USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 672 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 LYS NZ :NH3+ -140:sc= -0.0639 (180deg=-1.44) USER MOD Set 1.2: A 71 MET CE :methyl -161:sc= -2.51 (180deg=-4.29!) USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 45 LYS NZ :NH3+ -109:sc= -0.0365 (180deg=-1.5!) USER MOD Single : A 20 SER OG : rot -31:sc= 0.243 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 28 LYS NZ :NH3+ 151:sc= 0.395 (180deg=-0.282) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -127:sc= 0.0137 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.8!) USER MOD Single : A 42 LYS NZ :NH3+ -142:sc= -0.265 (180deg=-0.905) USER MOD Single : A 49 ASN : amide:sc= -0.0141 K(o=-0.014,f=-0.85) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -2.65 F(o=-4,f=-2.6) USER MOD Single : A 58 SER OG : rot 68:sc= 0.683 USER MOD Single : A 63 MET CE :methyl 165:sc= -2.54 (180deg=-3.72!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 70:sc= -1.31! USER MOD Single : A 70 MET CE :methyl -173:sc= 0 (180deg=-0.102) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.16) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 93:sc= 1.2 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -2.48 K(o=-2.5,f=-9.5!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -117:sc= 1.18 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 20 -4.094 -18.185 3.658 1.00 0.00 N ATOM 47 CA SER A 20 -3.154 -17.070 3.612 1.00 0.00 C ATOM 48 C SER A 20 -3.733 -15.894 2.831 1.00 0.00 C ATOM 49 O SER A 20 -3.345 -14.745 3.043 1.00 0.00 O ATOM 50 CB SER A 20 -1.835 -17.516 2.980 1.00 0.00 C ATOM 51 OG SER A 20 -2.061 -18.226 1.773 1.00 0.00 O ATOM 0 HA SER A 20 -2.970 -16.743 4.635 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.210 -16.645 2.782 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.288 -18.148 3.680 1.00 0.00 H new ATOM 0 HG SER A 20 -2.917 -18.700 1.827 1.00 0.00 H new ATOM 57 N LEU A 21 -4.663 -16.188 1.926 1.00 0.00 N ATOM 58 CA LEU A 21 -5.295 -15.154 1.112 1.00 0.00 C ATOM 59 C LEU A 21 -5.903 -14.061 1.985 1.00 0.00 C ATOM 60 O LEU A 21 -5.936 -12.891 1.601 1.00 0.00 O ATOM 61 CB LEU A 21 -6.377 -15.770 0.225 1.00 0.00 C ATOM 62 CG LEU A 21 -5.860 -16.518 -1.006 1.00 0.00 C ATOM 63 CD1 LEU A 21 -6.668 -17.786 -1.240 1.00 0.00 C ATOM 64 CD2 LEU A 21 -5.907 -15.621 -2.233 1.00 0.00 C ATOM 0 H LEU A 21 -4.995 -17.134 1.738 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.526 -14.703 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.970 -16.459 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.048 -14.977 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.823 -16.801 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.286 -18.304 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.583 -18.437 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.715 -17.526 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.536 -16.169 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.935 -15.308 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.284 -14.742 -2.065 1.00 0.00 H new ATOM 76 N VAL A 22 -6.385 -14.450 3.160 1.00 0.00 N ATOM 77 CA VAL A 22 -6.996 -13.505 4.087 1.00 0.00 C ATOM 78 C VAL A 22 -5.985 -12.470 4.575 1.00 0.00 C ATOM 79 O VAL A 22 -6.270 -11.273 4.594 1.00 0.00 O ATOM 80 CB VAL A 22 -7.609 -14.228 5.302 1.00 0.00 C ATOM 81 CG1 VAL A 22 -6.538 -14.985 6.070 1.00 0.00 C ATOM 82 CG2 VAL A 22 -8.330 -13.240 6.205 1.00 0.00 C ATOM 0 H VAL A 22 -6.364 -15.414 3.493 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.789 -12.995 3.539 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.340 -14.951 4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.990 -15.489 6.924 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.075 -15.724 5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.779 -14.286 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.756 -13.770 7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.624 -12.490 6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.128 -12.751 5.646 1.00 0.00 H new ATOM 92 N LYS A 23 -4.803 -12.937 4.969 1.00 0.00 N ATOM 93 CA LYS A 23 -3.754 -12.045 5.455 1.00 0.00 C ATOM 94 C LYS A 23 -3.422 -10.986 4.411 1.00 0.00 C ATOM 95 O LYS A 23 -3.401 -9.788 4.705 1.00 0.00 O ATOM 96 CB LYS A 23 -2.498 -12.843 5.811 1.00 0.00 C ATOM 97 CG LYS A 23 -2.696 -13.795 6.980 1.00 0.00 C ATOM 98 CD LYS A 23 -1.367 -14.227 7.577 1.00 0.00 C ATOM 99 CE LYS A 23 -1.564 -15.207 8.723 1.00 0.00 C ATOM 100 NZ LYS A 23 -1.928 -14.514 9.989 1.00 0.00 N ATOM 0 H LYS A 23 -4.548 -13.925 4.961 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.120 -11.545 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.180 -13.413 4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.692 -12.149 6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.300 -13.311 7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.249 -14.673 6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.752 -14.688 6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.826 -13.351 7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.346 -15.919 8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.649 -15.780 8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.053 -15.216 10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.170 -13.852 10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.815 -13.988 9.854 1.00 0.00 H new ATOM 114 N VAL A 24 -3.176 -11.436 3.187 1.00 0.00 N ATOM 115 CA VAL A 24 -2.856 -10.529 2.091 1.00 0.00 C ATOM 116 C VAL A 24 -3.974 -9.506 1.913 1.00 0.00 C ATOM 117 O VAL A 24 -3.721 -8.324 1.678 1.00 0.00 O ATOM 118 CB VAL A 24 -2.639 -11.285 0.764 1.00 0.00 C ATOM 119 CG1 VAL A 24 -1.921 -10.400 -0.245 1.00 0.00 C ATOM 120 CG2 VAL A 24 -1.862 -12.574 0.998 1.00 0.00 C ATOM 0 H VAL A 24 -3.192 -12.422 2.928 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.926 -10.023 2.349 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.616 -11.547 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.777 -10.951 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.520 -9.510 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.951 -10.104 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.720 -13.091 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.890 -12.339 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.419 -13.216 1.681 1.00 0.00 H new ATOM 130 N GLY A 25 -5.213 -9.972 2.047 1.00 0.00 N ATOM 131 CA GLY A 25 -6.352 -9.086 1.919 1.00 0.00 C ATOM 132 C GLY A 25 -6.379 -8.050 3.023 1.00 0.00 C ATOM 133 O GLY A 25 -6.735 -6.895 2.793 1.00 0.00 O ATOM 0 H GLY A 25 -5.446 -10.946 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.318 -8.586 0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.272 -9.670 1.944 1.00 0.00 H new ATOM 137 N THR A 26 -5.983 -8.467 4.224 1.00 0.00 N ATOM 138 CA THR A 26 -5.943 -7.567 5.369 1.00 0.00 C ATOM 139 C THR A 26 -5.056 -6.368 5.061 1.00 0.00 C ATOM 140 O THR A 26 -5.438 -5.219 5.289 1.00 0.00 O ATOM 141 CB THR A 26 -5.424 -8.304 6.605 1.00 0.00 C ATOM 142 OG1 THR A 26 -5.824 -9.661 6.585 1.00 0.00 O ATOM 143 CG2 THR A 26 -5.904 -7.702 7.909 1.00 0.00 C ATOM 0 H THR A 26 -5.686 -9.422 4.427 1.00 0.00 H new ATOM 0 HA THR A 26 -6.954 -7.214 5.573 1.00 0.00 H new ATOM 0 HB THR A 26 -4.339 -8.212 6.560 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.481 -10.115 7.383 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.499 -8.273 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.566 -6.668 7.979 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.993 -7.731 7.944 1.00 0.00 H new ATOM 151 N LEU A 27 -3.873 -6.644 4.521 1.00 0.00 N ATOM 152 CA LEU A 27 -2.944 -5.582 4.162 1.00 0.00 C ATOM 153 C LEU A 27 -3.571 -4.683 3.110 1.00 0.00 C ATOM 154 O LEU A 27 -3.422 -3.462 3.154 1.00 0.00 O ATOM 155 CB LEU A 27 -1.628 -6.167 3.647 1.00 0.00 C ATOM 156 CG LEU A 27 -0.432 -5.215 3.694 1.00 0.00 C ATOM 157 CD1 LEU A 27 0.848 -5.976 3.997 1.00 0.00 C ATOM 158 CD2 LEU A 27 -0.305 -4.456 2.381 1.00 0.00 C ATOM 0 H LEU A 27 -3.538 -7.587 4.324 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.728 -4.991 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.389 -7.055 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.772 -6.494 2.617 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.598 -4.494 4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.687 -5.280 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.756 -6.473 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.021 -6.721 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.551 -3.783 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.163 -5.163 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.212 -3.877 2.206 1.00 0.00 H new ATOM 170 N LYS A 28 -4.300 -5.290 2.175 1.00 0.00 N ATOM 171 CA LYS A 28 -4.975 -4.529 1.133 1.00 0.00 C ATOM 172 C LYS A 28 -5.863 -3.475 1.779 1.00 0.00 C ATOM 173 O LYS A 28 -5.963 -2.343 1.301 1.00 0.00 O ATOM 174 CB LYS A 28 -5.811 -5.452 0.245 1.00 0.00 C ATOM 175 CG LYS A 28 -6.215 -4.819 -1.076 1.00 0.00 C ATOM 176 CD LYS A 28 -6.346 -5.863 -2.176 1.00 0.00 C ATOM 177 CE LYS A 28 -7.421 -5.480 -3.180 1.00 0.00 C ATOM 178 NZ LYS A 28 -7.016 -5.803 -4.576 1.00 0.00 N ATOM 0 H LYS A 28 -4.436 -6.299 2.120 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.228 -4.043 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.245 -6.362 0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.709 -5.749 0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.163 -4.295 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.474 -4.074 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.391 -5.975 -2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.586 -6.830 