USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 847 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 7 LYS NZ :NH3+ -161:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 81 SER OG : rot 90:sc= 1.01 USER MOD Set 2.1: A 16 LYS NZ :NH3+ 137:sc= 2 (180deg=-1.56) USER MOD Set 2.2: A 22 ASN : amide:sc= 1.19 K(o=3.3,f=-7.5!) USER MOD Set 2.3: A 109 SER OG : rot -170:sc= 0.101 USER MOD Set 3.1: A 12 HIS : no HD1:sc= -0.972 K(o=-6.1,f=-10!) USER MOD Set 3.2: A 68 CYS SG : rot -110:sc= -2.66! USER MOD Set 3.3: A 70 SER OG : rot 180:sc= 0.0489 USER MOD Set 3.4: A 107 THR OG1 : rot -135:sc= 0.872 USER MOD Set 3.5: A 112 HIS :FLIP no HD1:sc= -3.35! C(o=-8.7!,f=-6.1!) USER MOD Single : A 18 SER OG : rot -79:sc= 1.08 USER MOD Single : A 20 SER OG : rot -84:sc= -0.374 USER MOD Single : A 25 SER OG : rot 170:sc= 0.338 USER MOD Single : A 28 THR OG1 : rot 111:sc= 1.25 USER MOD Single : A 31 SER OG : rot -92:sc= 0.107 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.85 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0626 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.09) USER MOD Single : A 45 GLN : amide:sc= -0.447 X(o=-0.45,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0149) USER MOD Single : A 48 SER OG : rot -74:sc= 0.579 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -176:sc= -0.0721 USER MOD Single : A 57 SER OG : rot 180:sc= -2.8! USER MOD Single : A 63 SER OG : rot 104:sc= 1.1 USER MOD Single : A 64 GLN : amide:sc= 1.07 K(o=1.1,f=-0.0059) USER MOD Single : A 66 SER OG : rot -42:sc= 1.27 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -137:sc= -1.13 (180deg=-2.76!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -0.0427 (180deg=-0.323) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 120:sc= 0.883 USER MOD Single : A 106 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 7 -18.778 -4.828 -2.834 1.00 0.57 N ATOM 47 CA LYS A 7 -17.829 -4.151 -3.696 1.00 0.51 C ATOM 48 C LYS A 7 -17.288 -2.905 -3.027 1.00 0.42 C ATOM 49 O LYS A 7 -18.015 -1.950 -2.746 1.00 0.60 O ATOM 50 CB LYS A 7 -18.447 -3.807 -5.042 1.00 0.64 C ATOM 51 CG LYS A 7 -17.818 -4.559 -6.207 1.00 0.92 C ATOM 52 CD LYS A 7 -17.810 -6.061 -5.967 1.00 0.87 C ATOM 53 CE LYS A 7 -17.357 -6.824 -7.201 1.00 1.10 C ATOM 54 NZ LYS A 7 -17.458 -8.297 -7.014 1.00 1.19 N ATOM 0 HA LYS A 7 -17.000 -4.836 -3.874 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.514 -4.028 -5.010 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -18.348 -2.735 -5.215 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -18.368 -4.339 -7.122 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -16.797 -4.209 -6.358 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -17.148 -6.293 -5.132 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -18.810 -6.390 -5.682 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -17.964 -6.525 -8.055 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -16.326 -6.558 -7.434 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -16.860 -8.778 -7.716 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -17.139 -8.548 -6.057 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -18.446 -8.596 -7.139 1.00 1.19 H new ATOM 68 N LEU A 8 -16.001 -2.942 -2.783 1.00 0.33 N ATOM 69 CA LEU A 8 -15.292 -1.874 -2.125 1.00 0.26 C ATOM 70 C LEU A 8 -14.284 -1.299 -3.113 1.00 0.22 C ATOM 71 O LEU A 8 -13.948 -1.949 -4.103 1.00 0.22 O ATOM 72 CB LEU A 8 -14.603 -2.452 -0.880 1.00 0.25 C ATOM 73 CG LEU A 8 -14.442 -1.519 0.326 1.00 0.33 C ATOM 74 CD1 LEU A 8 -14.190 -2.336 1.586 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.297 -0.545 0.119 1.00 0.81 C ATOM 0 H LEU A 8 -15.407 -3.730 -3.041 1.00 0.33 H new ATOM 0 HA LEU A 8 -15.960 -1.074 -1.807 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.166 -3.328 -0.557 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.613 -2.800 -1.173 1.00 0.25 H new ATOM 0 HG LEU A 8 -15.365 -0.949 0.434 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -14.077 -1.665 2.438 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -15.033 -3.005 1.760 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -13.280 -2.923 1.463 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -13.208 0.103 0.991 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.368 -1.099 -0.017 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -13.491 0.062 -0.766 1.00 0.81 H new ATOM 87 N ARG A 9 -13.839 -0.084 -2.871 1.00 0.24 N ATOM 88 CA ARG A 9 -12.787 0.518 -3.673 1.00 0.23 C ATOM 89 C ARG A 9 -11.794 1.212 -2.763 1.00 0.20 C ATOM 90 O ARG A 9 -12.184 2.012 -1.909 1.00 0.21 O ATOM 91 CB ARG A 9 -13.342 1.528 -4.676 1.00 0.25 C ATOM 92 CG ARG A 9 -12.259 2.132 -5.549 1.00 0.26 C ATOM 93 CD ARG A 9 -12.804 3.164 -6.515 1.00 0.34 C ATOM 94 NE ARG A 9 -11.746 3.706 -7.362 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.927 4.656 -8.274 1.00 0.81 C ATOM 96 NH1 ARG A 9 -13.135 5.160 -8.494 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.891 5.094 -8.973 1.00 0.98 N ATOM 0 H ARG A 9 -14.190 0.512 -2.121 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.299 -0.279 -4.234 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -14.083 1.038 -5.308 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.857 