 20 -0.358 -10.212 7.804 1.00 0.00 O ATOM 358 CB GLU A 20 1.945 -7.779 8.188 1.00 0.00 C ATOM 359 CG GLU A 20 2.994 -8.579 8.973 1.00 0.00 C ATOM 360 CD GLU A 20 2.393 -9.715 9.823 1.00 0.00 C ATOM 361 OE1 GLU A 20 1.647 -9.423 10.789 1.00 0.00 O ATOM 362 OE2 GLU A 20 2.707 -10.899 9.555 1.00 0.00 O ATOM 0 H GLU A 20 1.144 -6.740 6.068 1.00 0.00 H new ATOM 0 HA GLU A 20 1.811 -9.490 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.425 -6.904 7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.188 -7.414 8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.715 -9.002 8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.544 -7.900 9.625 1.00 0.00 H new ATOM 369 N ALA A 21 -1.132 -8.146 7.383 1.00 0.00 N ATOM 370 CA ALA A 21 -2.553 -8.468 7.461 1.00 0.00 C ATOM 371 C ALA A 21 -2.944 -9.559 6.448 1.00 0.00 C ATOM 372 O ALA A 21 -3.777 -10.396 6.768 1.00 0.00 O ATOM 373 CB ALA A 21 -3.376 -7.189 7.267 1.00 0.00 C ATOM 0 H ALA A 21 -0.956 -7.153 7.232 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.769 -8.876 8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.438 -7.427 7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.122 -6.471 8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.154 -6.758 6.291 1.00 0.00 H new ATOM 379 N SER A 22 -2.314 -9.610 5.269 1.00 0.00 N ATOM 380 CA SER A 22 -2.495 -10.679 4.272 1.00 0.00 C ATOM 381 C SER A 22 -2.132 -12.080 4.794 1.00 0.00 C ATOM 382 O SER A 22 -2.852 -13.039 4.510 1.00 0.00 O ATOM 383 CB SER A 22 -1.679 -10.352 3.018 1.00 0.00 C ATOM 384 OG SER A 22 -1.983 -11.244 1.963 1.00 0.00 O ATOM 0 H SER A 22 -1.649 -8.896 4.972 1.00 0.00 H new ATOM 0 HA SER A 22 -3.559 -10.713 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.885 -9.329 2.703 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.615 -10.407 3.249 1.00 0.00 H new ATOM 0 HG SER A 22 -1.450 -11.012 1.174 1.00 0.00 H new ATOM 390 N GLU A 23 -1.071 -12.222 5.606 1.00 0.00 N ATOM 391 CA GLU A 23 -0.769 -13.498 6.284 1.00 0.00 C ATOM 392 C GLU A 23 -1.815 -13.784 7.376 1.00 0.00 C ATOM 393 O GLU A 23 -2.401 -14.867 7.429 1.00 0.00 O ATOM 394 CB GLU A 23 0.645 -13.446 6.887 1.00 0.00 C ATOM 395 CG GLU A 23 1.246 -14.827 7.208 1.00 0.00 C ATOM 396 CD GLU A 23 0.585 -15.559 8.398 1.00 0.00 C ATOM 397 OE1 GLU A 23 0.509 -14.986 9.511 1.00 0.00 O ATOM 398 OE2 GLU A 23 0.175 -16.736 8.238 1.00 0.00 O ATOM 0 H GLU A 23 -0.409 -11.473 5.810 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.809 -14.307 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.305 -12.928 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.616 -12.853 7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.167 -15.457 6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.309 -14.706 7.419 1.00 0.00 H new ATOM 405 N LYS A 24 -2.096 -12.781 8.218 1.00 0.00 N ATOM 406 CA LYS A 24 -3.067 -12.853 9.326 1.00 0.00 C ATOM 407 C LYS A 24 -4.493 -13.221 8.874 1.00 0.00 C ATOM 408 O LYS A 24 -5.185 -13.970 9.562 1.00 0.00 O ATOM 409 CB LYS A 24 -3.046 -11.509 10.087 1.00 0.00 C ATOM 410 CG LYS A 24 -2.578 -11.601 11.546 1.00 0.00 C ATOM 411 CD LYS A 24 -3.516 -12.421 12.446 1.00 0.00 C ATOM 412 CE LYS A 24 -2.941 -13.805 12.784 1.00 0.00 C ATOM 413 NZ LYS A 24 -3.838 -14.565 13.696 1.00 0.00 N ATOM 0 H LYS A 24 -1.643 -11.870 8.148 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.764 -13.666 9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.394 -10.816 9.554 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.049 -11.082 10.068 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.583 -12.046 11.572 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.487 -10.594 11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.701 -11.872 13.369 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.478 -12.542 11.949 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.792 -14.372 11.865 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.962 -13.689 13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.418 -15.494 13.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.960 -14.036 14.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.764 -14.697 13.241 1.00 0.00 H new ATOM 427 N ALA A 25 -4.902 -12.740 7.701 1.00 0.00 N ATOM 428 CA ALA A 25 -6.232 -12.868 7.102 1.00 0.00 C ATOM 429 C ALA A 25 -6.371 -14.062 6.135 1.00 0.00 C ATOM 430 O ALA A 25 -7.205 -14.020 5.233 1.00 0.00 O ATOM 431 CB ALA A 25 -6.556 -11.551 6.380 1.00 0.00 C ATOM 0 H ALA A 25 -4.268 -12.213 7.100 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.941 -13.067 7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.544 -11.620 5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.544 -10.730 7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.811 -11.368 5.606 1.00 0.00 H new ATOM 437 N ARG A 26 -5.553 -15.115 6.283 1.00 0.00 N ATOM 438 CA ARG A 26 -5.517 -16.304 5.403 1.00 0.00 C ATOM 439 C ARG A 26 -6.865 -16.997 5.099 1.00 0.00 C ATOM 440 O ARG A 26 -6.945 -17.736 4.117 1.00 0.00 O ATOM 441 CB ARG A 26 -4.432 -17.291 5.886 1.00 0.00 C ATOM 442 CG ARG A 26 -4.741 -18.108 7.157 1.00 0.00 C ATOM 443 CD ARG A 26 -4.802 -17.279 8.449 1.00 0.00 C ATOM 444 NE ARG A 26 -4.879 -18.143 9.644 1.00 0.00 N ATOM 445 CZ ARG A 26 -3.870 -18.607 10.362 1.00 0.00 C ATOM 446 NH1 ARG A 26 -2.625 -18.342 10.078 1.00 0.00 N ATOM 447 NH2 ARG A 26 -4.098 -19.364 11.397 1.00 0.00 N ATOM 0 H ARG A 26 -4.874 -15.169 7.042 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.250 -15.912 4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.226 -17.991 5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.516 -16.727 6.061 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.695 -18.618 7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.980 -18.880 7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.920 -16.642 8.516 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.670 -16.620 8.419 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.814 -18.412 9.950 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.399 -17.756 9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.877 -18.721 10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.056 -19.600 11.655 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.318 -19.721 11.949 1.00 0.00 H new ATOM 461 N ASN A 27 -7.924 -16.756 5.882 1.00 0.00 N ATOM 462 CA ASN A 27 -9.308 -17.115 5.532 1.00 0.00 C ATOM 463 C ASN A 27 -9.760 -16.397 4.230 1.00 0.00 C ATOM 464 O ASN A 27 -9.792 -15.163 4.194 1.00 0.00 O ATOM 465 CB ASN A 27 -10.228 -16.773 6.718 1.00 0.00 C ATOM 466 CG ASN A 27 -11.665 -17.194 6.451 1.00 0.00 C ATOM 467 OD1 ASN A 27 -12.384 -16.588 5.670 1.00 0.00 O ATOM 468 ND2 ASN A 27 -12.123 -18.266 7.058 1.00 0.00 N ATOM 0 H ASN A 27 -7.844 -16.299 6.791 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.368 -18.185 5.336 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.864 -17.270 7.617 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.192 -15.701 6.910 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.074 -18.588 6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.528 -18.776 7.711 1.00 0.00 H new ATOM 475 N PRO A 28 -10.127 -17.130 3.159 1.00 0.00 N ATOM 476 CA PRO A 28 -10.089 -16.637 1.776 1.00 0.00 C ATOM 477 C PRO A 28 -11.113 -15.545 1.435 1.00 0.00 C ATOM 478 O PRO A 28 -10.959 -14.859 0.426 1.00 0.00 O ATOM 479 CB PRO A 28 -10.290 -17.880 0.900 1.00 0.00 C ATOM 480 CG PRO A 28 -11.114 -18.801 1.793 1.00 0.00 C ATOM 481 CD PRO A 28 -10.533 -18.524 3.177 1.00 0.00 C ATOM 0 HA PRO A 28 -9.137 -16.135 1.604 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.814 -17.641 -0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.339 -18.334 0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.178 -18.568 1.745 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.004 -19.847 1.508 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.273 -18.707 3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.685 -19.177 3.384 1.00 0.00 H new ATOM 489 N GLU A 29 -12.143 -15.364 2.263 1.00 0.00 N ATOM 490 CA GLU A 29 -13.201 -14.361 2.081 1.00 0.00 C ATOM 491 C GLU A 29 -12.633 -12.942 2.214 1.00 0.00 C ATOM 492 O GLU A 29 -12.458 -12.228 1.225 1.00 0.00 O ATOM 493 CB GLU A 29 -14.335 -14.655 3.083 1.00 0.00 C ATOM 494 CG GLU A 29 -15.590 -13.795 2.881 1.00 0.00 C ATOM 495 CD GLU A 29 -16.365 -14.200 1.611 1.00 0.00 C ATOM 496 OE1 GLU A 29 -17.220 -15.116 1.683 1.00 0.00 O ATOM 497 OE2 GLU A 29 -16.127 -13.603 0.534 1.00 0.00 O ATOM 0 H GLU A 29 -12.271 -15.926 3.104 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.616 -14.421 1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.612 -15.706 3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.960 -14.500 4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.241 -13.892 3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.304 -12.745 2.813 1.00 0.00 H new ATOM 504 N LYS A 30 -12.224 -12.582 3.434 1.00 0.00 N ATOM 505 CA LYS A 30 -11.411 -11.394 3.756 1.00 0.00 C ATOM 506 C LYS A 30 -10.130 -11.336 2.919 1.00 0.00 C ATOM 507 O LYS A 30 -9.793 -10.260 2.419 1.00 0.00 O ATOM 508 CB LYS A 30 -11.149 -11.425 5.277 1.00 0.00 C ATOM 509 CG LYS A 30 -10.819 -10.083 5.948 1.00 0.00 C ATOM 510 CD LYS A 30 -9.556 -9.403 5.403 1.00 0.00 C ATOM 511 CE LYS A 30 -8.761 -8.745 6.527 1.00 0.00 C ATOM 512 NZ LYS A 30 -9.397 -7.502 7.039 1.00 0.00 N ATOM 0 H LYS A 30 -12.457 -13.130 4.262 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.941 -10.477 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.030 -11.842 5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.324 -12.112 5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.665 -9.408 5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.698 -10.245 7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.933 -10.139 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.833 -8.653 4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.648 -9.453 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.759 -8.512 6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.812 -7.101 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.481 -6.811 6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.343 -7.723 7.410 1.00 0.00 H new ATOM 526 N LYS A 31 -9.460 -12.473 2.684 1.00 0.00 N ATOM 527 CA LYS A 31 -8.259 -12.541 1.819 1.00 0.00 C ATOM 528 C LYS A 31 -8.500 -12.022 0.390 1.00 0.00 C ATOM 529 O LYS A 31 -7.599 -11.456 -0.224 1.00 0.00 O ATOM 530 CB LYS A 31 -7.648 -13.959 1.818 1.00 0.00 C ATOM 531 CG LYS A 31 -6.121 -14.029 1.984 1.00 0.00 C ATOM 532 CD LYS A 31 -5.367 -13.252 0.903 1.00 0.00 C ATOM 533 CE LYS A 31 -3.850 -13.487 0.934 1.00 0.00 C ATOM 534 NZ LYS A 31 -3.460 -14.825 0.413 1.00 0.00 N ATOM 0 H LYS A 31 -9.729 -13.372 3.084 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.531 -11.859 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.109 -14.533 2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.916 -14.449 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.849 -13.635 2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.806 -15.072 1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.752 -13.538 -0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.565 -12.187 1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.356 -12.715 0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.492 -13.383 1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.426 -14.927 0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.907 -15.566 0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.774 -14.918 -0.574 1.00 0.00 H new ATOM 548 N SER A 32 -9.729 -12.128 -0.109 1.00 0.00 N ATOM 549 CA SER A 32 -10.141 -11.621 -1.431 1.00 0.00 C ATOM 550 C SER A 32 -10.787 -10.228 -1.399 1.00 0.00 C ATOM 551 O SER A 32 -11.176 -9.702 -2.443 1.00 0.00 O ATOM 552 CB SER A 32 -11.083 -12.619 -2.120 1.00 0.00 C ATOM 553 OG SER A 32 -10.505 -13.913 -2.191 1.00 0.00 O ATOM 0 H SER A 32 -10.490 -12.578 0.400 1.00 0.00 H new ATOM 0 HA SER A 32 -9.219 -11.515 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.025 -12.669 -1.574 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.316 -12.267 -3.125 1.00 0.00 H new ATOM 0 HG SER A 32 -10.596 -14.360 -1.324 1.00 0.00 H new ATOM 559 N VAL A 33 -10.851 -9.598 -0.222 1.00 0.00 N ATOM 560 CA VAL A 33 -11.304 -8.208 -0.030 1.00 0.00 C ATOM 561 C VAL A 33 -10.110 -7.284 0.178 1.00 0.00 C ATOM 562 O VAL A 33 -9.989 -6.298 -0.552 1.00 0.00 O ATOM 563 CB VAL A 33 -12.304 -8.087 1.140 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.689 -6.627 1.418 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.598 -8.851 0.838 1.00 0.00 C ATOM 0 H VAL A 33 -10.582 -10.050 0.652 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.829 -7.902 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.801 -8.508 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.394 -6.588 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.795 -6.057 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.151 -6.197 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.285 -8.749 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -14.061 -8.442 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.370 -9.905 0.681 1.00 0.00 H new ATOM 575 N LEU A 34 -9.178 -7.602 1.093 1.00 0.00 N ATOM 576 CA LEU A 34 -7.988 -6.760 1.265 1.00 0.00 C ATOM 577 C LEU A 34 -7.062 -6.773 0.023 1.00 0.00 C ATOM 578 O LEU A 34 -6.295 -5.830 -0.176 1.00 0.00 O ATOM 579 CB LEU A 34 -7.320 -7.031 2.630 1.00 0.00 C ATOM 580 CG LEU A 34 -6.172 -8.033 2.602 1.00 0.00 C ATOM 581 CD1 LEU A 34 -5.381 -8.028 3.910 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.616 -9.464 2.352 1.00 0.00 C ATOM 0 H LEU A 34 -9.224 -8.414 1.709 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.291 -5.714 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.948 -6.087 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.080 -7.392 3.323 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.552 -7.703 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.572 -8.756 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.964 -7.035 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.042 -8.289 4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.745 -10.119 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.299 -9.776 3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.123 -9.525 1.389 1.00 0.00 H new ATOM 594 N GLN A 35 -7.178 -7.784 -0.853 1.00 0.00 N ATOM 595 CA GLN A 35 -6.447 -7.854 -2.124 1.00 0.00 C ATOM 596 C GLN A 35 -6.704 -6.644 -3.039 1.00 0.00 C ATOM 597 O GLN A 35 -5.769 -6.133 -3.657 1.00 0.00 O ATOM 598 CB GLN A 35 -6.799 -9.175 -2.830 1.00 0.00 C ATOM 599 CG GLN A 35 -6.003 -9.394 -4.129 1.00 0.00 C ATOM 600 CD GLN A 35 -6.278 -10.746 -4.794 1.00 0.00 C ATOM 601 OE1 GLN A 35 -7.271 -11.422 -4.550 1.00 0.00 O ATOM 602 NE2 GLN A 35 -5.409 -11.196 -5.675 1.00 0.00 N ATOM 0 H GLN A 35 -7.790 -8.584 -0.695 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.381 -7.825 -1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.610 -10.006 -2.150 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.865 -9.186 -3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.244 -8.597 -4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.938 -9.315 -3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.575 -10.650 -5.894 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.569 -12.090 -6.139 1.00 0.00 H new ATOM 611 N LYS A 36 -7.949 -6.150 -3.117 1.00 0.00 N ATOM 612 CA LYS A 36 -8.302 -5.013 -3.988 1.00 0.00 C ATOM 613 C LYS A 36 -7.648 -3.709 -3.541 1.00 0.00 C ATOM 614 O LYS A 36 -7.148 -2.958 -4.377 1.00 0.00 O ATOM 615 CB LYS A 36 -9.833 -4.848 -4.035 1.00 0.00 C ATOM 616 CG LYS A 36 -10.559 -6.016 -4.733 1.00 0.00 C ATOM 617 CD LYS A 36 -11.247 -5.607 -6.045 1.00 0.00 C ATOM 618 CE LYS A 36 -10.238 -5.145 -7.107 1.00 0.00 C ATOM 619 NZ LYS A 36 -10.920 -4.759 -8.371 1.00 0.00 N ATOM 0 H LYS A 36 -8.735 -6.522 -2.584 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.921 -5.236 -4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.211 -4.753 -3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.074 -3.920 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.841 -6.810 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.304 -6.429 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.819 -6.450 -6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.957 -4.804 -5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.668 -4.298 -6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.525 -5.945 -7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.212 -4.452 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.444 -5.575 -8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.582 -3.979 -8.184 1.00 0.00 H new ATOM 633 N ILE A 37 -7.590 -3.475 -2.229 1.00 0.00 N ATOM 634 CA ILE A 37 -6.852 -2.351 -1.641 1.00 0.00 C ATOM 635 C ILE A 37 -5.363 -2.510 -1.939 1.00 0.00 C ATOM 636 O ILE A 37 -4.753 -1.558 -2.408 1.00 0.00 O ATOM 637 CB ILE A 37 -7.098 -2.281 -0.115 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.578 -2.048 0.226 1.00 0.00 C ATOM 639 CG2 ILE A 37 -6.168 -1.238 0.530 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.939 -2.021 1.717 1.00 0.00 C ATOM 0 H ILE A 37 -8.056 -4.063 -1.538 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.206 -1.419 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.850 -3.252 0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.886 -1.101 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.166 -2.830 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.353 -1.200 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.129 -1.516 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.362 -0.258 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.010 -1.850 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.675 -2.975 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.390 -1.219 2.210 1.00 0.00 H new ATOM 652 N LEU A 38 -4.774 -3.696 -1.736 1.00 0.00 N ATOM 653 CA LEU A 38 -3.354 -3.911 -2.024 1.00 0.00 C ATOM 654 C LEU A 38 -3.016 -3.624 -3.506 1.00 0.00 C ATOM 655 O LEU A 38 -1.999 -2.984 -3.779 1.00 0.00 O ATOM 656 CB LEU A 38 -2.878 -5.249 -1.407 1.00 0.00 C ATOM 657 CG LEU A 38 -2.454 -6.343 -2.389 1.00 0.00 C ATOM 658 CD1 LEU A 38 -1.044 -6.167 -2.966 1.00 0.00 C ATOM 659 CD2 LEU A 38 -2.450 -7.709 -1.695 1.00 0.00 C ATOM 0 H LEU A 38 -5.259 -4.517 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.736 -3.170 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.037 -5.039 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.682 -5.642 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.181 -6.273 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.827 -6.986 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.986 -5.220 -3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.316 -6.170 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.146 -8.477 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.750 -7.691 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.451 -7.932 -1.325 1.00 0.00 H new ATOM 671 N GLU A 39 -3.886 -3.985 -4.459 1.00 0.00 N ATOM 672 CA GLU A 39 -3.636 -3.714 -5.883 1.00 0.00 C ATOM 673 C GLU A 39 -3.790 -2.229 -6.257 1.00 0.00 C ATOM 674 O GLU A 39 -2.994 -1.693 -7.030 1.00 0.00 O ATOM 675 CB GLU A 39 -4.538 -4.634 -6.727 1.00 0.00 C ATOM 676 CG GLU A 39 -4.060 -4.867 -8.171 1.00 0.00 C ATOM 677 CD GLU A 39 -4.388 -3.726 -9.159 1.00 0.00 C ATOM 678 OE1 GLU A 39 -5.554 -3.267 -9.203 1.00 0.00 O ATOM 679 OE2 GLU A 39 -3.501 -3.349 -9.962 1.00 0.00 O ATOM 0 H GLU A 39 -4.767 -4.464 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.591 -3.938 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.617 -5.599 -6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.541 -4.207 -6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.981 -5.019 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.508 -5.789 -8.542 1.00 0.00 H new ATOM 686 N ASP A 40 -4.745 -1.531 -5.644 1.00 0.00 N ATOM 687 CA ASP A 40 -4.879 -0.080 -5.699 1.00 0.00 C ATOM 688 C ASP A 40 -3.687 0.647 -5.056 1.00 0.00 C ATOM 689 O ASP A 40 -3.210 1.640 -5.606 1.00 0.00 O ATOM 690 CB ASP A 40 -6.167 0.258 -4.938 1.00 0.00 C ATOM 691 CG ASP A 40 -7.454 0.291 -5.775 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.441 0.042 -7.005 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.503 0.592 -5.159 1.00 0.00 O ATOM 0 H ASP A 40 -5.468 -1.976 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.909 0.249 -6.738 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.296 -0.472 -4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.041 1.231 -4.464 1.00 0.00 H new ATOM 698 N GLU A 41 -3.172 0.160 -3.920 1.00 0.00 N ATOM 699 CA GLU A 41 -2.033 0.802 -3.251 1.00 0.00 C ATOM 700 C GLU A 41 -0.766 0.663 -4.111 1.00 0.00 C ATOM 701 O GLU A 41 -0.020 1.628 -4.255 1.00 0.00 O ATOM 702 CB GLU A 41 -1.781 0.286 -1.811 1.00 0.00 C ATOM 703 CG GLU A 41 -2.816 0.552 -0.686 1.00 0.00 C ATOM 704 CD GLU A 41 -3.387 1.971 -0.592 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.866 2.945 -1.192 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.414 2.168 0.108 1.00 0.00 O ATOM 0 H GLU A 41 -3.524 -0.672 -3.447 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.291 1.856 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.646 -0.794 -1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.831 0.707 -1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.647 -0.140 -0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.349 0.310 0.269 1.00 0.00 H new ATOM 713 N GLU A 42 -0.558 -0.477 -4.776 1.00 0.00 N ATOM 714 CA GLU A 42 0.539 -0.651 -5.738 1.00 0.00 C ATOM 715 C GLU A 42 0.501 0.382 -6.883 1.00 0.00 C ATOM 716 O GLU A 42 1.545 0.930 -7.255 1.00 0.00 O ATOM 717 CB GLU A 42 0.540 -2.095 -6.268 1.00 0.00 C ATOM 718 CG GLU A 42 1.793 -2.404 -7.097 1.00 0.00 C ATOM 719 CD GLU A 42 1.845 -3.891 -7.498 1.00 0.00 C ATOM 