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.346 -6.004 -2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.629 -4.413 -3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.863 -6.002 -5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.506 -4.994 -4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.396 -6.638 -4.573 1.00 0.00 H new ATOM 192 N LYS A 29 -6.483 -3.854 2.894 1.00 0.00 N ATOM 193 CA LYS A 29 -7.338 -2.942 3.637 1.00 0.00 C ATOM 194 C LYS A 29 -6.497 -1.801 4.190 1.00 0.00 C ATOM 195 O LYS A 29 -6.897 -0.638 4.139 1.00 0.00 O ATOM 196 CB LYS A 29 -8.051 -3.678 4.775 1.00 0.00 C ATOM 197 CG LYS A 29 -9.503 -4.010 4.466 1.00 0.00 C ATOM 198 CD LYS A 29 -9.690 -5.495 4.200 1.00 0.00 C ATOM 199 CE LYS A 29 -11.146 -5.909 4.349 1.00 0.00 C ATOM 200 NZ LYS A 29 -11.514 -6.139 5.774 1.00 0.00 N ATOM 0 H LYS A 29 -6.407 -4.787 3.300 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.098 -2.539 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.514 -4.601 4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.010 -3.065 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.133 -3.707 5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.831 -3.439 3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.344 -5.732 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.075 -6.070 4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.788 -5.135 3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.325 -6.819 3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.514 -6.419 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.918 -6.895 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.367 -5.264 6.316 1.00 0.00 H new ATOM 214 N ARG A 30 -5.312 -2.140 4.701 1.00 0.00 N ATOM 215 CA ARG A 30 -4.405 -1.134 5.237 1.00 0.00 C ATOM 216 C ARG A 30 -3.974 -0.183 4.126 1.00 0.00 C ATOM 217 O ARG A 30 -3.715 0.997 4.365 1.00 0.00 O ATOM 218 CB ARG A 30 -3.182 -1.799 5.871 1.00 0.00 C ATOM 219 CG ARG A 30 -3.471 -2.437 7.221 1.00 0.00 C ATOM 220 CD ARG A 30 -2.430 -2.051 8.260 1.00 0.00 C ATOM 221 NE ARG A 30 -3.040 -1.679 9.534 1.00 0.00 N ATOM 222 CZ ARG A 30 -3.721 -2.523 10.305 1.00 0.00 C ATOM 223 NH1 ARG A 30 -3.878 -3.789 9.937 1.00 0.00 N ATOM 224 NH2 ARG A 30 -4.247 -2.101 11.446 1.00 0.00 N ATOM 0 H ARG A 30 -4.963 -3.097 4.753 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.925 -0.567 6.009 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.800 -2.561 5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.395 -1.055 5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.459 -2.130 7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.493 -3.521 7.114 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.746 -2.886 8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.836 -1.217 7.886 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.938 -0.715 9.851 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.476 -4.119 9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.401 -4.432 10.532 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.130 -1.129 11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.769 -2.748 12.037 1.00 0.00 H new ATOM 238 N LEU A 31 -3.915 -0.708 2.904 1.00 0.00 N ATOM 239 CA LEU A 31 -3.533 0.087 1.745 1.00 0.00 C ATOM 240 C LEU A 31 -4.546 1.202 1.518 1.00 0.00 C ATOM 241 O LEU A 31 -4.186 2.375 1.416 1.00 0.00 O ATOM 242 CB LEU A 31 -3.441 -0.797 0.501 1.00 0.00 C ATOM 243 CG LEU A 31 -2.322 -0.426 -0.477 1.00 0.00 C ATOM 244 CD1 LEU A 31 -1.582 -1.671 -0.939 1.00 0.00 C ATOM 245 CD2 LEU A 31 -2.885 0.335 -1.667 1.00 0.00 C ATOM 0 H LEU A 31 -4.128 -1.683 2.693 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.555 0.529 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.298 -1.830 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.393 -0.755 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.613 0.221 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.791 -1.387 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.145 -2.175 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.279 -2.344 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.076 0.590 -2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.615 -0.287 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.368 1.248 -1.319 1.00 0.00 H new ATOM 257 N ASP A 32 -5.821 0.825 1.451 1.00 0.00 N ATOM 258 CA ASP A 32 -6.892 1.794 1.248 1.00 0.00 C ATOM 259 C ASP A 32 -6.868 2.840 2.356 1.00 0.00 C ATOM 260 O ASP A 32 -7.134 4.020 2.120 1.00 0.00 O ATOM 261 CB ASP A 32 -8.249 1.090 1.222 1.00 0.00 C ATOM 262 CG ASP A 32 -8.475 0.314 -0.061 1.00 0.00 C ATOM 263 OD1 ASP A 32 -8.998 0.906 -1.028 1.00 0.00 O ATOM 264 OD2 ASP A 32 -8.126 -0.886 -0.099 1.00 0.00 O ATOM 0 H ASP A 32 -6.136 -0.142 1.534 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.737 2.289 0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.319 0.410 2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.041 1.830 1.340 1.00 0.00 H new ATOM 269 N LYS A 33 -6.531 2.398 3.564 1.00 0.00 N ATOM 270 CA LYS A 33 -6.453 3.292 4.713 1.00 0.00 C ATOM 271 C LYS A 33 -5.439 4.401 4.451 1.00 0.00 C ATOM 272 O LYS A 33 -5.698 5.574 4.722 1.00 0.00 O ATOM 273 CB LYS A 33 -6.066 2.506 5.969 1.00 0.00 C ATOM 274 CG LYS A 33 -5.819 3.378 7.189 1.00 0.00 C ATOM 275 CD LYS A 33 -7.112 3.980 7.718 1.00 0.00 C ATOM 276 CE LYS A 33 -7.262 5.434 7.302 1.00 0.00 C ATOM 277 NZ LYS A 33 -8.455 6.070 7.927 1.00 0.00 N ATOM 0 H LYS A 33 -6.307 1.425 3.772 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.432 3.745 4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.858 1.793 6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.167 1.927 5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.346 2.784 7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.124 4.177 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.960 3.405 7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.130 3.908 8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.366 5.987 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.345 5.494 6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.043 6.505 7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.009 5.348 8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.146 6.801 8.599 1.00 0.00 H new ATOM 291 N PHE A 34 -4.285 4.020 3.911 1.00 0.00 N ATOM 292 CA PHE A 34 -3.235 4.981 3.601 1.00 0.00 C ATOM 293 C PHE A 34 -3.733 6.000 2.582 1.00 0.00 C ATOM 294 O PHE A 34 -3.493 7.199 2.720 1.00 0.00 O ATOM 295 CB PHE A 34 -1.994 4.263 3.063 1.00 0.00 C ATOM 296 CG PHE A 34 -1.530 3.129 3.932 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.534 3.249 5.314 1.00 0.00 C ATOM 298 CD2 PHE A 34 -1.085 1.944 3.369 1.00 0.00 C ATOM 299 CE1 PHE A 34 -1.108 2.207 6.115 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.656 0.899 4.165 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.668 1.030 5.539 1.00 0.00 C ATOM 0 H PHE A 34 -4.055 3.054 3.680 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.966 5.504 4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.210 3.880 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.184 4.985 2.959 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.874 4.168 5.769 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.073 1.836 2.295 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.119 2.312 7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.312 -0.019 3.712 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.334 0.214 6.163 1.00 0.00 H new ATOM 311 N ASN A 35 -4.436 5.514 1.562 1.00 0.00 N ATOM 312 CA ASN A 35 -4.978 6.379 0.521 1.00 0.00 C ATOM 313 C ASN A 35 -5.823 7.490 1.135 1.00 0.00 C ATOM 314 O ASN A 35 -5.708 8.655 0.753 1.00 0.00 O ATOM 315 CB ASN A 35 -5.820 5.565 -0.463 1.00 0.00 C ATOM 316 CG ASN A 35 -5.046 5.185 -1.711 1.00 0.00 C ATOM 317 OD1 ASN A 35 -4.171 5.924 -2.162 1.00 0.00 O ATOM 318 ND2 ASN A 35 -5.365 4.025 -2.275 1.00 0.00 N ATOM 0 H ASN A 35 -4.643 4.523 1.435 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.145 6.830 -0.017 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.176 4.660 0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.701 6.141 -0.747 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.878 3.716 -3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.097 3.444 -1.867 1.00 0.00 H new ATOM 325 N GLU A 36 -6.668 7.123 2.095 1.00 0.00 N ATOM 326 CA GLU A 36 -7.525 8.091 2.769 1.00 0.00 C ATOM 327 C GLU A 36 -6.684 9.166 3.445 1.00 0.00 C ATOM 328 O GLU A 36 -6.866 10.361 3.204 1.00 0.00 O ATOM 329 CB GLU A 36 -8.410 7.392 3.803 1.00 0.00 C ATOM 330 CG GLU A 36 -9.374 8.330 4.512 1.00 0.00 C ATOM 331 CD GLU A 36 -10.581 7.607 5.075 1.00 0.00 C ATOM 332 OE1 GLU A 36 -11.278 6.921 4.298 1.00 0.00 O ATOM 333 OE2 GLU A 36 -10.829 7.727 6.293 1.00 0.00 O ATOM 0 H GLU A 36 -6.777 6.163 2.423 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.163 8.563 2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.979 6.605 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.775 6.908 4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.851 8.840 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.708 9.098 3.814 1.00 0.00 H new ATOM 340 N VAL A 37 -5.751 8.729 4.283 1.00 0.00 N ATOM 341 CA VAL A 37 -4.865 9.647 4.986 1.00 0.00 C ATOM 342 C VAL A 37 -4.129 10.541 3.996 1.00 0.00 C ATOM 343 O VAL A 37 -3.916 11.727 4.250 1.00 0.00 O ATOM 344 CB VAL A 37 -3.836 8.890 5.846 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.043 9.859 6.709 1.00 0.00 C ATOM 346 CG2 VAL A 37 -4.523 7.839 6.703 1.00 0.00 C ATOM 0 H VAL A 37 -5.589 7.744 4.492 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.485 10.258 5.642 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.140 8.381 5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.321 