2.324 -4.138 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.502 2.595 -4.916 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.764 1.339 -6.110 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.576 2.711 -7.138 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.278 3.973 -5.958 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.805 3.331 -7.246 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.935 4.819 -7.961 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.263 5.889 -9.196 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.963 4.703 -8.810 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -11.021 5.823 -9.675 1.00 0.98 H new ATOM 111 N ALA A 10 -10.520 0.898 -2.924 1.00 0.20 N ATOM 112 CA ALA A 10 -9.498 1.497 -2.090 1.00 0.17 C ATOM 113 C ALA A 10 -8.169 1.616 -2.825 1.00 0.16 C ATOM 114 O ALA A 10 -7.868 0.832 -3.726 1.00 0.17 O ATOM 115 CB ALA A 10 -9.329 0.681 -0.818 1.00 0.22 C ATOM 0 H ALA A 10 -10.173 0.237 -3.619 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.820 2.506 -1.833 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.559 1.135 -0.194 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.272 0.658 -0.272 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -9.034 -0.336 -1.075 1.00 0.22 H new ATOM 121 N ALA A 11 -7.384 2.604 -2.425 1.00 0.17 N ATOM 122 CA ALA A 11 -6.060 2.819 -2.986 1.00 0.18 C ATOM 123 C ALA A 11 -5.008 2.291 -2.023 1.00 0.17 C ATOM 124 O ALA A 11 -5.101 2.515 -0.819 1.00 0.19 O ATOM 125 CB ALA A 11 -5.831 4.298 -3.273 1.00 0.20 C ATOM 0 H ALA A 11 -7.646 3.277 -1.705 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.982 2.279 -3.930 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.835 4.437 -3.692 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.577 4.650 -3.986 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.918 4.866 -2.347 1.00 0.20 H new ATOM 131 N HIS A 12 -4.009 1.601 -2.548 1.00 0.16 N ATOM 132 CA HIS A 12 -3.031 0.932 -1.706 1.00 0.16 C ATOM 133 C HIS A 12 -1.613 1.143 -2.229 1.00 0.15 C ATOM 134 O HIS A 12 -1.394 1.264 -3.434 1.00 0.19 O ATOM 135 CB HIS A 12 -3.335 -0.571 -1.617 1.00 0.17 C ATOM 136 CG HIS A 12 -2.968 -1.358 -2.844 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.729 -1.376 -3.988 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.910 -2.168 -3.090 1.00 0.22 C ATOM 139 CE1 HIS A 12 -3.154 -2.164 -4.879 1.00 0.23 C ATOM 140 NE2 HIS A 12 -2.051 -2.655 -4.361 1.00 0.21 N ATOM 0 H HIS A 12 -3.854 1.490 -3.550 1.00 0.16 H new ATOM 0 HA HIS A 12 -3.098 1.370 -0.710 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.801 -0.986 -0.762 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.399 -0.702 -1.422 1.00 0.17 H new ATOM 0 HD2 HIS A 12 -1.103 -2.389 -2.407 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.529 -2.371 -5.870 1.00 0.23 H new ATOM 0 HE2 HIS A 12 -1.407 -3.293 -4.828 1.00 0.21 H new ATOM 149 N LEU A 13 -0.656 1.168 -1.316 1.00 0.15 N ATOM 150 CA LEU A 13 0.747 1.303 -1.679 1.00 0.14 C ATOM 151 C LEU A 13 1.498 0.061 -1.212 1.00 0.16 C ATOM 152 O LEU A 13 1.103 -0.568 -0.231 1.00 0.24 O ATOM 153 CB LEU A 13 1.327 2.581 -1.049 1.00 0.15 C ATOM 154 CG LEU A 13 2.639 3.104 -1.656 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.765 4.600 -1.436 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.844 2.397 -1.055 1.00 0.18 C ATOM 0 H LEU A 13 -0.826 1.096 -0.313 1.00 0.15 H new ATOM 0 HA LEU A 13 0.853 1.389 -2.760 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.578 3.369 -1.123 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.491 2.395 0.012 1.00 0.15 H new ATOM 0 HG LEU A 13 2.614 2.897 -2.726 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.699 4.954 -1.872 1.00 0.16 H new ATOM 0 HD12 LEU A 13 1.927 5.110 -1.911 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.760 4.812 -0.367 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.757 2.788 -1.504 1.00 0.18 H new ATOM 0 HD22 LEU A 13 3.867 2.568 0.021 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.773 1.327 -1.251 1.00 0.18 H new ATOM 168 N LEU A 14 2.549 -0.310 -1.931 1.00 0.13 N ATOM 169 CA LEU A 14 3.337 -1.491 -1.593 1.00 0.14 C ATOM 170 C LEU A 14 4.822 -1.169 -1.573 1.00 0.16 C ATOM 171 O LEU A 14 5.367 -0.672 -2.554 1.00 0.27 O ATOM 172 CB LEU A 14 3.077 -2.616 -2.600 1.00 0.16 C ATOM 173 CG LEU A 14 4.060 -3.796 -2.542 1.00 0.20 C ATOM 174 CD1 LEU A 14 4.004 -4.510 -1.198 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.778 -4.771 -3.666 1.00 0.27 C ATOM 0 H LEU A 14 2.878 0.192 -2.756 1.00 0.13 H new ATOM 0 HA LEU A 14 3.033 -1.817 -0.598 1.00 0.14 H new ATOM 0 HB2 LEU A 14 2.069 -2.998 -2.440 1.00 0.16 H new ATOM 0 HB3 LEU A 14 3.102 -2.194 -3.605 1.00 0.16 H new ATOM 0 HG LEU A 14 5.066 -3.394 -2.662 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.713 -5.338 -1.196 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.261 -3.810 -0.403 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.997 -4.894 -1.032 1.00 0.18 H new ATOM 0 HD21 LEU A 14 4.482 -5.602 -3.612 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.761 -5.151 -3.572 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.888 -4.263 -4.624 1.00 0.27 H new ATOM 187 N VAL A 15 5.463 -1.455 -0.457 1.00 0.13 