720 OE1 GLU A 42 2.425 -4.709 -6.742 1.00 0.00 O ATOM 721 OE2 GLU A 42 1.326 -4.252 -8.582 1.00 0.00 O ATOM 0 H GLU A 42 -1.143 -1.305 -4.664 1.00 0.00 H new ATOM 0 HA GLU A 42 1.476 -0.468 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.480 -2.789 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.348 -2.257 -6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.802 -1.783 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.684 -2.148 -6.523 1.00 0.00 H new ATOM 728 N LYS A 43 -0.692 0.717 -7.401 1.00 0.00 N ATOM 729 CA LYS A 43 -0.865 1.761 -8.428 1.00 0.00 C ATOM 730 C LYS A 43 -0.490 3.149 -7.899 1.00 0.00 C ATOM 731 O LYS A 43 0.234 3.878 -8.570 1.00 0.00 O ATOM 732 CB LYS A 43 -2.304 1.748 -8.983 1.00 0.00 C ATOM 733 CG LYS A 43 -2.416 2.128 -10.465 1.00 0.00 C ATOM 734 CD LYS A 43 -1.957 0.997 -11.402 1.00 0.00 C ATOM 735 CE LYS A 43 -2.214 1.310 -12.884 1.00 0.00 C ATOM 736 NZ LYS A 43 -3.659 1.243 -13.240 1.00 0.00 N ATOM 0 H LYS A 43 -1.566 0.272 -7.120 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.181 1.534 -9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.725 0.752 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.912 2.437 -8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.450 2.386 -10.693 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.816 3.018 -10.654 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.892 0.817 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.476 0.077 -11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.833 2.305 -13.113 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.658 0.605 -13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.777 1.445 -14.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.024 0.292 -13.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.187 1.945 -12.683 1.00 0.00 H new ATOM 750 N HIS A 44 -0.898 3.503 -6.674 1.00 0.00 N ATOM 751 CA HIS A 44 -0.514 4.734 -6.016 1.00 0.00 C ATOM 752 C HIS A 44 0.998 4.831 -5.802 1.00 0.00 C ATOM 753 O HIS A 44 1.578 5.884 -6.048 1.00 0.00 O ATOM 754 CB HIS A 44 -1.211 4.769 -4.659 1.00 0.00 C ATOM 755 CG HIS A 44 -2.714 4.698 -4.620 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.473 4.563 -3.444 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.547 4.762 -5.697 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.755 4.512 -3.875 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.820 4.618 -5.213 1.00 0.00 N ATOM 0 H HIS A 44 -1.517 2.921 -6.110 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.806 5.573 -6.647 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.825 3.939 -4.067 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.910 5.688 -4.155 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.134 4.514 -2.483 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.260 4.899 -6.729 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.613 4.401 -3.229 1.00 0.00 H new ATOM 767 N ILE A 45 1.638 3.737 -5.375 1.00 0.00 N ATOM 768 CA ILE A 45 3.087 3.645 -5.154 1.00 0.00 C ATOM 769 C ILE A 45 3.870 3.925 -6.454 1.00 0.00 C ATOM 770 O ILE A 45 4.832 4.694 -6.428 1.00 0.00 O ATOM 771 CB ILE A 45 3.415 2.279 -4.483 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.444 2.378 -2.936 1.00 0.00 C ATOM 773 CG2 ILE A 45 4.762 1.686 -4.932 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.127 2.701 -2.224 1.00 0.00 C ATOM 0 H ILE A 45 1.149 2.866 -5.168 1.00 0.00 H new ATOM 0 HA ILE A 45 3.417 4.422 -4.464 1.00 0.00 H new ATOM 0 HB ILE A 45 2.608 1.622 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.814 1.430 -2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.171 3.142 -2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.928 0.735 -4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.748 1.526 -6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.566 2.377 -4.678 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.295 2.739 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.755 3.666 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.392 1.928 -2.449 1.00 0.00 H new ATOM 786 N GLU A 46 3.434 3.389 -7.603 1.00 0.00 N ATOM 787 CA GLU A 46 4.019 3.694 -8.916 1.00 0.00 C ATOM 788 C GLU A 46 3.916 5.185 -9.276 1.00 0.00 C ATOM 789 O GLU A 46 4.870 5.779 -9.783 1.00 0.00 O ATOM 790 CB GLU A 46 3.302 2.870 -10.000 1.00 0.00 C ATOM 791 CG GLU A 46 3.689 1.389 -10.039 1.00 0.00 C ATOM 792 CD GLU A 46 5.081 1.178 -10.665 1.00 0.00 C ATOM 793 OE1 GLU A 46 5.175 1.041 -11.910 1.00 0.00 O ATOM 794 OE2 GLU A 46 6.090 1.141 -9.921 1.00 0.00 O ATOM 0 H GLU A 46 2.660 2.727 -7.647 1.00 0.00 H new ATOM 0 HA GLU A 46 5.077 3.436 -8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.226 2.946 -9.843 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.514 3.313 -10.973 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.680 0.984 -9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.945 0.834 -10.611 1.00 0.00 H new ATOM 801 N TRP A 47 2.770 5.805 -8.997 1.00 0.00 N ATOM 802 CA TRP A 47 2.495 7.205 -9.298 1.00 0.00 C ATOM 803 C TRP A 47 3.243 8.155 -8.355 1.00 0.00 C ATOM 804 O TRP A 47 3.681 9.225 -8.768 1.00 0.00 O ATOM 805 CB TRP A 47 0.994 7.448 -9.176 1.00 0.00 C ATOM 806 CG TRP A 47 0.046 6.672 -10.046 1.00 0.00 C ATOM 807 CD1 TRP A 47 0.315 5.904 -11.131 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.393 6.586 -9.852 1.00 0.00 C ATOM 809 NE1 TRP A 47 -0.862 5.340 -11.608 1.00 0.00 N ATOM 810 CE2 TRP A 47 -1.958 5.751 -10.858 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.264 7.146 -8.898 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.343 5.500 -10.898 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.648 6.906 -8.917 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.187 6.078 -9.923 1.00 0.00 C ATOM 0 H TRP A 47 1.988 5.333 -8.543 1.00 0.00 H new ATOM 0 HA TRP A 47 2.841 7.409 -10.311 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.716 7.258 -8.139 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.818 8.507 -9.365 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.295 5.754 -11.559 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -0.915 4.706 -12.405 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.855 7.781 -8.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.758 4.869 -11.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.291 7.350 -8.171 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.249 5.885 -9.949 1.00 0.00 H new ATOM 825 N LEU A 48 3.451 7.761 -7.100 1.00 0.00 N ATOM 826 CA LEU A 48 4.258 8.495 -6.129 1.00 0.00 C ATOM 827 C LEU A 48 5.712 8.643 -6.584 1.00 0.00 C ATOM 828 O LEU A 48 6.259 9.744 -6.623 1.00 0.00 O ATOM 829 CB LEU A 48 4.208 7.738 -4.792 1.00 0.00 C ATOM 830 CG LEU A 48 3.742 8.574 -3.609 1.00 0.00 C ATOM 831 CD1 LEU A 48 4.511 9.884 -3.433 1.00 0.00 C ATOM 832 CD2 LEU A 48 2.254 8.891 -3.675 1.00 0.00 C ATOM 0 H LEU A 48 3.053 6.901 -6.722 1.00 0.00 H new ATOM 0 HA LEU A 48 3.850 9.500 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.543 6.881 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.201 7.345 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 48 3.948 7.943 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.120 10.422 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.568 9.667 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.394 10.497 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.971 9.489 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.041 9.449 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.684 7.962 -3.677 1.00 0.00 H new ATOM 844 N GLU A 49 6.310 7.529 -7.006 1.00 0.00 N ATOM 845 CA GLU A 49 7.648 7.515 -7.623 1.00 0.00 C ATOM 846 C GLU A 49 7.690 8.287 -8.952 1.00 0.00 C ATOM 847 O GLU A 49 8.739 8.765 -9.382 1.00 0.00 O ATOM 848 CB GLU A 49 8.097 6.065 -7.867 1.00 0.00 C ATOM 849 CG GLU A 49 9.503 5.765 -7.324 1.00 0.00 C ATOM 850 CD GLU A 49 10.618 6.564 -8.027 1.00 0.00 C ATOM 851 OE1 GLU A 49 11.053 6.162 -9.135 1.00 0.00 O ATOM 852 OE2 GLU A 49 11.098 7.566 -7.442 1.00 0.00 O ATOM 0 H GLU A 49 5.884 6.605 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 49 8.325 8.011 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.382 5.387 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.077 5.861 -8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.526 5.986 -6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.706 4.700 -7.433 1.00 0.00 H new ATOM 859 N THR A 50 6.533 8.432 -9.598 1.00 0.00 N ATOM 860 CA THR A 50 6.387 9.199 -10.841 1.00 0.00 C ATOM 861 C THR A 50 6.303 10.712 -10.587 1.00 0.00 C ATOM 862 O THR A 50 6.777 11.512 -11.397 1.00 0.00 O ATOM 863 CB THR A 50 5.174 8.671 -11.619 1.00 0.00 C ATOM 864 OG1 THR A 50 5.395 7.338 -12.030 1.00 0.00 O ATOM 865 CG2 THR A 50 4.873 9.464 -12.871 1.00 0.00 C ATOM 0 H THR A 50 5.660 8.017 -9.272 1.00 0.00 H new ATOM 0 HA THR A 50 7.282 9.057 -11.447 1.00 0.00 H new ATOM 0 HB THR A 50 4.333 8.756 -10.931 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.228 6.732 -11.278 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.004 9.037 -13.372 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.665 10.500 -12.604 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.732 9.427 -13.540 1.00 0.00 H new ATOM 873 N ILE A 51 5.753 11.109 -9.438 1.00 0.00 N ATOM 874 CA ILE A 51 5.723 12.494 -8.934 1.00 0.00 C ATOM 875 C ILE A 51 7.062 12.933 -8.317 1.00 0.00 C ATOM 876 O ILE A 51 7.401 14.119 -8.315 1.00 0.00 O ATOM 877 CB ILE A 51 4.506 12.666 -7.985 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.162 12.611 -8.758 1.00 0.00 C ATOM 879 CG2 ILE A 51 4.555 13.944 -7.129 1.00 0.00 C ATOM 880 CD1 ILE A 51 2.903 13.758 -9.749 1.00 0.00 C ATOM 0 H ILE A 51 5.297 10.453 -8.804 1.00 0.00 H new ATOM 0 HA ILE A 51 5.589 13.175 -9.774 1.00 0.00 H new ATOM 0 HB ILE A 51 4.569 11.820 -7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.119 11.669 -9.305 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.349 12.595 -8.032 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.670 13.991 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.449 13.930 -6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.580 14.818 -7.780 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.935 13.613 -10.229 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.904 14.708 -9.214 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.686 13.768 -10.507 1.00 0.00 H new ATOM 892 N ASN A 52 7.858 11.970 -7.864 1.00 0.00 N ATOM 893 CA ASN A 52 9.257 12.151 -7.459 1.00 0.00 C ATOM 894 C ASN A 52 10.177 12.508 -8.654 1.00 0.00 C ATOM 895 O ASN A 52 9.846 12.253 -9.817 1.00 0.00 O ATOM 896 CB ASN A 52 9.709 10.874 -6.724 1.00 0.00 C ATOM 897 CG ASN A 52 11.087 10.989 -6.095 1.00 0.00 C ATOM 898 OD1 ASN A 52 11.476 12.023 -5.572 1.00 0.00 O ATOM 899 ND2 ASN A 52 11.879 9.945 -6.145 1.00 0.00 N ATOM 0 H ASN A 52 7.540 11.006 -7.763 1.00 0.00 H new ATOM 0 HA ASN A 52 9.335 13.004 -6.785 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.983 