9.305 7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.516 10.568 6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.723 10.400 7.367 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.779 7.315 7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.245 8.322 7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.038 7.125 6.060 1.00 0.00 H new ATOM 356 N VAL A 38 -3.750 9.961 2.861 1.00 0.00 N ATOM 357 CA VAL A 38 -3.049 10.698 1.820 1.00 0.00 C ATOM 358 C VAL A 38 -3.979 11.707 1.158 1.00 0.00 C ATOM 359 O VAL A 38 -3.586 12.838 0.879 1.00 0.00 O ATOM 360 CB VAL A 38 -2.475 9.746 0.749 1.00 0.00 C ATOM 361 CG1 VAL A 38 -1.689 10.519 -0.301 1.00 0.00 C ATOM 362 CG2 VAL A 38 -1.602 8.682 1.398 1.00 0.00 C ATOM 0 H VAL A 38 -3.918 8.979 2.640 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.222 11.227 2.294 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.308 9.252 0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.295 9.826 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.345 11.240 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.863 11.046 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.205 8.019 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.777 9.160 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.198 8.104 2.104 1.00 0.00 H new ATOM 372 N SER A 39 -5.218 11.294 0.922 1.00 0.00 N ATOM 373 CA SER A 39 -6.205 12.172 0.310 1.00 0.00 C ATOM 374 C SER A 39 -6.491 13.363 1.219 1.00 0.00 C ATOM 375 O SER A 39 -6.939 14.414 0.760 1.00 0.00 O ATOM 376 CB SER A 39 -7.498 11.405 0.028 1.00 0.00 C ATOM 377 OG SER A 39 -8.456 12.236 -0.605 1.00 0.00 O ATOM 0 H SER A 39 -5.562 10.360 1.144 1.00 0.00 H new ATOM 0 HA SER A 39 -5.802 12.539 -0.634 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.283 10.544 -0.605 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.907 11.019 0.962 1.00 0.00 H new ATOM 0 HG SER A 39 -9.273 11.722 -0.776 1.00 0.00 H new ATOM 383 N ALA A 40 -6.230 13.189 2.513 1.00 0.00 N ATOM 384 CA ALA A 40 -6.457 14.245 3.489 1.00 0.00 C ATOM 385 C ALA A 40 -5.558 15.451 3.230 1.00 0.00 C ATOM 386 O ALA A 40 -5.985 16.595 3.386 1.00 0.00 O ATOM 387 CB ALA A 40 -6.237 13.715 4.898 1.00 0.00 C ATOM 0 H ALA A 40 -5.861 12.324 2.907 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.491 14.575 3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.410 14.514 5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.930 12.896 5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.213 13.354 4.995 1.00 0.00 H new ATOM 393 N LEU A 41 -4.314 15.193 2.839 1.00 0.00 N ATOM 394 CA LEU A 41 -3.368 16.272 2.567 1.00 0.00 C ATOM 395 C LEU A 41 -3.452 16.727 1.113 1.00 0.00 C ATOM 396 O LEU A 41 -3.275 17.908 0.813 1.00 0.00 O ATOM 397 CB LEU A 41 -1.938 15.835 2.899 1.00 0.00 C ATOM 398 CG LEU A 41 -1.444 14.596 2.150 1.00 0.00 C ATOM 399 CD1 LEU A 41 -0.051 14.830 1.590 1.00 0.00 C ATOM 400 CD2 LEU A 41 -1.456 13.383 3.066 1.00 0.00 C ATOM 0 H LEU A 41 -3.939 14.254 2.704 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.636 17.114 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.263 16.663 2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.874 15.642 3.970 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.119 14.405 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.283 13.938 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.073 15.674 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.638 15.047 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.102 12.510 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.803 13.565 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.472 13.203 3.418 1.00 0.00 H new ATOM 412 N LYS A 42 -3.724 15.785 0.214 1.00 0.00 N ATOM 413 CA LYS A 42 -3.837 16.088 -1.213 1.00 0.00 C ATOM 414 C LYS A 42 -2.501 16.540 -1.804 1.00 0.00 C ATOM 415 O LYS A 42 -2.450 17.011 -2.942 1.00 0.00 O ATOM 416 CB LYS A 42 -4.886 17.173 -1.445 1.00 0.00 C ATOM 417 CG LYS A 42 -6.276 16.796 -0.957 1.00 0.00 C ATOM 418 CD LYS A 42 -6.541 17.342 0.438 1.00 0.00 C ATOM 419 CE LYS A 42 -8.014 17.239 0.806 1.00 0.00 C ATOM 420 NZ LYS A 42 -8.889 17.872 -0.219 1.00 0.00 N ATOM 0 H LYS A 42 -3.871 14.803 0.447 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.140 15.169 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.569 18.086 -0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.934 17.398 -2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.024 17.183 -1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.379 15.711 -0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.944 16.792 1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.224 18.384 0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.287 16.190 0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.181 17.717 1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.680 18.357 0.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.337 18.562 -0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.262 17.140 -0.857 1.00 0.00 H new ATOM 434 N ASP A 43 -1.427 16.400 -1.038 1.00 0.00 N ATOM 435 CA ASP A 43 -0.102 16.800 -1.501 1.00 0.00 C ATOM 436 C ASP A 43 0.731 15.585 -1.895 1.00 0.00 C ATOM 437 O ASP A 43 1.248 14.870 -1.036 1.00 0.00 O ATOM 438 CB ASP A 43 0.621 17.600 -0.416 1.00 0.00 C ATOM 439 CG ASP A 43 1.444 18.737 -0.988 1.00 0.00 C ATOM 440 OD1 ASP A 43 1.777 18.684 -2.191 1.00 0.00 O ATOM 441 OD2 ASP A 43 1.754 19.685 -0.234 1.00 0.00 O ATOM 0 H ASP A 43 -1.446 16.013 -0.094 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.229 17.429 -2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.111 18.002 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.271 16.933 0.150 1.00 0.00 H new ATOM 446 N GLY A 44 0.858 15.358 -3.198 1.00 0.00 N ATOM 447 CA GLY A 44 1.629 14.229 -3.685 1.00 0.00 C ATOM 448 C GLY A 44 0.754 13.066 -4.108 1.00 0.00 C ATOM 449 O GLY A 44 0.936 11.942 -3.642 1.00 0.00 O ATOM 0 H GLY A 44 0.440 15.937 -3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.238 14.547 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.315 13.898 -2.905 1.00 0.00 H new ATOM 453 N LYS A 45 -0.202 13.339 -4.987 1.00 0.00 N ATOM 454 CA LYS A 45 -1.116 12.310 -5.472 1.00 0.00 C ATOM 455 C LYS A 45 -0.388 11.261 -6.315 1.00 0.00 C ATOM 456 O LYS A 45 -0.442 10.069 -6.012 1.00 0.00 O ATOM 457 CB LYS A 45 -2.241 12.945 -6.290 1.00 0.00 C ATOM 458 CG LYS A 45 -3.457 13.323 -5.461 1.00 0.00 C ATOM 459 CD LYS A 45 -4.143 12.094 -4.885 1.00 0.00 C ATOM 460 CE LYS A 45 -4.594 12.328 -3.451 1.00 0.00 C ATOM 461 NZ LYS A 45 -5.929 11.722 -3.182 1.00 0.00 N ATOM 0 H LYS A 45 -0.366 14.266 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.539 11.808 -4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.859 13.837 -6.787 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.547 12.250 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.154 13.985 -4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.162 13.878 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.004 11.835 -5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.460 11.245 -4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.859 11.906 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.635 13.399 -3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.638 12.476 -3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.196 11.104 -3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.886 11.162 -2.307 1.00 0.00 H new ATOM 475 N PRO A 46 0.294 11.684 -7.397 1.00 0.00 N ATOM 476 CA PRO A 46 1.017 10.762 -8.284 1.00 0.00 C ATOM 477 C PRO A 46 2.057 9.921 -7.549 1.00 0.00 C ATOM 478 O PRO A 46 2.101 8.702 -7.706 1.00 0.00 O ATOM 479 CB PRO A 46 1.696 11.685 -9.306 1.00 0.00 C ATOM 480 CG PRO A 46 1.643 13.049 -8.706 1.00 0.00 C ATOM 481 CD PRO A 46 0.409 13.078 -7.853 1.00 0.00 C ATOM 0 HA PRO A 46 0.340 10.036 -8.734 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.725 11.377 -9.490 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.178 11.657 -10.265 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.534 13.248 -8.110 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.600 13.815 -9.481 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.512 13.770 -7.017 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.467 13.391 -8.420 1.00 0.00 H new ATOM 489 N GLU A 47 2.897 10.574 -6.751 1.00 0.00 N ATOM 490 CA GLU A 47 3.936 9.869 -6.004 1.00 0.00 C ATOM 491 C GLU A 47 3.338 8.774 -5.126 1.00 0.00 C ATOM 492 O GLU A 47 3.784 7.626 -5.157 1.00 0.00 O ATOM 493 CB GLU A 47 4.749 10.846 -5.144 1.00 0.00 C ATOM 494 CG GLU A 47 3.912 11.925 -4.476 1.00 0.00 C ATOM 495 CD GLU A 47 4.338 13.324 -4.882 1.00 0.00 C ATOM 496 OE1 GLU A 47 3.828 13.827 -5.905 1.00 0.00 O ATOM 497 OE2 GLU A 47 5.184 13.915 -4.178 1.00 0.00 O ATOM 0 H GLU A 47 2.880 11.583 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 47 4.602 9.403 -6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.279 10.283 -4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.505 11.322 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.863 11.779 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.991 11.824 -3.394 1.00 0.00 H new ATOM 504 N VAL A 48 2.324 9.133 -4.352 1.00 0.00 N ATOM 505 CA VAL A 48 1.663 8.178 -3.473 1.00 0.00 C ATOM 506 C VAL A 48 0.973 7.089 -4.283 1.00 0.00 C ATOM 507 O VAL A 48 1.231 5.906 -4.092 1.00 0.00 O ATOM 508 CB VAL A 48 0.629 8.868 -2.560 1.00 0.00 C ATOM 509 CG1 VAL A 48 -0.007 7.865 -1.611 1.00 0.00 C ATOM 510 CG2 VAL A 48 1.281 10.003 -1.783 1.00 0.00 C ATOM 0 H VAL A 48 1.941 10.078 -4.314 1.00 0.00 H new ATOM 0 HA VAL A 48 2.435 7.731 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.158 9.286 -3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.733 