N ATOM 188 CA VAL A 15 6.905 -1.320 -0.350 1.00 0.13 C ATOM 189 C VAL A 15 7.536 -2.704 -0.226 1.00 0.13 C ATOM 190 O VAL A 15 7.012 -3.572 0.477 1.00 0.15 O ATOM 191 CB VAL A 15 7.313 -0.442 0.859 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.826 -0.332 0.971 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.696 0.941 0.746 1.00 0.15 C ATOM 0 H VAL A 15 5.006 -1.784 0.394 1.00 0.13 H new ATOM 0 HA VAL A 15 7.266 -0.825 -1.251 1.00 0.13 H new ATOM 0 HB VAL A 15 6.937 -0.923 1.762 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.083 0.290 1.828 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.254 -1.326 1.102 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.226 0.119 0.063 1.00 0.13 H new ATOM 0 HG21 VAL A 15 6.994 1.543 1.604 1.00 0.15 H new ATOM 0 HG22 VAL A 15 7.041 1.420 -0.171 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.610 0.854 0.723 1.00 0.15 H new ATOM 203 N LYS A 16 8.640 -2.906 -0.925 1.00 0.15 N ATOM 204 CA LYS A 16 9.349 -4.176 -0.902 1.00 0.17 C ATOM 205 C LYS A 16 10.623 -4.060 -0.078 1.00 0.16 C ATOM 206 O LYS A 16 11.114 -2.957 0.169 1.00 0.24 O ATOM 207 CB LYS A 16 9.705 -4.612 -2.320 1.00 0.23 C ATOM 208 CG LYS A 16 8.547 -5.190 -3.109 1.00 0.26 C ATOM 209 CD LYS A 16 8.080 -6.504 -2.510 1.00 0.37 C ATOM 210 CE LYS A 16 7.253 -7.312 -3.497 1.00 0.48 C ATOM 211 NZ LYS A 16 7.958 -7.496 -4.796 1.00 0.62 N ATOM 0 H LYS A 16 9.069 -2.199 -1.522 1.00 0.15 H new ATOM 0 HA LYS A 16 8.695 -4.921 -0.449 1.00 0.17 H new ATOM 0 HB2 LYS A 16 10.104 -3.754 -2.861 1.00 0.23 H new ATOM 0 HB3 LYS A 16 10.501 -5.355 -2.269 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.721 -4.479 -3.122 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.850 -5.346 -4.144 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.945 -7.088 -2.197 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.488 -6.306 -1.616 1.00 0.37 H new ATOM 0 HE2 LYS A 16 7.026 -8.287 -3.067 1.00 0.48 H new ATOM 0 HE3 LYS A 16 6.301 -6.810 -3.669 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 7.841 -8.478 -5.118 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 7.556 -6.849 -5.504 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 8.970 -7.290 -4.674 1.00 0.62 H new ATOM 225 N PHE A 17 11.159 -5.200 0.327 1.00 0.17 N ATOM 226 CA PHE A 17 12.379 -5.237 1.110 1.00 0.17 C ATOM 227 C PHE A 17 13.030 -6.603 0.989 1.00 0.19 C ATOM 228 O PHE A 17 12.396 -7.556 0.545 1.00 0.21 O ATOM 229 CB PHE A 17 12.107 -4.882 2.580 1.00 0.17 C ATOM 230 CG PHE A 17 11.178 -5.816 3.314 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.662 -6.961 3.929 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.827 -5.527 3.415 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.815 -7.802 4.623 1.00 0.23 C ATOM 234 CE2 PHE A 17 8.977 -6.363 4.114 1.00 0.23 C ATOM 235 CZ PHE A 17 9.470 -7.502 4.719 1.00 0.25 C ATOM 0 H PHE A 17 10.763 -6.118 0.123 1.00 0.17 H new ATOM 0 HA PHE A 17 13.066 -4.487 0.717 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.059 -4.854 3.111 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.689 -3.876 2.621 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.714 -7.198 3.864 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.434 -4.639 2.943 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.204 -8.694 5.091 1.00 0.23 H new ATOM 0 HE2 PHE A 17 7.926 -6.125 4.187 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.806 -8.156 5.265 1.00 0.25 H new ATOM 245 N SER A 18 14.305 -6.676 1.323 1.00 0.22 N ATOM 246 CA SER A 18 15.041 -7.927 1.283 1.00 0.26 C ATOM 247 C SER A 18 14.323 -9.011 2.084 1.00 0.30 C ATOM 248 O SER A 18 14.254 -8.949 3.313 1.00 0.30 O ATOM 249 CB SER A 18 16.453 -7.704 1.828 1.00 0.29 C ATOM 250 OG SER A 18 16.423 -7.039 3.083 1.00 1.04 O ATOM 0 H SER A 18 14.858 -5.875 1.628 1.00 0.22 H new ATOM 0 HA SER A 18 15.103 -8.266 0.249 1.00 0.26 H new ATOM 0 HB2 SER A 18 16.960 -8.663 1.934 1.00 0.29 H new ATOM 0 HB3 SER A 18 17.031 -7.115 1.116 1.00 0.29 H new ATOM 0 HG SER A 18 16.282 -6.080 2.942 1.00 1.04 H new ATOM 256 N GLY A 19 13.775 -9.997 1.383 1.00 0.35 N ATOM 257 CA GLY A 19 13.097 -11.078 2.057 1.00 0.45 C ATOM 258 C GLY A 19 11.585 -10.988 1.969 1.00 0.42 C ATOM 259 O GLY A 19 10.887 -11.733 2.655 1.00 0.53 O ATOM 0 H GLY A 19 13.790 -10.064 0.365 1.00 0.35 H new ATOM 0 HA2 GLY A 19 13.423 -12.025 1.628 1.00 0.45 H new ATOM 0 HA3 GLY A 19 13.393 -11.085 3.106 1.00 0.45 H new ATOM 263 N SER A 20 11.062 -10.089 1.135 1.00 0.34 N ATOM 264 CA SER A 20 9.624 -9.852 1.087 1.00 0.41 C ATOM 265 C SER A 20 8.908 -10.901 0.228 1.00 0.40 C ATOM 266 O SER A 20 8.075 -10.556 -0.614 1.00 0.45 O ATOM 267 CB SER A 20 9.363 -8.444 0.549 1.00 0.51 C ATOM 268 OG SER A 20 10.017 -8.240 -0.694 1.00 0.70 O ATOM 0 H SER A 20 11.609 -9.519 0.490 1.00 0.34 H new ATOM 0 HA SER A 20 9.223 -9.937 2.097 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.291 -8.291 0.428 1.00 0.51 H new ATOM 0 HB3 SER A 20 9.711 -7.706 1.271 1.00 0.51 H new ATOM 0 HG SER A 20 10.945 -7.968 -0.535 1.00 0.70 H new ATOM 274 N ARG A 21 9.257 -12.177 0.446 1.00 0.43 N ATOM 275 CA ARG A 21 8.723 -13.319 -0.321 1.00 0.49 C ATOM 276 C ARG A 21 9.231 -13.307 -1.765 1.00 0.51 C ATOM 277 O ARG A 21 9.528 -14.350 -2.347 