10.636 -5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.708 10.041 -7.427 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.817 9.997 -5.748 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.557 9.081 -6.581 1.00 0.00 H new ATOM 967 N LEU B 4 -7.134 -4.048 12.978 1.00 0.00 N ATOM 968 CA LEU B 4 -8.096 -3.376 12.088 1.00 0.00 C ATOM 969 C LEU B 4 -8.171 -1.853 12.271 1.00 0.00 C ATOM 970 O LEU B 4 -8.112 -1.123 11.281 1.00 0.00 O ATOM 971 CB LEU B 4 -9.451 -4.112 12.112 1.00 0.00 C ATOM 972 CG LEU B 4 -10.197 -4.067 13.457 1.00 0.00 C ATOM 973 CD1 LEU B 4 -11.246 -2.954 13.492 1.00 0.00 C ATOM 974 CD2 LEU B 4 -10.910 -5.391 13.728 1.00 0.00 C ATOM 0 HA LEU B 4 -7.718 -3.456 11.069 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -10.094 -3.682 11.344 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -9.285 -5.155 11.842 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.442 -3.877 14.220 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -11.749 -2.958 14.459 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -10.759 -1.991 13.340 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -11.978 -3.119 12.702 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -11.430 -5.335 14.684 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -11.631 -5.585 12.934 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.178 -6.198 13.760 1.00 0.00 H new ATOM 986 N ARG B 5 -8.184 -1.356 13.515 1.00 0.00 N ATOM 987 CA ARG B 5 -8.139 0.089 13.824 1.00 0.00 C ATOM 988 C ARG B 5 -6.801 0.719 13.412 1.00 0.00 C ATOM 989 O ARG B 5 -6.763 1.833 12.895 1.00 0.00 O ATOM 990 CB ARG B 5 -8.439 0.270 15.325 1.00 0.00 C ATOM 991 CG ARG B 5 -9.244 1.547 15.608 1.00 0.00 C ATOM 992 CD ARG B 5 -9.679 1.584 17.079 1.00 0.00 C ATOM 993 NE ARG B 5 -10.711 2.616 17.315 1.00 0.00 N ATOM 994 CZ ARG B 5 -11.663 2.588 18.233 1.00 0.00 C ATOM 995 NH1 ARG B 5 -11.764 1.625 19.107 1.00 0.00 N ATOM 996 NH2 ARG B 5 -12.550 3.539 18.290 1.00 0.00 N ATOM 0 H ARG B 5 -8.226 -1.946 14.346 1.00 0.00 H new ATOM 0 HA ARG B 5 -8.896 0.615 13.243 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -8.994 -0.595 15.689 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -7.501 0.304 15.879 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -8.640 2.425 15.378 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -10.120 1.584 14.961 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -10.067 0.608 17.369 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -8.813 1.783 17.710 1.00 0.00 H new ATOM 0 HE ARG B 5 -10.686 3.435 16.707 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -11.094 0.856 19.099 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -12.513 1.641 19.799 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -12.513 4.311 17.625 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -13.282 3.512 19.000 1.00 0.00 H new ATOM 1010 N GLU B 6 -5.714 -0.038 13.581 1.00 0.00 N ATOM 1011 CA GLU B 6 -4.345 0.341 13.201 1.00 0.00 C ATOM 1012 C GLU B 6 -4.195 0.583 11.686 1.00 0.00 C ATOM 1013 O GLU B 6 -3.583 1.566 11.262 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.393 -0.784 13.663 1.00 0.00 C ATOM 1015 CG GLU B 6 -1.903 -0.418 13.597 1.00 0.00 C ATOM 1016 CD GLU B 6 -1.506 0.583 14.701 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -1.600 1.813 14.479 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -1.096 0.144 15.804 1.00 0.00 O ATOM 0 H GLU B 6 -5.762 -0.966 14.001 1.00 0.00 H new ATOM 0 HA GLU B 6 -4.097 1.286 13.685 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -3.643 -1.057 14.688 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.566 -1.666 13.047 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.303 -1.322 13.694 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.678 0.011 12.620 1.00 0.00 H new ATOM 1025 N LEU B 7 -4.797 -0.297 10.874 1.00 0.00 N ATOM 1026 CA LEU B 7 -4.769 -0.231 9.405 1.00 0.00 C ATOM 1027 C LEU B 7 -5.438 1.058 8.908 1.00 0.00 C ATOM 1028 O LEU B 7 -4.819 1.873 8.224 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.488 -1.463 8.801 1.00 0.00 C ATOM 1030 CG LEU B 7 -4.979 -2.848 9.231 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -5.679 -3.925 8.400 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -3.477 -3.027 9.055 1.00 0.00 C ATOM 0 H LEU B 7 -5.329 -1.092 11.227 1.00 0.00 H new ATOM 0 HA LEU B 7 -3.728 -0.231 9.082 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.546 -1.397 9.056 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.417 -1.398 7.715 1.00 0.00 H new ATOM 0 HG LEU B 7 -5.203 -2.938 10.294 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -5.320 -4.909 8.703 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -6.755 -3.866 8.561 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -5.461 -3.768 7.344 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.189 -4.027 9.379 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -3.216 -2.896 8.005 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.949 -2.286 9.655 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.692 1.242 9.327 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.607 2.346 9.018 1.00 0.00 C ATOM 1046 C TYR B 8 -7.005 3.717 9.330 1.00 0.00 C ATOM 1047 O TYR B 8 -7.122 4.639 8.523 1.00 0.00 O ATOM 1048 CB TYR B 8 -8.852 2.101 9.910 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.229 2.407 9.350 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.510 3.642 8.734 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.267 1.474 9.554 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.826 3.944 8.329 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.582 1.773 9.151 1.00 0.00 C ATOM 1054 CZ TYR B 8 -12.866 3.011 8.540 1.00 0.00 C ATOM 1055 OH TYR B 8 -14.145 3.307 8.191 1.00 0.00 O ATOM 0 H TYR B 8 -7.133 0.562 9.946 1.00 0.00 H new ATOM 0 HA TYR B 8 -7.838 2.361 7.953 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -8.843 1.052 10.207 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.727 2.691 10.818 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.717 4.357 8.572 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -11.052 0.525 10.022 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -12.040 4.891 7.856 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.373 1.055 9.310 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.142 3.920 7.426 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.340 3.859 10.481 1.00 0.00 N ATOM 1066 CA LYS B 9 -5.736 5.132 10.894 1.00 0.00 C ATOM 1067 C LYS B 9 -4.598 5.585 9.991 1.00 0.00 C ATOM 1068 O LYS B 9 -4.632 6.721 9.524 1.00 0.00 O ATOM 1069 CB LYS B 9 -5.310 5.062 12.370 1.00 0.00 C ATOM 1070 CG LYS B 9 -6.521 5.216 13.303 1.00 0.00 C ATOM 1071 CD LYS B 9 -6.111 5.035 14.772 1.00 0.00 C ATOM 1072 CE LYS B 9 -7.287 5.244 15.737 1.00 0.00 C ATOM 1073 NZ LYS B 9 -7.691 6.673 15.842 1.00 0.00 N ATOM 0 H LYS B 9 -6.205 3.101 11.150 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.502 5.900 10.788 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -4.816 4.110 12.564 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -4.583 5.847 12.580 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -6.968 6.201 13.165 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -7.282 4.481 13.041 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -5.703 4.034 14.912 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -5.316 5.740 15.014 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -8.139 4.653 15.400 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -7.013 4.874 16.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -8.488 6.761 16.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -6.888 7.236 16.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -7.980 7.022 14.906 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.640 4.720 9.671 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.590 5.031 8.704 1.00 0.00 C ATOM 1089 C LEU B 10 -3.148 5.245 7.285 1.00 0.00 C ATOM 1090 O LEU B 10 -2.724 6.167 6.587 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.474 3.974 8.769 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.514 4.240 9.949 1.00 0.00 C ATOM 1093 CD1 LEU B 10 0.328 3.005 10.245 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.448 5.399 9.662 1.00 0.00 C ATOM 0 H LEU B 10 -3.569 3.785 10.073 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.143 5.987 8.977 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -1.915 2.983 8.873 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.913 3.977 7.834 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.143 4.496 10.802 1.00 0.00 H new ATOM 0 HD11 LEU B 10 0.998 3.213 11.079 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.326 2.172 10.503 1.00 0.00 H new ATOM 0 HD13 LEU B 10 0.915 2.745 9.364 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.103 5.549 10.520 1.00 0.00 H new ATOM 0 HD22 LEU B 10 1.049 5.164 8.783 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -0.123 6.309 9.479 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.172 4.476 6.900 1.00 0.00 N ATOM 1107 CA GLU B 11 -4.989 4.711 5.704 1.00 0.00 C ATOM 1108 C GLU B 11 -5.631 6.113 5.665 1.00 0.00 C ATOM 1109 O GLU B 11 -5.645 6.734 4.600 1.00 0.00 O ATOM 1110 CB GLU B 11 -6.024 3.560 5.605 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.598 2.456 4.625 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.692 2.819 3.134 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -4.868 3.491 2.494 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.485 2.342 2.299 1.00 0.00 O ATOM 0 H GLU B 11 -4.463 3.651 7.425 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.349 4.703 4.822 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.171 3.125 6.593 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -6.984 3.968 5.290 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.569 2.174 4.848 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.215 1.576 4.806 1.00 0.00 H new ATOM 1121 N GLN B 12 -6.082 6.671 6.799 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.653 8.018 6.852 1.00 0.00 C ATOM 1123 C GLN B 12 -5.652 9.146 7.083 1.00 0.00 C ATOM 1124 O GLN B 12 -5.901 10.271 6.657 1.00 0.00 O ATOM 1125 CB GLN B 12 -7.760 8.048 7.901 1.00 0.00 C ATOM 1126 CG GLN B 12 -8.981 7.324 7.334 1.00 0.00 C ATOM 1127 CD GLN B 12 -10.178 7.368 8.283 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -10.085 7.082 9.469 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -11.350 7.740 7.810 1.00 0.00 N ATOM 0 H GLN B 12 -6.059 6.198 7.703 1.00 0.00 H new ATOM 0 HA GLN B 12 -7.050 8.218 5.857 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.426 7.566 8.819 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -8.014 9.077 8.156 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -9.259 7.777 6.382 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.721 6.285 7.129 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.448 7.983 