8.374 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.510 7.088 -2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.765 7.413 -0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.538 10.480 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.088 9.606 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.684 10.737 -2.481 1.00 0.00 H new ATOM 520 N ASN A 49 0.099 7.493 -5.194 1.00 0.00 N ATOM 521 CA ASN A 49 -0.617 6.538 -6.030 1.00 0.00 C ATOM 522 C ASN A 49 0.354 5.624 -6.776 1.00 0.00 C ATOM 523 O ASN A 49 0.005 4.506 -7.147 1.00 0.00 O ATOM 524 CB ASN A 49 -1.515 7.271 -7.027 1.00 0.00 C ATOM 525 CG ASN A 49 -2.731 7.889 -6.365 1.00 0.00 C ATOM 526 OD1 ASN A 49 -3.310 7.312 -5.443 1.00 0.00 O ATOM 527 ND2 ASN A 49 -3.126 9.066 -6.832 1.00 0.00 N ATOM 0 H ASN A 49 -0.131 8.470 -5.373 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.237 5.921 -5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.939 8.052 -7.524 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.840 6.574 -7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.939 9.529 -6.426 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.617 9.508 -7.597 1.00 0.00 H new ATOM 534 N ARG A 50 1.572 6.110 -6.998 1.00 0.00 N ATOM 535 CA ARG A 50 2.587 5.337 -7.708 1.00 0.00 C ATOM 536 C ARG A 50 3.121 4.191 -6.852 1.00 0.00 C ATOM 537 O ARG A 50 3.183 3.043 -7.299 1.00 0.00 O ATOM 538 CB ARG A 50 3.739 6.249 -8.135 1.00 0.00 C ATOM 539 CG ARG A 50 4.787 5.548 -8.986 1.00 0.00 C ATOM 540 CD ARG A 50 4.976 6.242 -10.326 1.00 0.00 C ATOM 541 NE ARG A 50 3.704 6.488 -11.000 1.00 0.00 N ATOM 542 CZ ARG A 50 3.033 5.560 -11.678 1.00 0.00 C ATOM 543 NH1 ARG A 50 3.507 4.325 -11.774 1.00 0.00 N ATOM 544 NH2 ARG A 50 1.882 5.869 -12.262 1.00 0.00 N ATOM 0 H ARG A 50 1.880 7.035 -6.697 1.00 0.00 H new ATOM 0 HA ARG A 50 2.118 4.905 -8.592 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.335 7.093 -8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.219 6.656 -7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.736 5.526 -8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.489 4.512 -9.151 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.494 7.189 -10.174 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.612 5.629 -10.965 1.00 0.00 H new ATOM 0 HE ARG A 50 3.307 7.426 -10.948 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.391 4.082 -11.327 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.988 3.618 -12.295 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.512 6.817 -12.191 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.367 5.158 -12.782 1.00 0.00 H new ATOM 558 N GLN A 51 3.499 4.505 -5.618 1.00 0.00 N ATOM 559 CA GLN A 51 4.023 3.495 -4.704 1.00 0.00 C ATOM 560 C GLN A 51 2.883 2.657 -4.158 1.00 0.00 C ATOM 561 O GLN A 51 2.955 1.429 -4.106 1.00 0.00 O ATOM 562 CB GLN A 51 4.789 4.157 -3.556 1.00 0.00 C ATOM 563 CG GLN A 51 6.230 4.497 -3.901 1.00 0.00 C ATOM 564 CD GLN A 51 6.855 5.459 -2.910 1.00 0.00 C ATOM 565 OE1 GLN A 51 7.231 5.073 -1.803 1.00 0.00 O ATOM 566 NE2 GLN A 51 6.970 6.722 -3.303 1.00 0.00 N ATOM 0 H GLN A 51 3.453 5.446 -5.228 1.00 0.00 H new ATOM 0 HA GLN A 51 4.711 2.850 -5.250 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.270 5.069 -3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.778 3.492 -2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.818 3.580 -3.932 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.268 4.934 -4.899 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.645 6.999 -4.229 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.383 7.415 -2.679 1.00 0.00 H new ATOM 575 N ILE A 52 1.821 3.344 -3.773 1.00 0.00 N ATOM 576 CA ILE A 52 0.637 2.700 -3.246 1.00 0.00 C ATOM 577 C ILE A 52 0.080 1.700 -4.260 1.00 0.00 C ATOM 578 O ILE A 52 -0.428 0.643 -3.888 1.00 0.00 O ATOM 579 CB ILE A 52 -0.433 3.757 -2.898 1.00 0.00 C ATOM 580 CG1 ILE A 52 0.065 4.645 -1.747 1.00 0.00 C ATOM 581 CG2 ILE A 52 -1.750 3.091 -2.544 1.00 0.00 C ATOM 582 CD1 ILE A 52 -1.030 5.162 -0.834 1.00 0.00 C ATOM 0 H ILE A 52 1.758 4.361 -3.818 1.00 0.00 H new ATOM 0 HA ILE A 52 0.908 2.161 -2.338 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.605 4.386 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.781 4.079 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.602 5.495 -2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.490 3.854 -2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.100 2.502 -3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.608 2.438 -1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.590 5.779 -0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.735 5.759 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.554 4.320 -0.381 1.00 0.00 H new ATOM 594 N LYS A 53 0.192 2.040 -5.542 1.00 0.00 N ATOM 595 CA LYS A 53 -0.285 1.168 -6.610 1.00 0.00 C ATOM 596 C LYS A 53 0.585 -0.078 -6.713 1.00 0.00 C ATOM 597 O LYS A 53 0.077 -1.198 -6.712 1.00 0.00 O ATOM 598 CB LYS A 53 -0.304 1.914 -7.948 1.00 0.00 C ATOM 599 CG LYS A 53 -0.738 1.051 -9.124 1.00 0.00 C ATOM 600 CD LYS A 53 -2.198 1.281 -9.481 1.00 0.00 C ATOM 601 CE LYS A 53 -3.052 0.067 -9.147 1.00 0.00 C ATOM 602 NZ LYS A 53 -4.376 0.117 -9.825 1.00 0.00 N ATOM 0 H LYS A 53 0.609 2.913 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.303 0.862 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.976 2.768 -7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.692 2.310 -8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.113 1.273 -9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.584 -0.000 -8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.573 2.150 -8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.283 1.505 -10.544 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.526 -0.840 -9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.198 0.012 -8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.928 -0.728 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.889 0.969 -9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.238 0.144 -10.855 1.00 0.00 H new ATOM 616 N ASN A 54 1.899 0.117 -6.803 1.00 0.00 N ATOM 617 CA ASN A 54 2.827 -1.010 -6.907 1.00 0.00 C ATOM 618 C ASN A 54 2.555 -2.029 -5.807 1.00 0.00 C ATOM 619 O ASN A 54 2.694 -3.235 -6.018 1.00 0.00 O ATOM 620 CB ASN A 54 4.278 -0.527 -6.818 1.00 0.00 C ATOM 621 CG ASN A 54 4.538 0.703 -7.666 1.00 0.00 C ATOM 622 OD1 ASN A 54 5.335 1.624 -7.138 1.00 0.00 O flip ATOM 623 ND2 ASN A 54 4.028 0.823 -8.780 1.00 0.00 N flip ATOM 0 H ASN A 54 2.343 1.035 -6.806 1.00 0.00 H new ATOM 0 HA ASN A 54 2.674 -1.485 -7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.520 -0.304 -5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.944 -1.329 -7.135 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.422 0.089 -9.145 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.212 1.657 -9.338 1.00 0.00 H new ATOM 630 N LEU A 55 2.154 -1.539 -4.640 1.00 0.00 N ATOM 631 CA LEU A 55 1.848 -2.415 -3.517 1.00 0.00 C ATOM 632 C LEU A 55 0.501 -3.089 -3.725 1.00 0.00 C ATOM 633 O LEU A 55 0.359 -4.293 -3.510 1.00 0.00 O ATOM 634 CB LEU A 55 1.858 -1.629 -2.204 1.00 0.00 C ATOM 635 CG LEU A 55 3.064 -0.707 -2.014 1.00 0.00 C ATOM 636 CD1 LEU A 55 2.656 0.567 -1.289 1.00 0.00 C ATOM 637 CD2 LEU A 55 4.166 -1.427 -1.251 1.00 0.00 C ATOM 0 H LEU A 55 2.034 -0.545 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 55 2.616 -3.186 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.949 -1.030 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.825 -2.335 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 55 3.446 -0.432 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.528 1.209 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.900 1.092 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.248 0.314 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.017 -0.758 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.793 -1.730 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.478 -2.310 -1.809 1.00 0.00 H new ATOM 649 N GLU A 56 -0.483 -2.315 -4.176 1.00 0.00 N ATOM 650 CA GLU A 56 -1.808 -2.860 -4.442 1.00 0.00 C ATOM 651 C GLU A 56 -1.683 -4.002 -5.442 1.00 0.00 C ATOM 652 O GLU A 56 -2.376 -5.014 -5.351 1.00 0.00 O ATOM 653 CB GLU A 56 -2.737 -1.773 -4.989 1.00 0.00 C ATOM 654 CG GLU A 56 -4.038 -1.640 -4.214 1.00 0.00 C ATOM 655 CD GLU A 56 -5.121 -2.564 -4.734 1.00 0.00 C ATOM 656 OE1 GLU A 56 -4.781 -3.652 -5.243 1.00 0.00 O ATOM 657 OE2 GLU A 56 -6.312 -2.200 -4.631 1.00 0.00 O ATOM 0 H GLU A 56 -0.388 -1.317 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.238 -3.234 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.214 -0.817 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.966 -1.993 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.854 -1.857 -3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.387 -0.609 -4.270 1.00 0.00 H new ATOM 664 N ILE A 57 -0.759 -3.826 -6.381 1.00 0.00 N ATOM 665 CA ILE A 57 -0.483 -4.826 -7.396 1.00 0.00 C ATOM 666 C ILE A 57 0.160 -6.048 -6.759 1.00 0.00 C ATOM 667 O ILE A 57 -0.162 -7.186 -7.102 1.00 0.00 O ATOM 668 CB ILE A 57 0.458 -4.260 -8.472 1.00 0.00 C ATOM 669 CG1 ILE A 57 -0.120 -2.968 -9.040 1.00 0.00 C ATOM 670 CG2 ILE A 57 0.697 -5.274 -9.577 1.00 0.00 C ATOM 671 CD1 ILE A 57 0.935 -1.989 -9.496 1.00 0.00 C ATOM 0 H ILE A 57 -0.184 -2.987 -6.456 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.426 -5.109 -7.863 1.00 0.00 H new ATOM 0 HB ILE A 57 1.421 -4.042 -8.010 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.770 -3.208 -9.881 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.743 -2.493 -8.282 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.366 -4.847 -10.324 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.150 -6.172 -9.156 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.253 -5.532 -10.046 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.454 -1.093 -9.889 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.571 -1.720 -8.652 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.543 -2.446 -10.277 1.00 0.00 H new ATOM 683 N SER A 58 1.068 -5.800 -5.818 1.00 0.00 N ATOM 684 CA SER A 58 1.754 -6.879 -5.117 1.00 0.00 C ATOM 685 C SER A 58 0.745 -7.798 -4.433 1.00 0.00 C ATOM 686 O SER A 58 0.839 -9.022 -4.528 1.00 0.00 O ATOM 687 CB SER A 58 2.727 -6.309 -4.084 1.00 0.00 C ATOM 688 OG SER A 58 3.536 -5.293 -4.650 1.00 0.00 O ATOM 0 H SER A 58 1.344 -4.863 -5.525 1.00 0.00 H new ATOM 0 HA SER A 58 2.317 -7.460 -5.848 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.169 -5.905 -3.239 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.359 -7.108 -3.696 1.00 0.00 H new ATOM 0 HG SER A 58 2.980 -4.516 -4.870 1.00 0.00 H new ATOM 694 N ILE A 59 -0.229 -7.195 -3.756 1.00 0.00 N ATOM 695 CA ILE A 59 -1.266 -7.955 -3.068 1.00 0.00 C ATOM 696 C ILE A 59 -2.043 -8.814 -4.061 1.00 0.00 C ATOM 697 O ILE A 59 -2.206 -10.022 -3.864 1.00 0.00 O ATOM 698 CB ILE A 59 -2.246 -7.022 -2.328 1.00 0.00 C ATOM 699 CG1 ILE A 59 -1.479 -6.052 -1.429 1.00 0.00 C ATOM 700 CG2 ILE A 59 -3.241 -7.833 -1.510 1.00 0.00 C ATOM 701 CD1 ILE A 59 -2.016 -4.638 -1.471 1.00 0.00 C ATOM 0 H ILE A 59 -0.321 -6.183 -3.670 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.773 -8.596 -2.337 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.800 -6.445 -3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.515 -6.415 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.431 -6.043 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.924 -7.158 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.808 -8.488 -2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.704 -8.435 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.425 -4.004 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.955 -4.256 -2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.056 -4.634 -1.143 1.00 0.00 H new ATOM 713 N ASP A 60 -2.506 -8.185 -5.138 1.00 0.00 N ATOM 714 CA ASP A 60 -3.250 -8.891 -6.172 1.00 0.00 C ATOM 715 C ASP A 60 -2.418 -10.044 -6.724 1.00 0.00 C ATOM 716 O ASP A 60 -2.953 -11.080 -7.122 1.00 0.00 O ATOM 717 CB ASP A 60 -3.630 -7.933 -7.304 1.00 0.00 C ATOM 718 CG ASP A 60 -4.691 -6.936 -6.885 1.00 0.00 C ATOM 719 OD1 ASP A 60 -5.610 -7.327 -6.133 1.00 0.00 O ATOM 720 OD2 ASP A 60 -4.606 -5.764 -7.309 1.00 0.00 O ATOM 0 H ASP A 60 -2.378 -7.189 -5.316 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.162 -9.291 -5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.741 -7.396 -7.636 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.992 -8.508 -8.157 1.00 0.00 H new ATOM 725 N ALA A 61 -1.102 -9.855 -6.734 1.00 0.00 N ATOM 726 CA ALA A 61 -0.188 -10.875 -7.223 1.00 0.00 C ATOM 727 C ALA A 61 -0.268 -12.128 -6.359 1.00 0.00 C ATOM 728 O ALA A 61 -0.402 -13.239 -6.873 1.00 0.00 O ATOM 729 CB ALA A 61 1.236 -10.339 -7.257 1.00 0.00 C ATOM 0 H ALA A 61 -0.647 -9.003 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.482 -11.142 -8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.908 -11.114 -7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.283 -9.474 -7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.538 -10.045 -6.252 1.00 0.00 H new ATOM 735 N LEU A 62 -0.185 -11.945 -5.042 1.00 0.00 N ATOM 736 CA LEU A 62 -0.249 -13.066 -4.119 1.00 0.00 C ATOM 737 C LEU A 62 -1.523 -13.869 -4.324 1.00 0.00 C ATOM 738 O LEU A 62 -1.462 -15.068 -4.589 1.00 0.00 O ATOM 739 CB LEU A 62 -0.184 -12.565 -2.676 1.00 0.00 C ATOM 740 CG LEU A 62 1.204 -12.117 -2.228 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.281 -10.599 -2.144 1.00 0.00 C ATOM 742 CD2 LEU A 62 1.566 -12.749 -0.891 1.00 0.00 C ATOM 0 H LEU A 62 -0.074 -11.034 -4.596 1.00 0.00 H new ATOM 0 HA LEU A 62 0.605 -13.714 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.876 -11.731 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.529 -13.358 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 62 1.927 -12.452 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.279 -10.303 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.073 -10.169 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.546 -10.237 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.559 -12.417 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.838 -12.448 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.560 -13.835 -0.988 1.00 0.00 H new ATOM 754 N MET A 63 -2.675 -13.205 -4.213 1.00 0.00 N ATOM 755 CA MET A 63 -3.965 -13.883 -4.391 1.00 0.00 C ATOM 756 C MET A 63 -3.947 -14.766 -5.635 1.00 0.00 C ATOM 757 O MET A 63 -4.296 -15.945 -5.574 1.00 0.00 O ATOM 758 CB MET A 63 -5.141 -12.891 -4.479 1.00 0.00 C ATOM 759 CG MET A 63 -4.760 -11.454 -4.808 1.00 0.00 C ATOM 760 SD MET A 63 -5.087 -10.310 -3.448 1.00 0.00 S ATOM 761 CE MET A 63 -4.633 -11.299 -2.023 1.00 0.00 C ATOM 0 H MET A 63 -2.744 -12.209 -4.003 1.00 0.00 H new ATOM 0 HA MET A 63 -4.115 -14.503 -3.507 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.838 -13.247 -5.237 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.673 -12.899 -3.528 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.701 -11.414 -5.063 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.313 -11.130 -5.690 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.527 -10.654 -1.151 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.409 -12.041 -1.833 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.687 -11.804 -2.217 1.00 0.00 H new ATOM 771 N ALA A 64 -3.531 -14.195 -6.758 1.00 0.00 N ATOM 772 CA ALA A 64 -3.462 -14.945 -8.005 1.00 0.00 C ATOM 773 C ALA A 64 -2.440 -16.075 -7.901 1.00 0.00 C ATOM 774 O ALA A 64 -2.532 -17.075 -8.612 1.00 0.00 O ATOM 775 CB ALA A 64 -3.112 -14.019 -9.160 1.00 0.00 C ATOM 0 H ALA A 64 -3.238 -13.221 -6.831 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.441 -15.386 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.064 -14.593 -10.085 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.876 -13.247 -9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.145 -13.552 -8.972 1.00 0.00 H new ATOM 781 N LYS A 65 -1.473 -15.913 -7.002 1.00 0.00 N ATOM 782 CA LYS A 65 -0.439 -16.917 -6.792 1.00 0.00 C ATOM 783 C LYS A 65 -0.942 -18.017 -5.869 1.00 0.00 C ATOM 784 O LYS A 65 -0.507 -19.165 -5.952 1.00 0.00 O ATOM 785 CB LYS A 65 0.819 -16.275 -6.204 1.00 0.00 C ATOM 786 CG LYS A 65 1.668 -15.548 -7.234 1.00 0.00 C ATOM 787 CD LYS A 65 2.451 -14.406 -6.603 1.00 0.00 C ATOM 788 CE LYS A 65 3.397 -14.907 -5.524 1.00 0.00 C ATOM 789 NZ LYS A 65 3.414 -14.005 -4.339 1.00 0.00 N ATOM 0 H LYS A 65 -1.386 -15.090 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.190 -17.357 -7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.527 -15.572 -5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.423 -17.048 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.359 -16.251 -7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.028 -15.158 -8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.020 -13.885 -7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.758 -13.682 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.097 -15.908 -5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.404 -14.988 -5.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.388 -13.913 -3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.054 -13.068 -4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.811 -14.403 -3.591 1.00 0.00 H new ATOM 803 N ILE A 66 -1.855 -17.653 -4.978 1.00 0.00 N ATOM 804 CA ILE A 66 -2.411 -18.603 -4.027 1.00 0.00 C ATOM 805 C ILE A 66 -3.369 -19.569 -4.710 1.00 0.00 C ATOM 806 O ILE A 66 -3.429 -20.749 -4.366 1.00 0.00 O ATOM 807 CB ILE A 66 -3.152 -17.904 -2.870 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.578 -16.515 -2.609 1.00 0.00 C ATOM 809 CG2 ILE A 66 -3.075 -18.753 -1.619 1.00 0.00 C ATOM 810 CD1 ILE A 66 -1.089 -16.499 -2.334 1.00 0.00 C ATOM 0 H ILE A 66 -2.225 -16.706 -4.895 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.564 -19.153 -3.617 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.197 -17.785 -3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.783 -15.882 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.098 -16.074 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.601 -18.252 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.537 -19.722 -1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.031 -18.897 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.762 -15.474 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.875 -17.103 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.556 -16.908 -3.192 1.00 0.00 H new ATOM 822 N LYS A 67 -4.126 -19.057 -5.675 1.00 0.00 N ATOM 823 CA LYS A 67 -5.094 -19.870 -6.402 1.00 0.00 C ATOM 824 C LYS A 67 -4.498 -20.434 -7.689 1.00 0.00 C ATOM 825 O LYS A 67 -4.923 -21.486 -8.167 1.00 0.00 O ATOM 826 CB LYS A 67 -6.339 -19.041 -6.725 1.00 0.00 C ATOM 827 CG LYS A 67 -6.949 -18.362 -5.510 1.00 0.00 C ATOM 828 CD LYS A 67 -8.100 -19.172 -4.939 1.00 0.00 C ATOM 829 CE LYS A 67 -9.387 -18.936 -5.713 1.00 0.00 C ATOM 830 NZ LYS A 67 -10.220 -20.166 -5.794 1.00 0.00 N ATOM 0 H LYS A 67 -4.088 -18.082 -5.972 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.371 -20.709 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.079 -18.282 -7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.087 -19.688 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.184 -18.226 -4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.303 -17.369 -5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.848 -20.232 -4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.250 -18.906 -3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.959 -18.142 -5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.147 -18.593 -6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.088 -19.963 -6.