1.00 0.60 O ATOM 278 CB ARG A 21 7.188 -13.319 -0.294 1.00 0.58 C ATOM 279 CG ARG A 21 6.560 -14.335 -1.227 1.00 1.25 C ATOM 280 CD ARG A 21 5.049 -14.217 -1.241 1.00 1.25 C ATOM 281 NE ARG A 21 4.469 -14.897 -2.392 1.00 2.28 N ATOM 282 CZ ARG A 21 3.215 -14.729 -2.807 1.00 2.47 C ATOM 283 NH1 ARG A 21 2.367 -13.984 -2.108 1.00 1.89 N ATOM 284 NH2 ARG A 21 2.805 -15.328 -3.916 1.00 3.49 N ATOM 0 H ARG A 21 9.925 -12.451 1.167 1.00 0.43 H new ATOM 0 HA ARG A 21 9.081 -14.233 0.154 1.00 0.49 H new ATOM 0 HB2 ARG A 21 6.852 -13.518 0.724 1.00 0.58 H new ATOM 0 HB3 ARG A 21 6.829 -12.325 -0.560 1.00 0.58 H new ATOM 0 HG2 ARG A 21 6.947 -14.192 -2.236 1.00 1.25 H new ATOM 0 HG3 ARG A 21 6.845 -15.340 -0.917 1.00 1.25 H new ATOM 0 HD2 ARG A 21 4.642 -14.642 -0.323 1.00 1.25 H new ATOM 0 HD3 ARG A 21 4.766 -13.165 -1.258 1.00 1.25 H new ATOM 0 HE ARG A 21 5.062 -15.543 -2.913 1.00 2.28 H new ATOM 0 HH11 ARG A 21 2.674 -13.535 -1.245 1.00 1.89 H new ATOM 0 HH12 ARG A 21 1.408 -13.861 -2.434 1.00 1.89 H new ATOM 0 HH21 ARG A 21 3.449 -15.914 -4.447 1.00 3.49 H new ATOM 0 HH22 ARG A 21 1.845 -15.203 -4.238 1.00 3.49 H new ATOM 298 N ASN A 22 9.347 -12.117 -2.315 1.00 0.51 N ATOM 299 CA ASN A 22 9.897 -11.899 -3.635 1.00 0.62 C ATOM 300 C ASN A 22 10.441 -10.478 -3.680 1.00 0.58 C ATOM 301 O ASN A 22 9.742 -9.528 -3.318 1.00 0.64 O ATOM 302 CB ASN A 22 8.833 -12.133 -4.725 1.00 0.87 C ATOM 303 CG ASN A 22 7.659 -11.169 -4.656 1.00 0.93 C ATOM 304 OD1 ASN A 22 7.659 -10.123 -5.303 1.00 1.77 O ATOM 305 ND2 ASN A 22 6.640 -11.524 -3.887 1.00 0.80 N ATOM 0 H ASN A 22 9.056 -11.258 -1.848 1.00 0.51 H new ATOM 0 HA ASN A 22 10.700 -12.609 -3.833 1.00 0.62 H new ATOM 0 HB2 ASN A 22 9.305 -12.047 -5.704 1.00 0.87 H new ATOM 0 HB3 ASN A 22 8.458 -13.153 -4.641 1.00 0.87 H new ATOM 0 HD21 ASN A 22 5.820 -10.922 -3.817 1.00 0.80 H new ATOM 0 HD22 ASN A 22 6.676 -12.399 -3.365 1.00 0.80 H new ATOM 312 N PRO A 23 11.709 -10.314 -4.065 1.00 0.55 N ATOM 313 CA PRO A 23 12.366 -9.015 -4.046 1.00 0.61 C ATOM 314 C PRO A 23 12.032 -8.189 -5.297 1.00 0.79 C ATOM 315 O PRO A 23 11.016 -8.433 -5.944 1.00 1.71 O ATOM 316 CB PRO A 23 13.843 -9.402 -4.001 1.00 0.66 C ATOM 317 CG PRO A 23 13.912 -10.658 -4.797 1.00 0.73 C ATOM 318 CD PRO A 23 12.606 -11.377 -4.558 1.00 0.57 C ATOM 0 HA PRO A 23 12.055 -8.382 -3.215 1.00 0.61 H new ATOM 0 HB2 PRO A 23 14.473 -8.623 -4.430 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.183 -9.559 -2.977 1.00 0.66 H new ATOM 0 HG2 PRO A 23 14.049 -10.441 -5.856 1.00 0.73 H new ATOM 0 HG3 PRO A 23 14.757 -11.271 -4.485 1.00 0.73 H new ATOM 0 HD2 PRO A 23 12.225 -11.831 -5.473 1.00 0.57 H new ATOM 0 HD3 PRO A 23 12.717 -12.178 -3.827 1.00 0.57 H new ATOM 326 N VAL A 24 12.910 -7.244 -5.639 1.00 0.39 N ATOM 327 CA VAL A 24 12.680 -6.279 -6.726 1.00 0.36 C ATOM 328 C VAL A 24 11.433 -5.425 -6.471 1.00 0.32 C ATOM 329 O VAL A 24 10.311 -5.927 -6.440 1.00 0.35 O ATOM 330 CB VAL A 24 12.555 -6.948 -8.115 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.331 -5.893 -9.202 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.793 -7.778 -8.420 1.00 0.48 C ATOM 0 H VAL A 24 13.807 -7.123 -5.169 1.00 0.39 H new ATOM 0 HA VAL A 24 13.565 -5.642 -6.734 1.00 0.36 H new ATOM 0 HB VAL A 24 11.691 -7.613 -8.101 1.00 0.42 H new ATOM 0 HG11 VAL A 24 12.246 -6.383 -10.172 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.414 -5.342 -8.991 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.174 -5.202 -9.217 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.688 -8.241 -9.401 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.673 -7.134 -8.415 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.907 -8.554 -7.663 1.00 0.48 H new ATOM 342 N SER A 25 11.649 -4.135 -6.272 1.00 0.32 N ATOM 343 CA SER A 25 10.561 -3.190 -6.062 1.00 0.32 C ATOM 344 C SER A 25 10.326 -2.384 -7.336 1.00 0.32 C ATOM 345 O SER A 25 11.209 -2.310 -8.185 1.00 0.36 O ATOM 346 CB SER A 25 10.922 -2.248 -4.910 1.00 0.42 C ATOM 347 OG SER A 25 9.847 -1.381 -4.592 1.00 1.12 O ATOM 0 H SER A 25 12.578 -3.714 -6.251 1.00 0.32 H new ATOM 0 HA SER A 25 9.650 -3.734 -5.813 1.00 0.32 H new ATOM 0 HB2 SER A 25 11.191 -2.833 -4.031 1.00 0.42 H new ATOM 0 HB3 SER A 25 11.798 -1.659 -5.181 1.00 0.42 H new ATOM 0 HG SER A 25 10.045 -0.907 -3.757 1.00 1.12 H new ATOM 353 N ARG A 26 9.144 -1.783 -7.477 1.00 0.32 N ATOM 354 CA ARG A 26 8.924 -0.811 -8.553 1.00 0.34 C ATOM 355 C ARG A 26 9.613 0.494 -8.190 1.00 0.37 C ATOM 356 O ARG A 26 9.776 1.381 -9.023 1.00 0.44 O ATOM 357 CB ARG A 26 7.435 -0.565 -8.834 1.00 0.39 C ATOM 358 CG ARG A 26 6.811 -1.586 -9.786 1.00 0.52 C ATOM 359 CD ARG A 26 7.104 -3.012 -9.350 1.00 0.82 C ATOM 360 NE ARG A 26 6.848 -3.995 -10.398 1.00 1.21 N ATOM 361 CZ ARG A 26 7.158 -5.289 -10.286 1.00 1.88 C ATOM 362 NH1 ARG A 26 7.681 -5.752 -9.159 1.00 2.47 N ATOM 363 NH2 ARG A 26 6.936 -6.120 -11.296 1.00 2.54 N ATOM 0 H ARG A 26 8.338 -1.946 -6.874 1.00 0.32 H new ATOM 0 HA ARG A 26 9.349 -1.224 -9.468 1.00 0.34 H new ATOM 0 HB2 ARG A 26 6.889 -0.580 -7.891 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.314 0.433 -9.256 1.00 0.39 H new ATOM 0 HG2 ARG A 26 5.733 -1.433 -9.829 1.00 0.52 H new ATOM 0 HG3 ARG A 26 7.196 -1.427 -10.793 1.00 0.52 H