6.824 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -12.159 7.785 8.430 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.501 8.867 7.683 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.416 9.843 7.816 1.00 0.00 C ATOM 1140 C GLN B 13 -2.802 10.204 6.461 1.00 0.00 C ATOM 1141 O GLN B 13 -2.499 11.378 6.247 1.00 0.00 O ATOM 1142 CB GLN B 13 -2.335 9.326 8.782 1.00 0.00 C ATOM 1143 CG GLN B 13 -2.751 9.411 10.260 1.00 0.00 C ATOM 1144 CD GLN B 13 -2.842 10.852 10.761 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -1.863 11.582 10.835 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -4.017 11.326 11.123 1.00 0.00 N ATOM 0 H GLN B 13 -4.289 7.957 8.093 1.00 0.00 H new ATOM 0 HA GLN B 13 -3.848 10.754 8.230 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -2.103 8.290 8.536 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -1.421 9.901 8.635 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -3.717 8.923 10.391 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -2.032 8.863 10.869 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -4.845 10.733 11.068 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -4.099 12.286 11.458 1.00 0.00 H new ATOM 1155 N ALA B 14 -2.702 9.261 5.514 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.333 9.594 4.138 1.00 0.00 C ATOM 1157 C ALA B 14 -3.450 10.406 3.463 1.00 0.00 C ATOM 1158 O ALA B 14 -3.168 11.414 2.826 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.027 8.295 3.380 1.00 0.00 C ATOM 0 H ALA B 14 -2.871 8.268 5.677 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.440 10.219 4.129 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.750 8.530 2.352 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.203 7.775 3.868 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.910 7.656 3.381 1.00 0.00 H new ATOM 1165 N MET B 15 -4.719 10.035 3.659 1.00 0.00 N ATOM 1166 CA MET B 15 -5.888 10.770 3.130 1.00 0.00 C ATOM 1167 C MET B 15 -5.964 12.222 3.634 1.00 0.00 C ATOM 1168 O MET B 15 -6.173 13.135 2.837 1.00 0.00 O ATOM 1169 CB MET B 15 -7.179 9.990 3.470 1.00 0.00 C ATOM 1170 CG MET B 15 -7.992 9.553 2.246 1.00 0.00 C ATOM 1171 SD MET B 15 -9.484 10.500 1.833 1.00 0.00 S ATOM 1172 CE MET B 15 -8.790 12.154 1.616 1.00 0.00 C ATOM 0 H MET B 15 -4.974 9.206 4.196 1.00 0.00 H new ATOM 0 HA MET B 15 -5.776 10.839 2.048 1.00 0.00 H new ATOM 0 HB2 MET B 15 -6.914 9.106 4.050 1.00 0.00 H new ATOM 0 HB3 MET B 15 -7.808 10.612 4.107 1.00 0.00 H new ATOM 0 HG2 MET B 15 -7.331 9.577 1.380 1.00 0.00 H new ATOM 0 HG3 MET B 15 -8.286 8.514 2.394 1.00 0.00 H new ATOM 0 HE1 MET B 15 -9.453 12.747 0.985 1.00 0.00 H new ATOM 0 HE2 MET B 15 -8.687 12.636 2.588 1.00 0.00 H new ATOM 0 HE3 MET B 15 -7.811 12.079 1.143 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.732 12.488 4.923 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.688 13.863 5.447 1.00 0.00 C ATOM 1184 C LYS B 16 -4.482 14.650 4.940 1.00 0.00 C ATOM 1185 O LYS B 16 -4.617 15.831 4.614 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.729 13.839 6.976 1.00 0.00 C ATOM 1187 CG LYS B 16 -7.175 13.638 7.452 1.00 0.00 C ATOM 1188 CD LYS B 16 -7.267 13.661 8.979 1.00 0.00 C ATOM 1189 CE LYS B 16 -8.739 13.664 9.408 1.00 0.00 C ATOM 1190 NZ LYS B 16 -8.886 13.661 10.888 1.00 0.00 N ATOM 0 H LYS B 16 -5.571 11.768 5.628 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.569 14.385 5.073 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -5.097 13.036 7.354 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -5.331 14.772 7.375 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -7.809 14.421 7.036 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -7.555 12.687 7.077 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -6.758 12.792 9.397 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -6.762 14.544 9.370 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -9.235 14.543 8.996 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -9.240 12.790 8.992 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -9.896 13.663 11.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -8.435 12.810 11.280 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -8.430 14.508 11.284 1.00 0.00 H new ATOM 1204 N LEU B 17 -3.334 13.988 4.786 1.00 0.00 N ATOM 1205 CA LEU B 17 -2.183 14.541 4.074 1.00 0.00 C ATOM 1206 C LEU B 17 -2.538 14.905 2.623 1.00 0.00 C ATOM 1207 O LEU B 17 -2.202 15.996 2.182 1.00 0.00 O ATOM 1208 CB LEU B 17 -1.019 13.535 4.163 1.00 0.00 C ATOM 1209 CG LEU B 17 0.000 13.876 5.261 1.00 0.00 C ATOM 1210 CD1 LEU B 17 0.995 12.730 5.389 1.00 0.00 C ATOM 1211 CD2 LEU B 17 0.799 15.150 4.967 1.00 0.00 C ATOM 0 H LEU B 17 -3.177 13.050 5.153 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.874 15.475 4.543 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.422 12.540 4.349 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.507 13.497 3.202 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.569 14.035 6.177 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.722 12.964 6.167 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.464 11.815 5.652 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.512 12.589 4.440 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.501 15.335 5.780 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.349 15.027 4.034 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.116 15.995 4.877 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.287 14.055 1.918 1.00 0.00 N ATOM 1224 CA TYR B 18 -3.804 14.284 0.563 1.00 0.00 C ATOM 1225 C TYR B 18 -4.763 15.482 0.479 1.00 0.00 C ATOM 1226 O TYR B 18 -4.638 16.309 -0.428 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.464 12.979 0.060 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.516 12.083 -0.707 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -2.912 12.564 -1.880 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.194 10.799 -0.228 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -1.916 11.810 -2.524 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -2.197 10.040 -0.861 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.538 10.560 -1.995 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.556 9.847 -2.598 1.00 0.00 O ATOM 0 H TYR B 18 -3.563 13.147 2.291 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.969 14.547 -0.086 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -4.861 12.429 0.913 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.310 13.231 -0.579 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.214 13.517 -2.289 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -3.715 10.397 0.628 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.443 12.186 -3.419 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.936 9.063 -0.482 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.414 9.009 -2.110 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.678 15.620 1.448 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.624 16.746 1.564 1.00 0.00 C ATOM 1246 C ARG B 19 -5.895 18.091 1.631 1.00 0.00 C ATOM 1247 O ARG B 19 -6.278 19.027 0.931 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.539 16.488 2.783 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.927 17.161 2.770 1.00 0.00 C ATOM 1250 CD ARG B 19 -8.990 18.621 3.247 1.00 0.00 C ATOM 1251 NE ARG B 19 -8.724 19.588 2.164 1.00 0.00 N ATOM 1252 CZ ARG B 19 -9.330 20.737 1.926 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -10.323 21.176 2.647 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -8.934 21.476 0.931 1.00 0.00 N ATOM 0 H ARG B 19 -5.786 14.934 2.195 1.00 0.00 H new ATOM 0 HA ARG B 19 -7.246 16.807 0.671 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -7.685 15.412 2.876 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -7.011 16.816 3.678 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -9.317 17.118 1.753 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -9.598 16.570 3.394 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -9.975 18.818 3.670 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -8.264 18.769 4.047 1.00 0.00 H new ATOM 0 HE ARG B 19 -7.977 19.337 1.517 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -10.664 20.625 3.435 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -10.759 22.071 2.424 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -8.161 21.166 0.342 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -9.397 22.365 0.740 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.830 18.191 2.423 1.00 0.00 N ATOM 1269 CA GLU B 20 -4.056 19.431 2.603 1.00 0.00 C ATOM 1270 C GLU B 20 -2.980 19.646 1.538 1.00 0.00 C ATOM 1271 O GLU B 20 -2.754 20.771 1.098 1.00 0.00 O ATOM 1272 CB GLU B 20 -3.389 19.394 3.984 1.00 0.00 C ATOM 1273 CG GLU B 20 -3.384 20.748 4.703 1.00 0.00 C ATOM 1274 CD GLU B 20 -4.789 21.137 5.212 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -5.150 20.759 6.354 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -5.533 21.833 4.481 1.00 0.00 O ATOM 0 H GLU B 20 -4.470 17.407 2.968 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.757 20.261 2.510 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.905 18.664 4.607 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -2.361 19.048 3.872 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -2.691 20.710 5.544 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -3.018 21.518 4.024 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.356 18.565 1.074 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.462 18.589 -0.084 1.00 0.00 C ATOM 1285 C ALA B 21 -2.161 19.156 -1.328 1.00 0.00 C ATOM 1286 O ALA B 21 -1.530 19.881 -2.088 1.00 0.00 O ATOM 1287 CB ALA B 21 -0.900 17.192 -0.352 1.00 0.00 C ATOM 0 H ALA B 21 -2.457 17.641 1.493 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.631 19.256 0.147 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.237 17.226 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.342 16.851 0.520 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -1.720 16.502 -0.551 1.00 0.00 H new ATOM 1293 N SER B 22 -3.469 18.914 -1.495 1.00 0.00 N ATOM 1294 CA SER B 22 -4.301 19.549 -2.530 1.00 0.00 C ATOM 1295 C SER B 22 -4.278 21.091 -2.481 1.00 0.00 C ATOM 1296 O SER B 22 -4.353 21.739 -3.524 1.00 0.00 O ATOM 1297 CB SER B 22 -5.740 19.034 -2.420 1.00 0.00 C ATOM 1298 OG SER B 22 -6.486 19.357 -3.581 1.00 0.00 O ATOM 0 H SER B 22 -3.988 18.262 -0.906 1.00 0.00 H new ATOM 0 HA SER B 22 -3.872 19.272 -3.493 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.733 17.953 -2.277 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.219 19.469 -1.543 1.00 0.00 H new ATOM 0 HG SER B 22 -7.400 19.017 -3.488 1.00 0.00 H new ATOM 1304 N GLU B 23 -4.112 21.702 -1.297 1.00 0.00 N ATOM 1305 CA GLU B 23 -3.977 23.162 -1.155 1.00 0.00 C ATOM 1306 C GLU B 23 -2.656 23.692 -1.742 1.00 0.00 C ATOM 1307 O GLU B 23 -2.650 24.681 -2.476 1.00 0.00 O ATOM 1308 CB GLU B 23 -4.083 23.547 0.328 1.00 0.00 