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.685 -20.917 -6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.471 -20.479 -4.835 1.00 0.00 H new ATOM 844 N SER A 68 -3.519 -19.733 -8.251 1.00 0.00 N ATOM 845 CA SER A 68 -2.883 -20.177 -9.487 1.00 0.00 C ATOM 846 C SER A 68 -1.491 -20.742 -9.225 1.00 0.00 C ATOM 847 O SER A 68 -0.639 -20.749 -10.112 1.00 0.00 O ATOM 848 CB SER A 68 -2.796 -19.024 -10.489 1.00 0.00 C ATOM 849 OG SER A 68 -2.836 -19.503 -11.821 1.00 0.00 O ATOM 0 H SER A 68 -3.150 -18.860 -7.873 1.00 0.00 H new ATOM 0 HA SER A 68 -3.500 -20.971 -9.908 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.621 -18.331 -10.323 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.874 -18.466 -10.327 1.00 0.00 H new ATOM 0 HG SER A 68 -2.780 -18.747 -12.442 1.00 0.00 H new ATOM 855 N THR A 69 -1.274 -21.221 -8.005 1.00 0.00 N ATOM 856 CA THR A 69 0.005 -21.797 -7.611 1.00 0.00 C ATOM 857 C THR A 69 0.011 -22.143 -6.126 1.00 0.00 C ATOM 858 O THR A 69 -0.732 -21.558 -5.339 1.00 0.00 O ATOM 859 CB THR A 69 1.147 -20.835 -7.929 1.00 0.00 C ATOM 860 OG1 THR A 69 0.675 -19.502 -8.019 1.00 0.00 O ATOM 861 CG2 THR A 69 1.838 -21.160 -9.229 1.00 0.00 C ATOM 0 H THR A 69 -1.976 -21.221 -7.265 1.00 0.00 H new ATOM 0 HA THR A 69 0.150 -22.715 -8.180 1.00 0.00 H new ATOM 0 HB THR A 69 1.858 -20.944 -7.110 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.418 -19.185 -7.128 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.641 -20.444 -9.403 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.254 -22.166 -9.178 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.119 -21.106 -10.047 1.00 0.00 H new ATOM 869 N MET A 70 0.854 -23.100 -5.750 1.00 0.00 N ATOM 870 CA MET A 70 0.955 -23.525 -4.358 1.00 0.00 C ATOM 871 C MET A 70 2.260 -23.040 -3.734 1.00 0.00 C ATOM 872 O MET A 70 3.152 -23.836 -3.437 1.00 0.00 O ATOM 873 CB MET A 70 0.861 -25.048 -4.260 1.00 0.00 C ATOM 874 CG MET A 70 -0.487 -25.604 -4.688 1.00 0.00 C ATOM 875 SD MET A 70 -1.092 -26.894 -3.583 1.00 0.00 S ATOM 876 CE MET A 70 0.225 -28.102 -3.717 1.00 0.00 C ATOM 0 H MET A 70 1.476 -23.595 -6.389 1.00 0.00 H new ATOM 0 HA MET A 70 0.125 -23.082 -3.807 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.641 -25.492 -4.879 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.059 -25.350 -3.232 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.214 -24.793 -4.725 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.405 -26.006 -5.698 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.061 -29.012 -3.189 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.402 -28.333 -4.768 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.136 -27.697 -3.276 1.00 0.00 H new ATOM 886 N MET A 71 2.365 -21.730 -3.535 1.00 0.00 N ATOM 887 CA MET A 71 3.561 -21.142 -2.944 1.00 0.00 C ATOM 888 C MET A 71 3.645 -21.466 -1.457 1.00 0.00 C ATOM 889 O MET A 71 2.719 -22.040 -0.884 1.00 0.00 O ATOM 890 CB MET A 71 3.567 -19.630 -3.154 1.00 0.00 C ATOM 891 CG MET A 71 2.391 -18.915 -2.512 1.00 0.00 C ATOM 892 SD MET A 71 2.481 -17.127 -2.709 1.00 0.00 S ATOM 893 CE MET A 71 4.229 -16.847 -2.440 1.00 0.00 C ATOM 0 H MET A 71 1.637 -21.057 -3.774 1.00 0.00 H new ATOM 0 HA MET A 71 4.432 -21.571 -3.439 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.493 -19.221 -2.750 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.566 -19.422 -4.224 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.463 -19.280 -2.953 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.357 -19.159 -1.450 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.396 -15.798 -2.194 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.575 -17.472 -1.617 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.781 -17.100 -3.345 1.00 0.00 H new ATOM 903 N THR A 72 4.762 -21.101 -0.838 1.00 0.00 N ATOM 904 CA THR A 72 4.969 -21.358 0.582 1.00 0.00 C ATOM 905 C THR A 72 4.427 -20.213 1.431 1.00 0.00 C ATOM 906 O THR A 72 4.545 -19.044 1.063 1.00 0.00 O ATOM 907 CB THR A 72 6.456 -21.563 0.872 1.00 0.00 C ATOM 908 OG1 THR A 72 7.119 -22.094 -0.261 1.00 0.00 O ATOM 909 CG2 THR A 72 6.717 -22.497 2.034 1.00 0.00 C ATOM 0 H THR A 72 5.539 -20.626 -1.298 1.00 0.00 H new ATOM 0 HA THR A 72 4.425 -22.266 0.843 1.00 0.00 H new ATOM 0 HB THR A 72 6.838 -20.575 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.070 -22.216 -0.056 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.792 -22.598 2.185 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.260 -22.091 2.937 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.287 -23.475 1.818 1.00 0.00 H new ATOM 917 N ARG A 73 3.837 -20.557 2.571 1.00 0.00 N ATOM 918 CA ARG A 73 3.280 -19.557 3.476 1.00 0.00 C ATOM 919 C ARG A 73 4.359 -18.581 3.931 1.00 0.00 C ATOM 920 O ARG A 73 4.077 -17.415 4.213 1.00 0.00 O ATOM 921 CB ARG A 73 2.641 -20.234 4.689 1.00 0.00 C ATOM 922 CG ARG A 73 3.599 -21.123 5.464 1.00 0.00 C ATOM 923 CD ARG A 73 3.401 -20.985 6.965 1.00 0.00 C ATOM 924 NE ARG A 73 4.614 -21.312 7.711 1.00 0.00 N ATOM 925 CZ ARG A 73 4.832 -20.944 8.971 1.00 0.00 C ATOM 926 NH1 ARG A 73 3.921 -20.237 9.630 1.00 0.00 N ATOM 927 NH2 ARG A 73 5.962 -21.285 9.575 1.00 0.00 N ATOM 0 H ARG A 73 3.732 -21.520 2.890 1.00 0.00 H new ATOM 0 HA ARG A 73 2.513 -19.000 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.248 -19.468 5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.793 -20.832 4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.450 -22.162 5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.626 -20.864 5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.097 -19.965 7.198 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.591 -21.640 7.285 1.00 0.00 H new ATOM 0 HE ARG A 73 5.337 -21.855 7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.049 -19.974 9.170 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.093 -19.957 10.596 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.664 -21.829 9.074 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.129 -21.003 10.541 1.00 0.00 H new ATOM 941 N GLU A 74 5.596 -19.063 4.001 1.00 0.00 N ATOM 942 CA GLU A 74 6.718 -18.231 4.419 1.00 0.00 C ATOM 943 C GLU A 74 6.856 -17.015 3.510 1.00 0.00 C ATOM 944 O GLU A 74 7.128 -15.906 3.974 1.00 0.00 O ATOM 945 CB GLU A 74 8.015 -19.042 4.407 1.00 0.00 C ATOM 946 CG GLU A 74 9.034 -18.575 5.433 1.00 0.00 C ATOM 947 CD GLU A 74 10.045 -19.650 5.782 1.00 0.00 C ATOM 948 OE1 GLU A 74 10.571 -20.294 4.849 1.00 0.00 O ATOM 949 OE2 GLU A 74 10.309 -19.849 6.986 1.00 0.00 O ATOM 0 H GLU A 74 5.846 -20.025 3.774 1.00 0.00 H new ATOM 0 HA GLU A 74 6.525 -17.885 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.780 -20.090 4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.460 -18.985 3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.558 -17.700 5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.515 -18.262 6.339 1.00 0.00 H new ATOM 956 N GLN A 75 6.660 -17.228 2.213 1.00 0.00 N ATOM 957 CA GLN A 75 6.755 -16.149 1.238 1.00 0.00 C ATOM 958 C GLN A 75 5.668 -15.108 1.485 1.00 0.00 C ATOM 959 O GLN A 75 5.882 -13.912 1.291 1.00 0.00 O ATOM 960 CB GLN A 75 6.642 -16.704 -0.184 1.00 0.00 C ATOM 961 CG GLN A 75 7.943 -16.647 -0.965 1.00 0.00 C ATOM 962 CD GLN A 75 8.916 -17.736 -0.556 1.00 0.00 C ATOM 963 OE1 GLN A 75 9.056 -18.749 -1.242 1.00 0.00 O ATOM 964 NE2 GLN A 75 9.594 -17.533 0.567 1.00 0.00 N ATOM 0 H GLN A 75 6.434 -18.139 1.813 1.00 0.00 H new ATOM 0 HA GLN A 75 7.727 -15.669 1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.303 -17.739 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.879 -16.143 -0.724 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.728 -16.738 -2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.410 -15.673 -0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.447 -16.679 1.104 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.262 -18.231 0.892 1.00 0.00 H new ATOM 973 N ILE A 76 4.500 -15.576 1.919 1.00 0.00 N ATOM 974 CA ILE A 76 3.380 -14.687 2.198 1.00 0.00 C ATOM 975 C ILE A 76 3.674 -13.808 3.408 1.00 0.00 C ATOM 976 O ILE A 76 3.302 -12.635 3.442 1.00 0.00 O ATOM 977 CB ILE A 76 2.083 -15.481 2.458 1.00 0.00 C ATOM 978 CG1 ILE A 76 1.824 -16.470 1.319 1.00 0.00 C ATOM 979 CG2 ILE A 76 0.904 -14.533 2.625 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.509 -15.805 -0.003 1.00 0.00 C ATOM 0 H ILE A 76 4.307 -16.564 2.084 1.00 0.00 H new ATOM 0 HA ILE A 76 3.242 -14.060 1.317 1.00 0.00 H new ATOM 0 HB ILE A 76 2.202 -16.046 3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.700 -17.107 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.994 -17.120 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.003 -15.109 2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.088 -13.869 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.781 -13.941 1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.337 -16.568 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.615 -15.190 0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.348 -15.177 -0.303 1.00 0.00 H new ATOM 992 N GLN A 77 4.344 -14.385 4.401 1.00 0.00 N ATOM 993 CA GLN A 77 4.689 -13.657 5.616 1.00 0.00 C ATOM 994 C GLN A 77 5.694 -12.552 5.319 1.00 0.00 C ATOM 995 O GLN A 77 5.484 -11.394 5.682 1.00 0.00 O ATOM 996 CB GLN A 77 5.261 -14.615 6.663 1.00 0.00 C ATOM 997 CG GLN A 77 4.854 -14.272 8.088 1.00 0.00 C ATOM 998 CD GLN A 77 3.378 -14.502 8.343 1.00 0.00 C ATOM 999 OE1 GLN A 77 2.955 -15.619 8.642 1.00 