new ATOM 0 HD2 ARG A 26 8.146 -3.084 -9.040 1.00 0.82 H new ATOM 0 HD3 ARG A 26 6.495 -3.252 -8.479 1.00 0.82 H new ATOM 0 HE ARG A 26 6.409 -3.677 -11.262 1.00 1.21 H new ATOM 0 HH11 ARG A 26 7.847 -5.120 -8.376 1.00 2.47 H new ATOM 0 HH12 ARG A 26 7.917 -6.741 -9.075 1.00 2.47 H new ATOM 0 HH21 ARG A 26 6.527 -5.771 -12.163 1.00 2.54 H new ATOM 0 HH22 ARG A 26 7.174 -7.108 -11.206 1.00 2.54 H new ATOM 377 N ARG A 27 10.018 0.589 -6.929 1.00 0.36 N ATOM 378 CA ARG A 27 10.802 1.713 -6.454 1.00 0.44 C ATOM 379 C ARG A 27 12.218 1.605 -7.006 1.00 0.53 C ATOM 380 O ARG A 27 12.754 2.551 -7.579 1.00 0.73 O ATOM 381 CB ARG A 27 10.831 1.710 -4.920 1.00 0.52 C ATOM 382 CG ARG A 27 10.813 3.090 -4.279 1.00 0.55 C ATOM 383 CD ARG A 27 12.183 3.755 -4.221 1.00 0.70 C ATOM 384 NE ARG A 27 12.561 4.358 -5.497 1.00 0.91 N ATOM 385 CZ ARG A 27 13.583 5.198 -5.652 1.00 1.12 C ATOM 386 NH1 ARG A 27 14.359 5.510 -4.623 1.00 1.77 N ATOM 387 NH2 ARG A 27 13.832 5.715 -6.847 1.00 1.63 N ATOM 0 H ARG A 27 9.812 -0.109 -6.214 1.00 0.36 H new ATOM 0 HA ARG A 27 10.353 2.646 -6.795 1.00 0.44 H new ATOM 0 HB2 ARG A 27 9.974 1.144 -4.555 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.725 1.182 -4.588 1.00 0.52 H new ATOM 0 HG2 ARG A 27 10.131 3.731 -4.837 1.00 0.55 H new ATOM 0 HG3 ARG A 27 10.416 3.006 -3.267 1.00 0.55 H new ATOM 0 HD2 ARG A 27 12.180 4.522 -3.446 1.00 0.70 H new ATOM 0 HD3 ARG A 27 12.931 3.016 -3.935 1.00 0.70 H new ATOM 0 HE ARG A 27 12.008 4.121 -6.320 1.00 0.91 H new ATOM 0 HH11 ARG A 27 14.175 5.106 -3.705 1.00 1.77 H new ATOM 0 HH12 ARG A 27 15.140 6.154 -4.750 1.00 1.77 H new ATOM 0 HH21 ARG A 27 13.242 5.469 -7.642 1.00 1.63 H new ATOM 0 HH22 ARG A 27 14.613 6.359 -6.971 1.00 1.63 H new ATOM 401 N THR A 28 12.803 0.430 -6.845 1.00 0.45 N ATOM 402 CA THR A 28 14.169 0.187 -7.269 1.00 0.53 C ATOM 403 C THR A 28 14.229 -0.204 -8.737 1.00 0.55 C ATOM 404 O THR A 28 15.182 0.115 -9.444 1.00 0.67 O ATOM 405 CB THR A 28 14.791 -0.940 -6.425 1.00 0.55 C ATOM 406 OG1 THR A 28 13.980 -2.125 -6.514 1.00 0.55 O ATOM 407 CG2 THR A 28 14.896 -0.518 -4.976 1.00 0.53 C ATOM 0 H THR A 28 12.347 -0.377 -6.419 1.00 0.45 H new ATOM 0 HA THR A 28 14.729 1.111 -7.128 1.00 0.53 H new ATOM 0 HB THR A 28 15.789 -1.148 -6.811 1.00 0.55 H new ATOM 0 HG1 THR A 28 14.459 -2.812 -7.023 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.338 -1.326 -4.393 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.524 0.370 -4.900 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.902 -0.293 -4.590 1.00 0.53 H new ATOM 415 N GLY A 29 13.204 -0.915 -9.175 1.00 0.47 N ATOM 416 CA GLY A 29 13.148 -1.423 -10.537 1.00 0.52 C ATOM 417 C GLY A 29 13.963 -2.687 -10.688 1.00 0.58 C ATOM 418 O GLY A 29 13.605 -3.588 -11.448 1.00 0.82 O ATOM 0 H GLY A 29 12.394 -1.155 -8.604 1.00 0.47 H new ATOM 0 HA2 GLY A 29 12.112 -1.622 -10.811 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.520 -0.664 -11.226 1.00 0.52 H new ATOM 422 N ASP A 30 15.060 -2.742 -9.959 1.00 0.53 N ATOM 423 CA ASP A 30 15.875 -3.928 -9.868 1.00 0.58 C ATOM 424 C ASP A 30 15.816 -4.441 -8.437 1.00 0.55 C ATOM 425 O ASP A 30 14.752 -4.446 -7.823 1.00 0.84 O ATOM 426 CB ASP A 30 17.317 -3.625 -10.296 1.00 0.67 C ATOM 427 CG ASP A 30 17.446 -3.411 -11.789 1.00 1.31 C ATOM 428 OD1 ASP A 30 17.187 -2.281 -12.249 1.00 1.69 O ATOM 429 OD2 ASP A 30 17.797 -4.366 -12.513 1.00 2.10 O ATOM 0 H ASP A 30 15.410 -1.957 -9.410 1.00 0.53 H new ATOM 0 HA ASP A 30 15.497 -4.697 -10.542 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.668 -2.736 -9.773 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.963 -4.449 -9.993 1.00 0.67 H new ATOM 434 N SER A 31 16.952 -4.807 -7.885 1.00 0.53 N ATOM 435 CA SER A 31 16.994 -5.481 -6.604 1.00 0.50 C ATOM 436 C SER A 31 16.629 -4.561 -5.442 1.00 0.42 C ATOM 437 O SER A 31 16.971 -3.381 -5.429 1.00 0.48 O ATOM 438 CB SER A 31 18.385 -6.072 -6.401 1.00 0.62 C ATOM 439 OG SER A 31 19.371 -5.281 -7.050 1.00 1.08 O ATOM 0 H SER A 31 17.867 -4.648 -8.307 1.00 0.53 H new ATOM 0 HA SER A 31 16.245 -6.273 -6.615 1.00 0.50 H new ATOM 0 HB2 SER A 31 18.606 -6.134 -5.336 1.00 0.62 H new ATOM 0 HB3 SER A 31 18.413 -7.089 -6.792 1.00 0.62 H new ATOM 0 HG SER A 31 19.521 -5.623 -7.956 1.00 1.08 H new ATOM 445 N THR A 32 15.909 -5.120 -4.481 1.00 0.34 N ATOM 446 CA THR A 32 15.563 -4.412 -3.255 1.00 0.29 C ATOM 447 C THR A 32 16.039 -5.220 -2.049 1.00 0.27 C ATOM 448 O THR A 32 15.645 -4.972 -0.910 1.00 0.28 O ATOM 449 CB THR A 32 14.040 -4.135 -3.158 1.00 0.27 C ATOM 450 OG1 THR A 32 13.725 -3.384 -1.986 1.00 0.27 O ATOM 451 CG2 THR A 32 13.247 -5.427 -3.144 1.00 0.29 C ATOM 0 H THR A 32 15.549 -6.073 -4.527 1.00 0.34 H new ATOM 0 HA THR A 32 16.064 -3.444 -3.267 1.00 0.29 H new ATOM 0 HB THR A 32 13.767 -3.556 -4.040 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.759 -3.222 -1.951 1.00 0.27 H new ATOM 0 HG21 THR A 32 12.183 -5.200 -3.075 1.00 0.29 H new ATOM 0 HG22 THR A 32 13.441 -5.983 -4.061 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.546 -6.028 -2.285 1.00 0.29 H new ATOM 459 N ALA A 33 16.901 -6.193 -2.322 1.00 0.31 N ATOM 460 CA ALA A 33 17.494 -7.026 -1.282 1.00 0.32 C ATOM 461 C ALA A 33 18.466 -6.227 -0.406 1.00 0.34 C ATOM 462 O ALA A 33 19.011 -6.741 0.570 1.00 0.37 O ATOM 463 CB ALA A 33 18.195 -8.221 -1.903 1.00 0.37 C ATOM 0 H ALA A 33 17.208 -6.426 -3.266 1.00 0.31 H new ATOM 0 HA ALA A 33 16.689 -7.382 -0.639 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.633 -8.835 -1.116 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.474 -8.813 -2.466 1.00 0.37 H new ATOM 0 HB3 ALA A 33 18.982 -7.874 -2.573 1.00 0.37 H new ATOM 469 N ASP A 34 18.680 -4.973 -0.772 1.00 0.35 N ATOM 470 CA ASP A 34 19.610 -4.102 -0.062 1.00 0.40 C ATOM 471 C ASP A 34 18.907 -3.373 1.076 1.00 0.36 C ATOM 472 O ASP A 34 19.537 -2.974 2.056 1.00 0.43 O ATOM 473 CB ASP A 34 20.214 -3.078 -1.026 1.00 0.49 C ATOM 474 CG ASP A 34 20.876 -3.726 -2.221 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.043 -4.149 -2.105 1.00 1.31 O ATOM 476 OD2 ASP A 34 20.227 -3.821 -3.288 1.00 2.21 O ATOM 0 H ASP A 34 18.217 -4.530 -1.566 1.00 0.35 H new ATOM 0 HA ASP A 34 20.404 -4.722 0.354 1.00 0.40 H new ATOM 0 HB2 ASP A 34 19.431 -2.403 -1.371 1.00 0.49 H new ATOM 0 HB3 ASP A 34 20.947 -2.471 -0.494 1.00 0.49 H new ATOM 481 N VAL A 35 17.600 -3.211 0.944 1.00 0.31 N ATOM 482 CA VAL A 35 16.801 -2.515 1.947 1.00 0.28 C ATOM 483 C VAL A 35 16.076 -3.524 2.838 1.00 0.25 C ATOM 484 O VAL A 35 15.620 -4.563 2.363 1.00 0.25 O ATOM 485 CB VAL A 35 15.797 -1.520 1.288 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.482 -1.928 -0.145 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.506 -1.404 2.090 1.00 0.26 C ATOM 0 H VAL A 35 17.064 -3.554 0.147 1.00 0.31 H new ATOM 0 HA VAL A 35 17.474 -1.926 2.569 1.00 0.28 H new ATOM 0 HB VAL A 35 16.280 -0.543 1.279 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.780 -1.217 -0.580 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.401 -1.936 -0.731 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.040 -2.924 -0.151 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.834 -0.702 1.598 1.00 0.26 H new ATOM 0 HG22 VAL A 35 14.027 -2.381 2.153 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.732 -1.046 3.094 1.00 0.26 H new ATOM 497 N THR A 36 15.989 -3.224 4.128 1.00 0.25 N ATOM 498 CA THR A 36 15.392 -4.136 5.088 1.00 0.27 C ATOM 499 C THR A 36 13.953 -3.743 5.359 1.00 0.23 C ATOM 500 O THR A 36 13.506 -2.706 4.874 1.00 0.20 O ATOM 501 CB THR A 36 16.170 -4.126 6.416 1.00 0.31 C ATOM 502 OG1 THR A 36 16.279 -2.781 6.899 1.00 0.30 O ATOM 503 CG2 THR A 36 17.555 -4.728 6.242 1.00 0.39 C ATOM 0 H THR A 36 16.327 -2.351 4.532 1.00 0.25 H new ATOM 0 HA THR A 36 15.429 -5.138 4.661 1.00 0.27 H new ATOM 0 HB THR A 36 15.625 -4.732 7.140 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.773 -2.776 7.745 1.00 0.30 H new ATOM 0 HG21 THR A 36 18.083 -4.708 7.196 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.463 -5.759 5.899 1.00 0.39 H new ATOM 0 HG23 THR A 36 18.113 -4.149 5.506 1.00 0.39 H new ATOM 511 N TYR A 37 13.226 -4.535 6.134 1.00 0.26 N ATOM 512 CA TYR A 37 11.855 -4.175 6.464 1.00 0.27 C ATOM 513 C TYR A 37 11.849 -2.885 7.279 1.00 0.23 C ATOM 514 O TYR A 37 10.899 -2.113 7.227 1.00 0.23 O ATOM 515 CB TYR A 37 11.133 -5.310 7.212 1.00 0.38 C ATOM 516 CG TYR A 37 11.407 -5.386 8.698 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.539 -6.020 9.194 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.513 -4.835 9.608 1.00 1.16 C ATOM 519 CE1 TYR A 37 12.772 -6.100 10.555 1.00 0.74 C ATOM 520 CE2 TYR A 37 10.741 -4.907 10.967 1.00 1.53 C ATOM 521 CZ TYR A 37 11.870 -5.540 11.435 1.00 1.12 C ATOM 522 OH TYR A 37 12.097 -5.617 12.790 1.00 1.50 O ATOM 0 H TYR A 37 13.553 -5.412 6.538 1.00 0.26 H new ATOM 0 HA TYR A 37 11.307 -4.012 5.536 1.00 0.27 H new ATOM 0 HB2 TYR A 37 10.059 -5.195 7.063 1.00 0.38 H new ATOM 0 HB3 TYR A 37 11.417 -6.259 6.758 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.248 -6.457 8.506 1.00 0.68 H new ATOM 0 HD2 TYR A 37 9.624 -4.341 9.245 1.00 1.16 H new ATOM 0 HE1 TYR A 37 13.655 -6.598 10.926 1.00 0.74 H new ATOM 0 HE2 TYR A 37 10.037 -4.469 11.660 1.00 1.53 H new ATOM 0 HH TYR A 37 11.367 -5.172 13.270 1.00 1.50 H new ATOM 532 N GLU A 38 12.945 -2.639 7.992 1.00 0.23 N ATOM 533 CA GLU A 38 13.089 -1.433 8.793 1.00 0.24 C ATOM 534 C GLU A 38 13.265 -0.215 7.897 1.00 0.24 C ATOM 535 O GLU A 38 12.616 0.813 8.096 1.00 0.26 O ATOM 536 CB GLU A 38 14.283 -1.560 9.739 1.00 0.29 C ATOM 537 CG GLU A 38 14.137 -2.668 10.764 1.00 0.35 C ATOM 538 CD GLU A 38 15.347 -2.782 11.666 1.00 0.67 C ATOM 539 OE1 GLU A 38 15.577 -1.863 12.478 1.00 0.93 O ATOM 540 OE2 GLU A 38 16.082 -3.788 11.562 1.00 0.96 O ATOM 0 H GLU A 38 13.749 -3.265 8.029 1.00 0.23 H new ATOM 0 HA GLU A 38 12.182 -1.306 9.384 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.183 -1.738 9.151 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.425 -0.613 10.259 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.251 -2.483 11.371 1.00 0.35 H new ATOM 0 HG3 GLU A 38 13.979 -3.616 10.250 1.00 0.35 H new ATOM 547 N ASP A 39 14.134 -0.338 6.897 1.00 0.24 N ATOM 548 CA ASP A 39 14.357 0.750 5.948 1.00 0.26 C ATOM 549 C ASP A 39 13.130 0.919 5.064 1.00 0.22 C ATOM 550 O ASP A 39 12.809 2.017 4.615 1.00 0.23 O ATOM 551 CB ASP A 39 15.569 0.479 5.074 1.00 0.31 C ATOM 552 CG ASP A 39 16.278 1.750 4.656 1.00 0.61 C ATOM 553 OD1 ASP A 39 15.675 