C ATOM 1309 CG GLU B 23 -4.489 25.008 0.565 1.00 0.00 C ATOM 1310 CD GLU B 23 -5.930 25.302 0.098 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -6.895 24.930 0.810 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -6.110 25.915 -0.981 1.00 0.00 O ATOM 0 H GLU B 23 -4.068 21.199 -0.411 1.00 0.00 H new ATOM 0 HA GLU B 23 -4.787 23.622 -1.722 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -4.811 22.895 0.811 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -3.123 23.365 0.810 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -4.400 25.239 1.626 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -3.798 25.665 0.037 1.00 0.00 H new ATOM 1319 N LYS B 24 -1.532 23.013 -1.465 1.00 0.00 N ATOM 1320 CA LYS B 24 -0.227 23.326 -2.091 1.00 0.00 C ATOM 1321 C LYS B 24 -0.198 22.970 -3.582 1.00 0.00 C ATOM 1322 O LYS B 24 0.270 23.760 -4.402 1.00 0.00 O ATOM 1323 CB LYS B 24 0.933 22.630 -1.359 1.00 0.00 C ATOM 1324 CG LYS B 24 1.127 23.145 0.077 1.00 0.00 C ATOM 1325 CD LYS B 24 2.552 22.857 0.572 1.00 0.00 C ATOM 1326 CE LYS B 24 2.741 23.342 2.014 1.00 0.00 C ATOM 1327 NZ LYS B 24 4.179 23.459 2.365 1.00 0.00 N ATOM 0 H LYS B 24 -1.496 22.235 -0.806 1.00 0.00 H new ATOM 0 HA LYS B 24 -0.097 24.405 -2.002 1.00 0.00 H new ATOM 0 HB2 LYS B 24 0.748 21.556 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS B 24 1.854 22.781 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS B 24 0.935 24.217 0.113 1.00 0.00 H new ATOM 0 HG3 LYS B 24 0.404 22.669 0.740 1.00 0.00 H new ATOM 0 HD2 LYS B 24 2.751 21.787 0.515 1.00 0.00 H new ATOM 0 HD3 LYS B 24 3.274 23.350 -0.079 1.00 0.00 H new ATOM 0 HE2 LYS B 24 2.255 24.309 2.140 1.00 0.00 H new ATOM 0 HE3 LYS B 24 2.253 22.648 2.699 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 4.271 23.789 3.347 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 4.637 22.530 2.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 4.638 24.140 1.726 1.00 0.00 H new ATOM 1341 N ALA B 25 -0.769 21.824 -3.942 1.00 0.00 N ATOM 1342 CA ALA B 25 -0.890 21.285 -5.298 1.00 0.00 C ATOM 1343 C ALA B 25 -2.045 21.900 -6.122 1.00 0.00 C ATOM 1344 O ALA B 25 -2.505 21.274 -7.076 1.00 0.00 O ATOM 1345 CB ALA B 25 -1.043 19.761 -5.184 1.00 0.00 C ATOM 0 H ALA B 25 -1.188 21.204 -3.249 1.00 0.00 H new ATOM 0 HA ALA B 25 0.011 21.552 -5.850 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -1.136 19.329 -6.180 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -0.167 19.344 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -1.935 19.527 -4.603 1.00 0.00 H new ATOM 1351 N ARG B 26 -2.530 23.103 -5.770 1.00 0.00 N ATOM 1352 CA ARG B 26 -3.656 23.807 -6.425 1.00 0.00 C ATOM 1353 C ARG B 26 -3.574 23.959 -7.953 1.00 0.00 C ATOM 1354 O ARG B 26 -4.606 24.162 -8.592 1.00 0.00 O ATOM 1355 CB ARG B 26 -3.925 25.166 -5.739 1.00 0.00 C ATOM 1356 CG ARG B 26 -2.945 26.317 -6.053 1.00 0.00 C ATOM 1357 CD ARG B 26 -1.498 26.060 -5.618 1.00 0.00 C ATOM 1358 NE ARG B 26 -0.621 27.206 -5.915 1.00 0.00 N ATOM 1359 CZ ARG B 26 0.698 27.225 -5.818 1.00 0.00 C ATOM 1360 NH1 ARG B 26 1.384 26.198 -5.398 1.00 0.00 N ATOM 1361 NH2 ARG B 26 1.364 28.294 -6.153 1.00 0.00 N ATOM 0 H ARG B 26 -2.137 23.635 -4.993 1.00 0.00 H new ATOM 0 HA ARG B 26 -4.506 23.140 -6.282 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -4.928 25.491 -6.014 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -3.926 25.007 -4.661 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -2.960 26.506 -7.126 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -3.302 27.224 -5.564 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -1.472 25.852 -4.548 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -1.119 25.173 -6.125 1.00 0.00 H new ATOM 0 HE ARG B 26 -1.074 28.066 -6.225 1.00 0.00 H new ATOM 0 HH11 ARG B 26 0.904 25.339 -5.130 1.00 0.00 H new ATOM 0 HH12 ARG B 26 2.401 26.254 -5.338 1.00 0.00 H new ATOM 0 HH21 ARG B 26 0.868 29.119 -6.491 1.00 0.00 H new ATOM 0 HH22 ARG B 26 2.381 28.306 -6.077 1.00 0.00 H new ATOM 1375 N ASN B 27 -2.379 23.861 -8.542 1.00 0.00 N ATOM 1376 CA ASN B 27 -2.183 23.793 -9.992 1.00 0.00 C ATOM 1377 C ASN B 27 -2.934 22.570 -10.575 1.00 0.00 C ATOM 1378 O ASN B 27 -2.756 21.457 -10.066 1.00 0.00 O ATOM 1379 CB ASN B 27 -0.666 23.738 -10.257 1.00 0.00 C ATOM 1380 CG ASN B 27 -0.327 23.739 -11.740 1.00 0.00 C ATOM 1381 OD1 ASN B 27 -0.711 22.851 -12.486 1.00 0.00 O ATOM 1382 ND2 ASN B 27 0.382 24.733 -12.222 1.00 0.00 N ATOM 0 H ASN B 27 -1.506 23.826 -8.015 1.00 0.00 H new ATOM 0 HA ASN B 27 -2.595 24.671 -10.490 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -0.187 24.592 -9.779 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -0.253 22.841 -9.795 1.00 0.00 H new ATOM 0 HD21 ASN B 27 0.610 24.762 -13.216 1.00 0.00 H new ATOM 0 HD22 ASN B 27 0.705 25.477 -11.603 1.00 0.00 H new ATOM 1389 N PRO B 28 -3.744 22.721 -11.643 1.00 0.00 N ATOM 1390 CA PRO B 28 -4.631 21.660 -12.128 1.00 0.00 C ATOM 1391 C PRO B 28 -3.895 20.399 -12.605 1.00 0.00 C ATOM 1392 O PRO B 28 -4.477 19.315 -12.600 1.00 0.00 O ATOM 1393 CB PRO B 28 -5.471 22.297 -13.242 1.00 0.00 C ATOM 1394 CG PRO B 28 -4.609 23.460 -13.730 1.00 0.00 C ATOM 1395 CD PRO B 28 -3.893 23.915 -12.461 1.00 0.00 C ATOM 0 HA PRO B 28 -5.252 21.292 -11.311 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.676 21.587 -14.044 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.435 22.643 -12.868 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.904 23.145 -14.500 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -5.214 24.258 -14.160 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.923 24.353 -12.695 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -4.470 24.678 -11.938 1.00 0.00 H new ATOM 1403 N GLU B 29 -2.612 20.514 -12.962 1.00 0.00 N ATOM 1404 CA GLU B 29 -1.771 19.395 -13.414 1.00 0.00 C ATOM 1405 C GLU B 29 -1.603 18.309 -12.343 1.00 0.00 C ATOM 1406 O GLU B 29 -1.724 17.117 -12.620 1.00 0.00 O ATOM 1407 CB GLU B 29 -0.395 19.951 -13.820 1.00 0.00 C ATOM 1408 CG GLU B 29 0.441 19.004 -14.690 1.00 0.00 C ATOM 1409 CD GLU B 29 -0.140 18.865 -16.112 1.00 0.00 C ATOM 1410 OE1 GLU B 29 0.180 19.706 -16.988 1.00 0.00 O ATOM 1411 OE2 GLU B 29 -0.913 17.910 -16.370 1.00 0.00 O ATOM 0 H GLU B 29 -2.116 21.405 -12.945 1.00 0.00 H new ATOM 0 HA GLU B 29 -2.265 18.921 -14.262 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -0.540 20.887 -14.359 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.168 20.187 -12.917 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.464 19.375 -14.751 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.485 18.022 -14.219 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.366 18.747 -11.104 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.253 17.900 -9.908 1.00 0.00 C ATOM 1420 C LYS B 30 -2.586 17.729 -9.188 1.00 0.00 C ATOM 1421 O LYS B 30 -2.881 16.611 -8.761 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.160 18.414 -8.951 1.00 0.00 C ATOM 1423 CG LYS B 30 1.274 18.018 -9.351 1.00 0.00 C ATOM 1424 CD LYS B 30 1.870 18.822 -10.517 1.00 0.00 C ATOM 1425 CE LYS B 30 3.271 18.337 -10.925 1.00 0.00 C ATOM 1426 NZ LYS B 30 4.296 18.569 -9.874 1.00 0.00 N ATOM 0 H LYS B 30 -1.243 19.738 -10.896 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.953 16.911 -10.255 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -0.222 19.501 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.363 18.034 -7.950 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.922 18.133 -8.482 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.282 16.961 -9.617 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.203 18.754 -11.377 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.923 19.874 -10.237 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.228 17.272 -11.154 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.574 18.848 -11.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 5.218 18.222 -10.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 4.361 19.587 -9.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 4.026 18.060 -9.008 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.437 18.764 -9.133 1.00 0.00 N ATOM 1441 CA LYS B 31 -4.793 18.670 -8.560 1.00 0.00 C ATOM 1442 C LYS B 31 -5.658 17.584 -9.206 1.00 0.00 C ATOM 1443 O LYS B 31 -6.473 16.968 -8.527 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.480 20.045 -8.567 1.00 0.00 C ATOM 1445 CG LYS B 31 -6.645 20.098 -7.568 1.00 0.00 C ATOM 1446 CD LYS B 31 -7.238 21.508 -7.483 1.00 0.00 C ATOM 1447 CE LYS B 31 -8.399 21.516 -6.481 1.00 0.00 C ATOM 1448 NZ LYS B 31 -9.010 22.866 -6.354 1.00 0.00 N ATOM 0 H LYS B 31 -3.206 19.693 -9.485 1.00 0.00 H new ATOM 0 HA LYS B 31 -4.675 18.353 -7.524 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -4.752 20.818 -8.320 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -5.849 20.263 -9.569 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.419 19.393 -7.870 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.297 19.787 -6.583 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -6.471 22.218 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.589 21.826 -8.465 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.159 20.802 -6.799 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.040 21.186 -5.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -9.791 22.831 -5.668 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -8.292 23.543 -6.026 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.375 23.170 -7.279 1.00 0.00 H new ATOM 1462 N SER B 32 -5.413 17.279 -10.480 1.00 0.00 N ATOM 1463 CA SER B 32 -6.098 16.213 -11.234 1.00 0.00 C ATOM 1464 C SER B 32 -5.323 14.888 -11.299 1.00 0.00 C ATOM 1465 O SER B 32 -5.712 13.987 -12.043 1.00 0.00 O ATOM 1466 CB SER B 32 -6.444 16.688 -12.655 1.00 0.00 C ATOM 1467 OG SER B 32 -7.082 17.955 -12.646 1.00 0.00 O ATOM 0 H SER B 32 -4.716 17.775 -11.036 1.00 0.00 H new ATOM 0 HA SER B 32 -7.011 16.005 -10.676 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.533 16.744 -13.251 1.00 0.00 H new ATOM 0 HB3 SER B 32 -7.095 15.957 -13.134 1.00 0.00 H new ATOM 0 HG SER B 32 -6.404 18.662 -12.628 1.00 0.00 H new ATOM 1473 N VAL B 33 -4.261 14.730 -10.502 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.520 13.465 -10.328 1.00 0.00 C ATOM 1475 C VAL B 33 -3.663 12.957 -8.897 1.00 0.00 C ATOM 1476 O VAL B 33 -4.029 11.794 -8.717 1.00 0.00 O ATOM 1477 CB VAL B 33 -2.040 13.613 -10.742 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -1.188 12.391 -10.370 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.935 13.792 -12.262 1.00 0.00 C ATOM 0 H VAL B 33 -3.879 15.494 -9.944 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.957 12.719 -10.992 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.664 14.483 -10.203 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -0.158 12.555 -10.687 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.216 12.243 -9.291 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.584 