0.00 O ATOM 1000 NE2 GLN A 77 2.584 -13.444 8.227 1.00 0.00 N ATOM 0 H GLN A 77 4.659 -15.355 4.387 1.00 0.00 H new ATOM 0 HA GLN A 77 3.780 -13.201 6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.932 -15.629 6.434 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.349 -14.609 6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.438 -14.875 8.784 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.096 -13.229 8.290 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.977 -12.536 7.977 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.581 -13.539 8.388 1.00 0.00 H new ATOM 1009 N LYS A 78 6.789 -12.911 4.656 1.00 0.00 N ATOM 1010 CA LYS A 78 7.822 -11.942 4.312 1.00 0.00 C ATOM 1011 C LYS A 78 7.286 -10.908 3.337 1.00 0.00 C ATOM 1012 O LYS A 78 7.494 -9.709 3.518 1.00 0.00 O ATOM 1013 CB LYS A 78 9.044 -12.645 3.721 1.00 0.00 C ATOM 1014 CG LYS A 78 10.335 -11.856 3.881 1.00 0.00 C ATOM 1015 CD LYS A 78 11.332 -12.584 4.771 1.00 0.00 C ATOM 1016 CE LYS A 78 12.475 -13.178 3.962 1.00 0.00 C ATOM 1017 NZ LYS A 78 13.657 -12.273 3.923 1.00 0.00 N ATOM 0 H LYS A 78 6.983 -13.864 4.347 1.00 0.00 H new ATOM 0 HA LYS A 78 8.124 -11.430 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.160 -13.618 4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.870 -12.830 2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.780 -11.683 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.113 -10.878 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.731 -11.892 5.513 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.822 -13.377 5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.765 -14.136 4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.136 -13.376 2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.414 -12.714 3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.387 -11.368 3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.997 -12.104 4.891 1.00 0.00 H new ATOM 1031 N GLU A 79 6.577 -11.367 2.310 1.00 0.00 N ATOM 1032 CA GLU A 79 6.003 -10.452 1.334 1.00 0.00 C ATOM 1033 C GLU A 79 5.114 -9.454 2.055 1.00 0.00 C ATOM 1034 O GLU A 79 5.062 -8.275 1.699 1.00 0.00 O ATOM 1035 CB GLU A 79 5.203 -11.214 0.274 1.00 0.00 C ATOM 1036 CG GLU A 79 6.070 -11.870 -0.789 1.00 0.00 C ATOM 1037 CD GLU A 79 5.711 -11.423 -2.193 1.00 0.00 C ATOM 1038 OE1 GLU A 79 5.738 -10.202 -2.452 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.402 -12.294 -3.033 1.00 0.00 O ATOM 0 H GLU A 79 6.389 -12.354 2.135 1.00 0.00 H new ATOM 0 HA GLU A 79 6.808 -9.923 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.603 -11.980 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.509 -10.526 -0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.117 -11.636 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.967 -12.953 -0.719 1.00 0.00 H new ATOM 1046 N TYR A 80 4.450 -9.928 3.103 1.00 0.00 N ATOM 1047 CA TYR A 80 3.605 -9.069 3.909 1.00 0.00 C ATOM 1048 C TYR A 80 4.482 -8.021 4.574 1.00 0.00 C ATOM 1049 O TYR A 80 4.105 -6.854 4.685 1.00 0.00 O ATOM 1050 CB TYR A 80 2.853 -9.882 4.965 1.00 0.00 C ATOM 1051 CG TYR A 80 1.761 -9.107 5.664 1.00 0.00 C ATOM 1052 CD1 TYR A 80 2.068 -8.093 6.563 1.00 0.00 C ATOM 1053 CD2 TYR A 80 0.421 -9.388 5.426 1.00 0.00 C ATOM 1054 CE1 TYR A 80 1.070 -7.383 7.205 1.00 0.00 C ATOM 1055 CE2 TYR A 80 -0.581 -8.681 6.063 1.00 0.00 C ATOM 1056 CZ TYR A 80 -0.251 -7.680 6.951 1.00 0.00 C ATOM 1057 OH TYR A 80 -1.246 -6.974 7.588 1.00 0.00 O ATOM 0 H TYR A 80 4.483 -10.900 3.410 1.00 0.00 H new ATOM 0 HA TYR A 80 2.862 -8.586 3.274 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.416 -10.761 4.491 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.564 -10.241 5.709 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.102 -7.856 6.764 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.158 -10.172 4.731 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.325 -6.599 7.903 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.618 -8.912 5.866 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.121 -7.307 7.297 1.00 0.00 H new ATOM 1067 N ASP A 81 5.674 -8.449 4.990 1.00 0.00 N ATOM 1068 CA ASP A 81 6.628 -7.549 5.616 1.00 0.00 C ATOM 1069 C ASP A 81 7.177 -6.571 4.587 1.00 0.00 C ATOM 1070 O ASP A 81 7.419 -5.404 4.896 1.00 0.00 O ATOM 1071 CB ASP A 81 7.771 -8.338 6.258 1.00 0.00 C ATOM 1072 CG ASP A 81 8.254 -7.708 7.551 1.00 0.00 C ATOM 1073 OD1 ASP A 81 7.441 -7.588 8.492 1.00 0.00 O ATOM 1074 OD2 ASP A 81 9.443 -7.335 7.623 1.00 0.00 O ATOM 0 H ASP A 81 5.997 -9.413 4.903 1.00 0.00 H new ATOM 0 HA ASP A 81 6.115 -6.989 6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.439 -9.357 6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.602 -8.404 5.556 1.00 0.00 H new ATOM 1079 N ALA A 82 7.360 -7.045 3.352 1.00 0.00 N ATOM 1080 CA ALA A 82 7.863 -6.191 2.288 1.00 0.00 C ATOM 1081 C ALA A 82 6.936 -4.999 2.104 1.00 0.00 C ATOM 1082 O ALA A 82 7.381 -3.870 1.898 1.00 0.00 O ATOM 1083 CB ALA A 82 7.995 -6.974 0.990 1.00 0.00 C ATOM 0 H ALA A 82 7.168 -8.007 3.072 1.00 0.00 H new ATOM 0 HA ALA A 82 8.853 -5.828 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.373 -6.318 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.688 -7.803 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.019 -7.363 0.699 1.00 0.00 H new ATOM 1089 N LEU A 83 5.638 -5.263 2.206 1.00 0.00 N ATOM 1090 CA LEU A 83 4.635 -4.219 2.079 1.00 0.00 C ATOM 1091 C LEU A 83 4.613 -3.361 3.336 1.00 0.00 C ATOM 1092 O LEU A 83 4.332 -2.164 3.279 1.00 0.00 O ATOM 1093 CB LEU A 83 3.253 -4.828 1.833 1.00 0.00 C ATOM 1094 CG LEU A 83 3.163 -5.768 0.629 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.107 -6.837 0.864 1.00 0.00 C ATOM 1096 CD2 LEU A 83 2.858 -4.982 -0.638 1.00 0.00 C ATOM 0 H LEU A 83 5.258 -6.194 2.377 1.00 0.00 H new ATOM 0 HA LEU A 83 4.893 -3.592 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.950 -5.376 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.535 -4.019 1.697 1.00 0.00 H new ATOM 0 HG LEU A 83 4.127 -6.261 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.057 -7.496 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.369 -7.419 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.137 -6.363 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.797 -5.666 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.907 -4.461 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.651 -4.255 -0.815 1.00 0.00 H new ATOM 1108 N VAL A 84 4.926 -3.978 4.476 1.00 0.00 N ATOM 1109 CA VAL A 84 4.954 -3.261 5.742 1.00 0.00 C ATOM 1110 C VAL A 84 6.125 -2.285 5.773 1.00 0.00 C ATOM 1111 O VAL A 84 6.000 -1.168 6.272 1.00 0.00 O ATOM 1112 CB VAL A 84 5.066 -4.228 6.939 1.00 0.00 C ATOM 1113 CG1 VAL A 84 5.055 -3.460 8.253 1.00 0.00 C ATOM 1114 CG2 VAL A 84 3.941 -5.254 6.904 1.00 0.00 C ATOM 0 H VAL A 84 5.162 -4.968 4.544 1.00 0.00 H new ATOM 0 HA VAL A 84 4.015 -2.713 5.826 1.00 0.00 H new ATOM 0 HB VAL A 84 6.015 -4.759 6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.135 -4.160 9.084 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.898 -2.769 8.278 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.124 -2.899 8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.036 -5.928 7.756 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.980 -4.742 6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.001 -5.828 5.979 1.00 0.00 H new ATOM 1124 N LYS A 85 7.259 -2.712 5.224 1.00 0.00 N ATOM 1125 CA LYS A 85 8.447 -1.870 5.182 1.00 0.00 C ATOM 1126 C LYS A 85 8.211 -0.664 4.281 1.00 0.00 C ATOM 1127 O LYS A 85 8.476 0.476 4.666 1.00 0.00 O ATOM 1128 CB LYS A 85 9.653 -2.674 4.686 1.00 0.00 C ATOM 1129 CG LYS A 85 10.827 -2.668 5.651 1.00 0.00 C ATOM 1130 CD LYS A 85 10.657 -3.714 6.742 1.00 0.00 C ATOM 1131 CE LYS A 85 11.828 -3.706 7.711 1.00 0.00 C ATOM 1132 NZ LYS A 85 11.388 -3.936 9.115 1.00 0.00 N ATOM 0 H LYS A 85 7.379 -3.634 4.804 1.00 0.00 H new ATOM 0 HA LYS A 85 8.656 -1.515 6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.344 -3.704 4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.979 -2.270 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.750 -2.858 5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.922 -1.681 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.732 -3.526 7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.565 -4.701 6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.543 -4.477 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.347 -2.750 7.