2.568 3.935 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.447 1.936 5.048 1.00 0.82 O ATOM 0 H ASP A 39 14.692 -1.174 6.723 1.00 0.24 H new ATOM 0 HA ASP A 39 14.538 1.662 6.517 1.00 0.26 H new ATOM 0 HB2 ASP A 39 16.266 -0.162 5.614 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.257 -0.068 4.185 1.00 0.31 H new ATOM 559 N ALA A 40 12.452 -0.190 4.823 1.00 0.19 N ATOM 560 CA ALA A 40 11.204 -0.182 4.073 1.00 0.18 C ATOM 561 C ALA A 40 10.121 0.549 4.855 1.00 0.16 C ATOM 562 O ALA A 40 9.349 1.325 4.291 1.00 0.17 O ATOM 563 CB ALA A 40 10.764 -1.601 3.755 1.00 0.18 C ATOM 0 H ALA A 40 12.746 -1.115 5.138 1.00 0.19 H new ATOM 0 HA ALA A 40 11.369 0.345 3.133 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.830 -1.575 3.194 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.531 -2.095 3.159 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.615 -2.152 4.683 1.00 0.18 H new ATOM 569 N ILE A 41 10.063 0.301 6.160 1.00 0.16 N ATOM 570 CA ILE A 41 9.163 1.045 7.029 1.00 0.18 C ATOM 571 C ILE A 41 9.578 2.506 7.058 1.00 0.20 C ATOM 572 O ILE A 41 8.736 3.397 7.125 1.00 0.21 O ATOM 573 CB ILE A 41 9.128 0.470 8.469 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.479 -0.916 8.472 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.381 1.403 9.415 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.488 -1.597 9.823 1.00 0.30 C ATOM 0 H ILE A 41 10.625 -0.405 6.635 1.00 0.16 H new ATOM 0 HA ILE A 41 8.156 0.952 6.623 1.00 0.18 H new ATOM 0 HB ILE A 41 10.156 0.381 8.822 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.448 -0.824 8.130 1.00 0.24 H new ATOM 0 HG13 ILE A 41 8.998 -1.550 7.753 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.372 0.974 10.417 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.879 2.372 9.439 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.356 1.531 9.066 1.00 0.27 H new ATOM 0 HD11 ILE A 41 8.010 -2.573 9.741 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.517 -1.723 10.160 1.00 0.30 H new ATOM 0 HD13 ILE A 41 7.943 -0.986 10.542 1.00 0.30 H new ATOM 588 N LYS A 42 10.881 2.744 6.951 1.00 0.22 N ATOM 589 CA LYS A 42 11.406 4.098 6.883 1.00 0.28 C ATOM 590 C LYS A 42 10.847 4.812 5.661 1.00 0.28 C ATOM 591 O LYS A 42 10.685 6.028 5.652 1.00 0.37 O ATOM 592 CB LYS A 42 12.933 4.076 6.811 1.00 0.31 C ATOM 593 CG LYS A 42 13.567 5.459 6.757 1.00 0.85 C ATOM 594 CD LYS A 42 15.056 5.388 6.457 1.00 1.14 C ATOM 595 CE LYS A 42 15.375 5.880 5.049 1.00 1.46 C ATOM 596 NZ LYS A 42 14.761 5.030 3.993 1.00 2.32 N ATOM 0 H LYS A 42 11.592 2.014 6.910 1.00 0.22 H new ATOM 0 HA LYS A 42 11.103 4.632 7.784 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.320 3.543 7.679 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.237 3.513 5.929 1.00 0.31 H new ATOM 0 HG2 LYS A 42 13.071 6.056 5.992 1.00 0.85 H new ATOM 0 HG3 LYS A 42 13.412 5.967 7.709 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.602 5.989 7.184 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.401 4.360 6.569 1.00 1.14 H new ATOM 0 HE2 LYS A 42 15.021 6.905 4.937 1.00 1.46 H new ATOM 0 HE3 LYS A 42 16.456 5.900 4.911 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 15.142 5.301 3.064 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 14.982 4.031 4.180 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 13.730 5.163 3.996 1.00 2.32 H new ATOM 610 N GLU A 43 10.532 4.031 4.643 1.00 0.22 N ATOM 611 CA GLU A 43 10.016 4.566 3.400 1.00 0.25 C ATOM 612 C GLU A 43 8.515 4.753 3.514 1.00 0.18 C ATOM 613 O GLU A 43 7.988 5.845 3.294 1.00 0.18 O ATOM 614 CB GLU A 43 10.333 3.617 2.240 1.00 0.33 C ATOM 615 CG GLU A 43 9.843 4.123 0.891 1.00 0.34 C ATOM 616 CD GLU A 43 10.918 4.867 0.123 1.00 0.55 C ATOM 617 OE1 GLU A 43 12.112 4.542 0.295 1.00 1.02 O ATOM 618 OE2 GLU A 43 10.576 5.779 -0.656 1.00 0.94 O ATOM 0 H GLU A 43 10.626 3.015 4.656 1.00 0.22 H new ATOM 0 HA GLU A 43 10.490 5.528 3.204 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.411 3.462 2.192 1.00 0.33 H new ATOM 0 HB3 GLU A 43 9.880 2.646 2.441 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.494 3.279 0.295 1.00 0.34 H new ATOM 0 HG3 GLU A 43 8.988 4.782 1.043 1.00 0.34 H new ATOM 625 N LEU A 44 7.839 3.684 3.908 1.00 0.16 N ATOM 626 CA LEU A 44 6.386 3.672 3.946 1.00 0.15 C ATOM 627 C LEU A 44 5.863 4.675 4.972 1.00 0.14 C ATOM 628 O LEU A 44 4.828 5.303 4.761 1.00 0.16 O ATOM 629 CB LEU A 44 5.865 2.266 4.264 1.00 0.13 C ATOM 630 CG LEU A 44 4.362 2.064 4.036 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.011 2.298 2.580 1.00 0.17 C ATOM 632 CD2 LEU A 44 3.935 0.669 4.450 1.00 0.14 C ATOM 0 H LEU A 44 8.276 2.812 4.206 1.00 0.16 H new ATOM 0 HA LEU A 44 6.020 3.963 2.961 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.410 1.546 3.653 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.093 2.037 5.305 1.00 0.13 H new ATOM 0 HG LEU A 44 3.828 2.788 4.652 1.00 0.15 H new ATOM 0 HD11 LEU A 44 2.941 2.151 2.436 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.278 3.317 2.301 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.562 1.595 1.955 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.865 0.550 4.279 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.481 -0.068 3.861 