11.506 -10.868 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.887 13.896 -12.545 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -2.361 12.922 -12.761 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.482 14.686 -12.562 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.495 13.808 -7.871 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.733 13.376 -6.495 1.00 0.00 C ATOM 1491 C LEU B 34 -5.235 13.130 -6.201 1.00 0.00 C ATOM 1492 O LEU B 34 -5.561 12.397 -5.269 1.00 0.00 O ATOM 1493 CB LEU B 34 -2.970 14.299 -5.521 1.00 0.00 C ATOM 1494 CG LEU B 34 -3.800 15.414 -4.891 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -3.040 16.117 -3.762 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -4.225 16.502 -5.863 1.00 0.00 C ATOM 0 H LEU B 34 -3.201 14.780 -7.970 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.312 12.384 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.548 13.688 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.133 14.749 -6.054 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.686 14.896 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.664 16.904 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.792 15.394 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.123 16.554 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.810 17.254 -5.334 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.340 16.969 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.830 16.064 -6.657 1.00 0.00 H new ATOM 1508 N GLN B 35 -6.149 13.665 -7.028 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.592 13.419 -6.921 1.00 0.00 C ATOM 1510 C GLN B 35 -7.963 11.934 -7.067 1.00 0.00 C ATOM 1511 O GLN B 35 -8.788 11.429 -6.307 1.00 0.00 O ATOM 1512 CB GLN B 35 -8.319 14.274 -7.974 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.841 14.062 -8.034 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.509 14.948 -9.090 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -10.016 15.140 -10.194 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -11.663 15.516 -8.805 1.00 0.00 N ATOM 0 H GLN B 35 -5.901 14.287 -7.797 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.909 13.705 -5.918 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -8.120 15.326 -7.769 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -7.896 14.055 -8.955 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -10.052 13.016 -8.255 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -10.274 14.275 -7.057 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -12.092 15.369 -7.891 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -12.128 16.102 -9.498 1.00 0.00 H new ATOM 1525 N LYS B 36 -7.363 11.213 -8.023 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.687 9.792 -8.247 1.00 0.00 C ATOM 1527 C LYS B 36 -7.204 8.894 -7.114 1.00 0.00 C ATOM 1528 O LYS B 36 -7.931 7.985 -6.721 1.00 0.00 O ATOM 1529 CB LYS B 36 -7.130 9.320 -9.601 1.00 0.00 C ATOM 1530 CG LYS B 36 -8.065 9.724 -10.753 1.00 0.00 C ATOM 1531 CD LYS B 36 -7.457 9.410 -12.132 1.00 0.00 C ATOM 1532 CE LYS B 36 -6.400 10.441 -12.552 1.00 0.00 C ATOM 1533 NZ LYS B 36 -7.026 11.717 -12.991 1.00 0.00 N ATOM 0 H LYS B 36 -6.653 11.586 -8.653 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.774 9.710 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -6.142 9.751 -9.762 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -7.007 8.237 -9.590 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -9.015 9.200 -10.649 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -8.280 10.790 -10.687 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -7.005 8.418 -12.110 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -8.251 9.382 -12.879 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -5.726 10.634 -11.717 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -5.795 10.034 -13.362 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -6.486 12.519 -12.607 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -7.025 11.765 -14.030 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -8.005 11.761 -12.643 1.00 0.00 H new ATOM 1547 N ILE B 37 -6.041 9.194 -6.531 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.596 8.551 -5.288 1.00 0.00 C ATOM 1549 C ILE B 37 -6.578 8.873 -4.153 1.00 0.00 C ATOM 1550 O ILE B 37 -7.061 7.944 -3.519 1.00 0.00 O ATOM 1551 CB ILE B 37 -4.166 9.002 -4.914 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -3.100 8.661 -5.967 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.813 8.452 -3.517 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.682 9.156 -5.637 1.00 0.00 C ATOM 0 H ILE B 37 -5.385 9.882 -6.901 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.576 7.472 -5.443 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.163 10.092 -4.887 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -3.071 7.579 -6.096 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.405 9.088 -6.923 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.805 8.766 -3.246 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.522 8.837 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.862 7.363 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -1.001 8.868 -6.438 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.689 10.242 -5.539 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.350 8.710 -4.700 1.00 0.00 H new ATOM 1566 N LEU B 38 -6.920 10.143 -3.892 1.00 0.00 N ATOM 1567 CA LEU B 38 -7.824 10.466 -2.777 1.00 0.00 C ATOM 1568 C LEU B 38 -9.219 9.821 -2.934 1.00 0.00 C ATOM 1569 O LEU B 38 -9.797 9.376 -1.941 1.00 0.00 O ATOM 1570 CB LEU B 38 -7.784 11.970 -2.429 1.00 0.00 C ATOM 1571 CG LEU B 38 -8.882 12.827 -3.062 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -10.172 12.883 -2.235 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -8.405 14.272 -3.231 1.00 0.00 C ATOM 0 H LEU B 38 -6.593 10.949 -4.425 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.450 9.986 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.846 12.075 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -6.816 12.369 -2.733 1.00 0.00 H new ATOM 0 HG LEU B 38 -9.095 12.350 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -10.905 13.508 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -10.573 11.876 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -9.957 13.304 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -9.199 14.867 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.150 14.687 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.526 14.292 -3.875 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.731 9.674 -4.163 1.00 0.00 N ATOM 1586 CA GLU B 39 -10.992 8.962 -4.411 1.00 0.00 C ATOM 1587 C GLU B 39 -10.869 7.440 -4.228 1.00 0.00 C ATOM 1588 O GLU B 39 -11.760 6.810 -3.654 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.508 9.328 -5.813 1.00 0.00 C ATOM 1590 CG GLU B 39 -12.922 8.800 -6.084 1.00 0.00 C ATOM 1591 CD GLU B 39 -13.444 9.296 -7.447 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -14.052 10.393 -7.506 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -13.263 8.588 -8.468 1.00 0.00 O ATOM 0 H GLU B 39 -9.288 10.041 -5.006 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.716 9.283 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.503 10.412 -5.925 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.826 8.927 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.917 7.710 -6.067 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -13.595 9.128 -5.292 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.747 6.844 -4.634 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.391 5.464 -4.336 1.00 0.00 C ATOM 1602 C ASP B 40 -9.253 5.217 -2.824 1.00 0.00 C ATOM 1603 O ASP B 40 -9.690 4.180 -2.331 1.00 0.00 O ATOM 1604 CB ASP B 40 -8.060 5.179 -5.045 1.00 0.00 C ATOM 1605 CG ASP B 40 -8.154 4.665 -6.490 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -9.264 4.482 -7.045 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -7.063 4.434 -7.064 1.00 0.00 O ATOM 0 H ASP B 40 -9.044 7.325 -5.195 1.00 0.00 H new ATOM 0 HA ASP B 40 -10.180 4.798 -4.686 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.470 6.095 -5.046 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.509 4.446 -4.456 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.697 6.165 -2.061 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.578 6.013 -0.606 1.00 0.00 C ATOM 1614 C GLU B 41 -9.945 6.116 0.086 1.00 0.00 C ATOM 1615 O GLU B 41 -10.231 5.342 0.995 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.606 7.026 0.026 1.00 0.00 C ATOM 1617 CG GLU B 41 -6.129 7.018 -0.412 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.419 5.664 -0.364 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -5.905 4.687 0.257 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -4.317 5.525 -0.954 1.00 0.00 O ATOM 0 H GLU B 41 -8.324 7.042 -2.425 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.169 5.015 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -8.000 8.024 -0.165 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.630 6.876 1.105 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -6.072 7.399 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.580 7.716 0.220 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.834 6.997 -0.378 1.00 0.00 N ATOM 1628 CA GLU B 42 -12.231 7.021 0.076 1.00 0.00 C ATOM 1629 C GLU B 42 -12.940 5.676 -0.188 1.00 0.00 C ATOM 1630 O GLU B 42 -13.682 5.185 0.667 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.967 8.204 -0.574 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.374 8.404 0.005 1.00 0.00 C ATOM 1633 CD GLU B 42 -15.031 9.678 -0.559 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -15.638 9.620 -1.657 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -14.962 10.746 0.098 1.00 0.00 O ATOM 0 H GLU B 42 -10.611 7.709 -1.073 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.246 7.163 1.157 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.385 9.114 -0.431 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -13.039 8.038 -1.649 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -14.993 7.538 -0.229 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.317 8.471 1.091 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.645 5.030 -1.325 1.00 0.00 N ATOM 1643 CA LYS B 43 -13.088 3.668 -1.654 1.00 0.00 C ATOM 1644 C LYS B 43 -12.547 2.625 -0.667 1.00 0.00 C ATOM 1645 O LYS B 43 -13.315 1.793 -0.192 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.703 3.343 -3.112 1.00 0.00 C ATOM 1647 CG LYS B 43 -13.932 3.037 -3.979 1.00 0.00 C ATOM 1648 CD LYS B 43 -13.530 2.829 -5.449 1.00 0.00 C ATOM 1649 CE LYS B 43 -14.734 2.808 -6.403 1.00 0.00 C ATOM 1650 NZ LYS B 43 -15.620 1.630 -6.198 1.00 0.00 N ATOM 0 H LYS B 43 -12.077 5.451 -2.060 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.173 3.624 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.159 4.185 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -12.028 2.487 -3.126 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -14.432 2.144 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.647 3.857 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -12.849 3.625 -5.750 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -12.984 1.890 -5.541 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -15.315 3.720 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -14.375 2.810 -7.432 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -16.413 1.671 -6.