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.216 -3.923 9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.726 -3.186 9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.915 -4.860 9.184 1.00 0.00 H new ATOM 1146 N SER A 86 7.704 -0.926 3.083 1.00 0.00 N ATOM 1147 CA SER A 86 7.422 0.136 2.126 1.00 0.00 C ATOM 1148 C SER A 86 6.267 1.001 2.617 1.00 0.00 C ATOM 1149 O SER A 86 6.274 2.222 2.451 1.00 0.00 O ATOM 1150 CB SER A 86 7.089 -0.454 0.755 1.00 0.00 C ATOM 1151 OG SER A 86 8.212 -1.111 0.196 1.00 0.00 O ATOM 0 H SER A 86 7.480 -1.864 2.751 1.00 0.00 H new ATOM 0 HA SER A 86 8.312 0.759 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.262 -1.158 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.757 0.339 0.085 1.00 0.00 H new ATOM 0 HG SER A 86 7.972 -1.481 -0.679 1.00 0.00 H new ATOM 1157 N SER A 87 5.279 0.359 3.228 1.00 0.00 N ATOM 1158 CA SER A 87 4.117 1.064 3.752 1.00 0.00 C ATOM 1159 C SER A 87 4.518 1.986 4.899 1.00 0.00 C ATOM 1160 O SER A 87 4.172 3.165 4.906 1.00 0.00 O ATOM 1161 CB SER A 87 3.060 0.068 4.228 1.00 0.00 C ATOM 1162 OG SER A 87 2.392 -0.532 3.131 1.00 0.00 O ATOM 0 H SER A 87 5.260 -0.650 3.373 1.00 0.00 H new ATOM 0 HA SER A 87 3.696 1.670 2.949 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.531 -0.704 4.837 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.336 0.578 4.864 1.00 0.00 H new ATOM 0 HG SER A 87 2.838 -1.373 2.896 1.00 0.00 H new ATOM 1168 N GLU A 88 5.253 1.441 5.864 1.00 0.00 N ATOM 1169 CA GLU A 88 5.703 2.220 7.014 1.00 0.00 C ATOM 1170 C GLU A 88 6.464 3.460 6.561 1.00 0.00 C ATOM 1171 O GLU A 88 6.262 4.554 7.086 1.00 0.00 O ATOM 1172 CB GLU A 88 6.587 1.366 7.924 1.00 0.00 C ATOM 1173 CG GLU A 88 6.501 1.753 9.393 1.00 0.00 C ATOM 1174 CD GLU A 88 7.865 1.958 10.024 1.00 0.00 C ATOM 1175 OE1 GLU A 88 8.858 1.441 9.473 1.00 0.00 O ATOM 1176 OE2 GLU A 88 7.936 2.635 11.073 1.00 0.00 O ATOM 0 H GLU A 88 5.549 0.465 5.873 1.00 0.00 H new ATOM 0 HA GLU A 88 4.824 2.538 7.574 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.302 0.319 7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.623 1.451 7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.919 2.669 9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.966 0.976 9.939 1.00 0.00 H new ATOM 1183 N ASP A 89 7.337 3.281 5.576 1.00 0.00 N ATOM 1184 CA ASP A 89 8.126 4.385 5.044 1.00 0.00 C ATOM 1185 C ASP A 89 7.233 5.384 4.315 1.00 0.00 C ATOM 1186 O ASP A 89 7.537 6.576 4.257 1.00 0.00 O ATOM 1187 CB ASP A 89 9.204 3.860 4.095 1.00 0.00 C ATOM 1188 CG ASP A 89 10.455 3.414 4.829 1.00 0.00 C ATOM 1189 OD1 ASP A 89 11.305 4.277 5.130 1.00 0.00 O ATOM 1190 OD2 ASP A 89 10.582 2.201 5.102 1.00 0.00 O ATOM 0 H ASP A 89 7.516 2.381 5.130 1.00 0.00 H new ATOM 0 HA ASP A 89 8.607 4.893 5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.804 3.023 3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.465 4.640 3.379 1.00 0.00 H new ATOM 1195 N LEU A 90 6.131 4.890 3.757 1.00 0.00 N ATOM 1196 CA LEU A 90 5.197 5.741 3.027 1.00 0.00 C ATOM 1197 C LEU A 90 4.490 6.711 3.967 1.00 0.00 C ATOM 1198 O LEU A 90 4.431 7.913 3.702 1.00 0.00 O ATOM 1199 CB LEU A 90 4.168 4.883 2.285 1.00 0.00 C ATOM 1200 CG LEU A 90 3.042 5.663 1.603 1.00 0.00 C ATOM 1201 CD1 LEU A 90 2.657 5.005 0.286 1.00 0.00 C ATOM 1202 CD2 LEU A 90 1.832 5.763 2.522 1.00 0.00 C ATOM 0 H LEU A 90 5.864 3.906 3.796 1.00 0.00 H new ATOM 0 HA LEU A 90 5.766 6.323 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.687 4.292 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.726 4.181 2.992 1.00 0.00 H new ATOM 0 HG LEU A 90 3.400 6.670 1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.855 5.574 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.522 4.983 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.317 3.986 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.040 6.321 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.474 4.762 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.114 6.278 3.440 1.00 0.00 H new ATOM 1214 N LEU A 91 3.962 6.189 5.067 1.00 0.00 N ATOM 1215 CA LEU A 91 3.266 7.023 6.044 1.00 0.00 C ATOM 1216 C LEU A 91 4.215 8.067 6.609 1.00 0.00 C ATOM 1217 O LEU A 91 3.922 9.263 6.600 1.00 0.00 O ATOM 1218 CB LEU A 91 2.699 6.177 7.187 1.00 0.00 C ATOM 1219 CG LEU A 91 2.167 4.810 6.775 1.00 0.00 C ATOM 1220 CD1 LEU A 91 1.743 4.010 7.997 1.00 0.00 C ATOM 1221 CD2 LEU A 91 1.008 4.958 5.801 1.00 0.00 C ATOM 0 H LEU A 91 4.001 5.198 5.306 1.00 0.00 H new ATOM 0 HA LEU A 91 2.439 7.517 5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.479 6.036 7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.894 6.734 7.666 1.00 0.00 H new ATOM 0 HG LEU A 91 2.968 4.267 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.366 3.037 7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.600 3.871 8.656 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.959 4.548 8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.642 3.971 5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.204 5.521 6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.346 5.488 4.911 1.00 0.00 H new ATOM 1233 N SER A 92 5.358 7.600 7.092 1.00 0.00 N ATOM 1234 CA SER A 92 6.368 8.486 7.656 1.00 0.00 C ATOM 1235 C SER A 92 6.817 9.515 6.625 1.00 0.00 C ATOM 1236 O SER A 92 7.049 10.679 6.952 1.00 0.00 O ATOM 1237 CB SER A 92 7.570 7.678 8.149 1.00 0.00 C ATOM 1238 OG SER A 92 7.427 7.328 9.514 1.00 0.00 O ATOM 0 H SER A 92 5.610 6.612 7.105 1.00 0.00 H new ATOM 0 HA SER A 92 5.926 9.012 8.502 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.675 6.775 7.548 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.482 8.259 8.013 1.00 0.00 H new ATOM 0 HG SER A 92 8.208 6.811 9.803 1.00 0.00 H new ATOM 1244 N ALA A 93 6.931 9.077 5.375 1.00 0.00 N ATOM 1245 CA ALA A 93 7.345 9.959 4.293 1.00 0.00 C ATOM 1246 C ALA A 93 6.263 10.990 3.988 1.00 0.00 C ATOM 1247 O ALA A 93 6.561 12.140 3.664 1.00 0.00 O ATOM 1248 CB ALA A 93 7.673 9.150 3.047 1.00 0.00 C ATOM 0 H ALA A 93 6.742 8.117 5.088 1.00 0.00 H new ATOM 0 HA ALA A 93 8.242 10.491 4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.981 9.823 2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.483 8.454 3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.791 8.592 2.733 1.00 0.00 H new ATOM 1254 N LEU A 94 5.008 10.570 4.097 1.00 0.00 N ATOM 1255 CA LEU A 94 3.880 11.457 3.835 1.00 0.00 C ATOM 1256 C LEU A 94 3.755 12.513 4.927 1.00 0.00 C ATOM 1257 O LEU A 94 3.510 13.686 4.647 1.00 0.00 O ATOM 1258 CB LEU A 94 2.584 10.650 3.730 1.00 0.00 C ATOM 1259 CG LEU A 94 2.183 10.252 2.308 1.00 0.00 C ATOM 1260 CD1 LEU A 94 1.710 8.807 2.269 1.00 0.00 C ATOM 1261 CD2 LEU A 94 1.102 11.182 1.778 1.00 0.00 C ATOM 0 H LEU A 94 4.746 9.621 4.365 1.00 0.00 H new ATOM 0 HA LEU A 94 4.058 11.964 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.688 9.745 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.774 11.232 4.170 1.00 0.00 H new ATOM 0 HG LEU A 94 3.060 10.343 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.429 8.543 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.514 8.152 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.847 8.689 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.830 10.884 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.224 11.124 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.476 12.206 1.766 1.00 0.00 H new ATOM 1273 N GLN A 95 3.926 12.088 6.174 1.00 0.00 N ATOM 1274 CA GLN A 95 3.836 12.999 7.311 1.00 0.00 C ATOM 1275 C GLN A 95 4.862 14.119 7.186 1.00 0.00 C ATOM 1276 O GLN A 95 4.517 15.300 7.229 1.00 0.00 O ATOM 1277 CB GLN A 95 4.045 12.238 8.623 1.00 0.00 C ATOM 1278 CG GLN A 95 2.750 11.768 9.266 1.00 0.00 C ATOM 1279 CD GLN A 95 2.070 10.667 8.473 1.00 0.00 C ATOM 1280 OE1 GLN A 95 2.006 10.720 7.244 1.00 0.00 O ATOM 1281 NE2 GLN A 95 1.556 9.664 9.173 1.00 0.00 N ATOM 0 H GLN A 95 4.127 11.120 6.424 1.00 0.00 H new ATOM 0 HA GLN A 95 2.840 13.441 7.316 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.682 11.374 8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.578 12.880 9.325 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.959 11.409 10.274 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.069 12.614 9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.632 9.660 10.190 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.085 8.896 8.694 1.00 0.00 H new ATOM 1290 N LYS A 96 6.123 13.739 7.018 1.00 0.00 N ATOM 1291 CA LYS A 96 7.196 14.714 6.872 1.00 0.00 C ATOM 1292 C LYS A 96 6.998 15.534 5.605 1.00 0.00 C ATOM 1293 O LYS A 96 7.412 16.690 5.528 1.00 0.00 O ATOM 1294 CB LYS A 96 8.553 14.010 6.832 1.00 0.00 C ATOM 1295 CG LYS A 96 8.783 13.071 8.004 1.00 0.00 C ATOM 1296 CD LYS A 96 10.092 12.310 7.860 1.00 0.00 C ATOM 1297 CE LYS A 96 11.201 12.949 8.679 1.00 0.00 C ATOM 1298 NZ LYS A 96 11.468 12.195 9.935 1.00 0.00 N ATOM 0 H LYS A 96 6.427 12.766 6.980 1.00 0.00 H new ATOM 0 HA LYS A 96 7.172 15.384 7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.633 13.445 5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.343 14.761 6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.793 13.642 8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.956 12.364 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.951 11.278 8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.384 12.281 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.112 12.995 8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.927 13.975 8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.231 12.663 10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.606 12.172 10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.754 11.223 9.702 1.00 0.00 H new ATOM 1312 N LYS A 97 6.360 14.925 4.611 1.00 0.00 N ATOM 1313 CA LYS A 97 6.103 15.592 3.342 1.00 0.00 C ATOM 1314 C LYS A 97 5.113 16.741 3.514 1.00 0.00 C ATOM 1315 O LYS A 97 5.214 17.764 2.835 1.00 0.00 O ATOM 1316 CB LYS A 97 5.568 14.592 2.316 1.00 0.00 C ATOM 1317 CG LYS A 97 5.296 15.205 0.952 1.00 0.00 C ATOM 1318 CD LYS A 97 5.316 14.154 -0.145 1.00 0.00 C ATOM 1319 CE LYS A 97 4.782 14.706 -1.457 1.00 0.00 C ATOM 1320 NZ LYS A 97 5.821 15.466 -2.204 1.00 0.00 N ATOM 0 H LYS A 97 6.011 13.968 4.661 1.00 0.00 H new ATOM 0 HA LYS A 97 7.046 16.004 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.287 13.780 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.647 14.151 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.326 15.703 0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.044 15.969 0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.335 13.796 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.717 13.296 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.418 13.885 -2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.930 15.356 -1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.526 16.459 -2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.723 15.418 -1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.940 15.052 -3.151 1.00 0.00 H new