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -15.078 0.756 -6.355 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -15.989 1.638 -5.226 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.270 2.683 -0.276 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.687 1.808 0.721 1.00 0.00 C ATOM 1666 C HIS B 44 -11.332 1.986 2.092 1.00 0.00 C ATOM 1667 O HIS B 44 -11.635 0.996 2.747 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.200 2.136 0.803 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.385 1.905 -0.439 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -7.029 2.245 -0.589 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -8.846 1.348 -1.591 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.736 1.893 -1.865 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.809 1.372 -2.479 1.00 0.00 N ATOM 0 H HIS B 44 -10.607 3.357 -0.658 1.00 0.00 H new ATOM 0 HA HIS B 44 -10.853 0.771 0.428 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -9.098 3.184 1.086 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.766 1.545 1.609 1.00 0.00 H new ATOM 0 HD1 HIS B 44 -6.407 2.662 0.104 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -9.839 0.962 -1.769 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.767 2.016 -2.326 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.576 3.231 2.509 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.261 3.560 3.762 1.00 0.00 C ATOM 1683 C ILE B 45 -13.703 3.021 3.768 1.00 0.00 C ATOM 1684 O ILE B 45 -14.124 2.465 4.779 1.00 0.00 O ATOM 1685 CB ILE B 45 -12.143 5.085 4.028 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -10.884 5.420 4.861 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.356 5.666 4.774 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.532 5.169 4.183 1.00 0.00 C ATOM 0 H ILE B 45 -11.298 4.054 1.975 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.777 3.058 4.599 1.00 0.00 H new ATOM 0 HB ILE B 45 -12.084 5.536 3.037 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -10.933 6.471 5.147 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -10.918 4.837 5.781 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -13.210 6.735 4.928 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -14.258 5.504 4.184 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.461 5.171 5.740 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.727 5.441 4.865 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.446 4.114 3.923 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.461 5.773 3.278 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.439 3.084 2.651 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.750 2.432 2.522 1.00 0.00 C ATOM 1702 C GLU B 46 -15.681 0.916 2.769 1.00 0.00 C ATOM 1703 O GLU B 46 -16.496 0.369 3.511 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.344 2.709 1.129 1.00 0.00 C ATOM 1705 CG GLU B 46 -17.115 4.026 1.026 1.00 0.00 C ATOM 1706 CD GLU B 46 -18.491 3.936 1.711 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -19.448 3.411 1.090 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -18.631 4.404 2.868 1.00 0.00 O ATOM 0 H GLU B 46 -14.144 3.586 1.814 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.395 2.857 3.291 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.536 2.716 0.397 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.010 1.889 0.861 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.532 4.825 1.484 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.248 4.289 -0.023 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.693 0.230 2.191 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.526 -1.215 2.331 1.00 0.00 C ATOM 1717 C TRP B 47 -14.023 -1.614 3.729 1.00 0.00 C ATOM 1718 O TRP B 47 -14.477 -2.606 4.296 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.535 -1.695 1.275 1.00 0.00 C ATOM 1720 CG TRP B 47 -13.773 -1.326 -0.160 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -14.918 -0.897 -0.745 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -12.773 -1.319 -1.214 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -14.675 -0.613 -2.081 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.357 -0.851 -2.423 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.410 -1.651 -1.239 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -12.604 -0.717 -3.603 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -10.637 -1.524 -2.405 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.235 -1.051 -3.590 1.00 0.00 C ATOM 0 H TRP B 47 -13.980 0.668 1.607 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.501 -1.684 2.194 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.550 -1.321 1.553 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.491 -2.783 1.333 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -15.871 -0.793 -0.248 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.382 -0.271 -2.731 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -10.942 -2.015 -0.336 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.070 -0.362 -4.510 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -9.590 -1.788 -2.393 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -10.644 -0.944 -4.488 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.127 -0.816 4.310 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.658 -0.918 5.693 1.00 0.00 C ATOM 1741 C LEU B 48 -13.810 -0.804 6.693 1.00 0.00 C ATOM 1742 O LEU B 48 -13.923 -1.627 7.599 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.627 0.201 5.932 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.200 -0.169 5.517 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.341 1.094 5.479 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.567 -1.150 6.510 1.00 0.00 C ATOM 0 H LEU B 48 -12.688 -0.045 3.806 1.00 0.00 H new ATOM 0 HA LEU B 48 -12.204 -1.897 5.846 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -11.936 1.089 5.381 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -11.630 0.464 6.990 1.00 0.00 H new ATOM 0 HG LEU B 48 -10.248 -0.639 4.535 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.324 0.834 5.184 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -9.759 1.797 4.759 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -9.326 1.553 6.467 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.555 -1.392 6.187 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -9.533 -0.694 7.500 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -10.163 -2.062 6.551 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.711 0.153 6.488 1.00 0.00 N ATOM 1759 CA GLU B 49 -15.954 0.269 7.264 1.00 0.00 C ATOM 1760 C GLU B 49 -16.853 -0.958 7.101 1.00 0.00 C ATOM 1761 O GLU B 49 -17.496 -1.394 8.059 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.748 1.511 6.833 1.00 0.00 C ATOM 1763 CG GLU B 49 -17.525 2.108 8.014 1.00 0.00 C ATOM 1764 CD GLU B 49 -18.361 3.331 7.589 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.547 3.156 7.213 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -17.858 4.479 7.662 1.00 0.00 O ATOM 0 H GLU B 49 -14.604 0.876 5.777 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.658 0.352 8.310 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -16.067 2.259 6.427 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.441 1.244 6.035 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -18.182 1.348 8.438 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -16.827 2.400 8.798 1.00 0.00 H new ATOM 1773 N THR B 50 -16.869 -1.547 5.902 1.00 0.00 N ATOM 1774 CA THR B 50 -17.646 -2.760 5.618 1.00 0.00 C ATOM 1775 C THR B 50 -17.053 -4.007 6.298 1.00 0.00 C ATOM 1776 O THR B 50 -17.774 -4.967 6.576 1.00 0.00 O ATOM 1777 CB THR B 50 -17.795 -2.896 4.094 1.00 0.00 C ATOM 1778 OG1 THR B 50 -18.734 -1.940 3.644 1.00 0.00 O ATOM 1779 CG2 THR B 50 -18.299 -4.246 3.618 1.00 0.00 C ATOM 0 H THR B 50 -16.344 -1.198 5.100 1.00 0.00 H new ATOM 0 HA THR B 50 -18.642 -2.672 6.052 1.00 0.00 H new ATOM 0 HB THR B 50 -16.791 -2.757 3.693 1.00 0.00 H new ATOM 0 HG1 THR B 50 -18.283 -1.082 3.499 1.00 0.00 H new ATOM 0 HG21 THR B 50 -18.371 -4.245 2.530 1.00 0.00 H new ATOM 0 HG22 THR B 50 -17.606 -5.025 3.935 1.00 0.00 H new ATOM 0 HG23 THR B 50 -19.283 -4.439 4.046 1.00 0.00 H new ATOM 1787 N ILE B 51 -15.761 -3.970 6.643 1.00 0.00 N ATOM 1788 CA ILE B 51 -15.011 -5.045 7.321 1.00 0.00 C ATOM 1789 C ILE B 51 -14.882 -4.842 8.844 1.00 0.00 C ATOM 1790 O ILE B 51 -14.616 -5.790 9.587 1.00 0.00 O ATOM 1791 CB ILE B 51 -13.666 -5.251 6.567 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -13.743 -6.416 5.556 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -12.443 -5.534 7.446 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -14.845 -6.268 4.510 1.00 0.00 C ATOM 0 H ILE B 51 -15.179 -3.155 6.450 1.00 0.00 H new ATOM 0 HA ILE B 51 -15.574 -5.976 7.265 1.00 0.00 H new ATOM 0 HB ILE B 51 -13.526 -4.284 6.083 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -12.784 -6.503 5.046 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -13.899 -7.346 6.102 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -11.563 -5.660 6.815 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -12.284 -4.699 8.128 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -12.611 -6.445 8.021 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -14.829 -7.128 3.841 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -15.813 -6.213 5.007 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -14.680 -5.357 3.934 1.00 0.00 H new ATOM 1806 N ASN B 52 -15.137 -3.626 9.319 1.00 0.00 N ATOM 1807 CA ASN B 52 -15.192 -3.269 10.742 1.00 0.00 C ATOM 1808 C ASN B 52 -16.355 -3.978 11.482 1.00 0.00 C ATOM 1809 O ASN B 52 -17.376 -4.328 10.880 1.00 0.00 O ATOM 1810 CB ASN B 52 -15.280 -1.733 10.847 1.00 0.00 C ATOM 1811 CG ASN B 52 -15.149 -1.210 12.270 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -14.481 -1.785 13.118 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -15.788 -0.107 12.588 1.00 0.00 N ATOM 0 H ASN B 52 -15.318 -2.831 8.706 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.287 -3.616 11.240 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -14.496 -1.290 10.233 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -16.233 -1.403 10.434 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -15.725 0.264 13.536 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -16.347 0.379 11.887 1.00 0.00 H new