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.152 0.521 5.508 1.00 0.14 H new ATOM 644 N GLN A 45 6.604 4.843 6.065 1.00 0.14 N ATOM 645 CA GLN A 45 6.200 5.749 7.140 1.00 0.14 C ATOM 646 C GLN A 45 6.303 7.208 6.721 1.00 0.17 C ATOM 647 O GLN A 45 5.690 8.078 7.340 1.00 0.27 O ATOM 648 CB GLN A 45 7.033 5.500 8.397 1.00 0.16 C ATOM 649 CG GLN A 45 6.386 4.524 9.364 1.00 0.22 C ATOM 650 CD GLN A 45 5.388 5.198 10.285 1.00 0.36 C ATOM 651 OE1 GLN A 45 5.744 5.677 11.360 1.00 0.87 O ATOM 652 NE2 GLN A 45 4.131 5.239 9.877 1.00 0.44 N ATOM 0 H GLN A 45 7.489 4.363 6.231 1.00 0.14 H new ATOM 0 HA GLN A 45 5.153 5.541 7.361 1.00 0.14 H new ATOM 0 HB2 GLN A 45 8.011 5.117 8.106 1.00 0.16 H new ATOM 0 HB3 GLN A 45 7.201 6.449 8.907 1.00 0.16 H new ATOM 0 HG2 GLN A 45 5.883 3.738 8.800 1.00 0.22 H new ATOM 0 HG3 GLN A 45 7.160 4.042 9.962 1.00 0.22 H new ATOM 0 HE21 GLN A 45 3.873 4.831 8.979 1.00 0.44 H new ATOM 0 HE22 GLN A 45 3.419 5.679 10.461 1.00 0.44 H new ATOM 661 N LYS A 46 7.079 7.481 5.683 1.00 0.14 N ATOM 662 CA LYS A 46 7.164 8.830 5.149 1.00 0.17 C ATOM 663 C LYS A 46 6.023 9.070 4.180 1.00 0.18 C ATOM 664 O LYS A 46 5.353 10.095 4.238 1.00 0.21 O ATOM 665 CB LYS A 46 8.491 9.065 4.424 1.00 0.22 C ATOM 666 CG LYS A 46 9.719 8.934 5.303 1.00 0.27 C ATOM 667 CD LYS A 46 10.989 9.146 4.495 1.00 0.39 C ATOM 668 CE LYS A 46 12.238 8.863 5.314 1.00 0.49 C ATOM 669 NZ LYS A 46 12.385 9.797 6.459 1.00 1.31 N ATOM 0 H LYS A 46 7.654 6.792 5.198 1.00 0.14 H new ATOM 0 HA LYS A 46 7.101 9.523 5.988 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.571 8.355 3.601 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.479 10.062 3.985 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.672 9.663 6.112 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.737 7.947 5.765 1.00 0.27 H new ATOM 0 HD2 LYS A 46 10.975 8.497 3.620 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.020 10.173 4.130 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.202 7.839 5.686 1.00 0.49 H new ATOM 0 HE3 LYS A 46 13.116 8.938 4.672 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 13.276 9.598 6.957 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 12.395 10.776 6.109 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.587 9.672 7.114 1.00 1.31 H new ATOM 683 N TRP A 47 5.808 8.118 3.284 1.00 0.16 N ATOM 684 CA TRP A 47 4.743 8.226 2.304 1.00 0.19 C ATOM 685 C TRP A 47 3.372 8.252 2.960 1.00 0.19 C ATOM 686 O TRP A 47 2.570 9.130 2.661 1.00 0.22 O ATOM 687 CB TRP A 47 4.859 7.106 1.273 1.00 0.20 C ATOM 688 CG TRP A 47 6.150 7.201 0.533 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.115 6.241 0.406 1.00 0.18 C ATOM 690 CD2 TRP A 47 6.641 8.359 -0.149 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.173 6.742 -0.307 1.00 0.24 N ATOM 692 CE2 TRP A 47 7.904 8.036 -0.659 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.131 9.643 -0.379 1.00 0.41 C ATOM 694 CZ2 TRP A 47 8.668 8.943 -1.379 1.00 0.43 C ATOM 695 CZ3 TRP A 47 6.891 10.542 -1.097 1.00 0.52 C ATOM 696 CH2 TRP A 47 8.149 10.188 -1.590 1.00 0.52 C ATOM 0 H TRP A 47 6.359 7.262 3.217 1.00 0.16 H new ATOM 0 HA TRP A 47 4.854 9.178 1.785 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.790 6.139 1.771 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.027 7.164 0.571 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.053 5.240 0.807 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.025 6.231 -0.538 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.159 9.924 -0.001 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 9.642 8.673 -1.760 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 6.508 11.535 -1.281 1.00 0.52 H new ATOM 0 HH2 TRP A 47 8.722 10.913 -2.149 1.00 0.52 H new ATOM 707 N SER A 48 3.112 7.332 3.883 1.00 0.17 N ATOM 708 CA SER A 48 1.835 7.328 4.584 1.00 0.19 C ATOM 709 C SER A 48 1.699 8.593 5.431 1.00 0.20 C ATOM 710 O SER A 48 0.594 8.998 5.789 1.00 0.28 O ATOM 711 CB SER A 48 1.676 6.064 5.445 1.00 0.23 C ATOM 712 OG SER A 48 2.633 5.995 6.492 1.00 0.82 O ATOM 0 H SER A 48 3.757 6.592 4.159 1.00 0.17 H new ATOM 0 HA SER A 48 1.035 7.318 3.844 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.673 6.043 5.872 1.00 0.23 H new ATOM 0 HB3 SER A 48 1.771 5.182 4.811 1.00 0.23 H new ATOM 0 HG SER A 48 3.508 5.759 6.120 1.00 0.82 H new ATOM 718 N GLN A 49 2.832 9.222 5.733 1.00 0.17 N ATOM 719 CA GLN A 49 2.838 10.485 6.455 1.00 0.17 C ATOM 720 C GLN A 49 2.470 11.623 5.516 1.00 0.18 C ATOM 721 O GLN A 49 1.537 12.378 5.778 1.00 0.21 O ATOM 722 CB GLN A 49 4.217 10.770 7.051 1.00 0.19 C ATOM 723 CG GLN A 49 4.182 11.802 8.161 1.00 0.23 C ATOM 724 CD GLN A 49 5.565 12.233 8.602 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.158 11.635 9.498 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.089 13.272 7.972 1.00 0.45 N ATOM 0 H GLN A 49 3.759 8.874 5.487 1.00 0.17 H new ATOM 0 HA GLN A 49 2.108 10.411 7.261 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.638 9.842 7.438 1.00 0.19 H new ATOM 0 HB3 GLN A 49 4.883 11.117 6.261 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.625 12.675 7.822 1.00 0.23 H new ATOM 0 HG3 GLN A 49 3.644 11.392 9.016 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.563 13.740 7.234 1.00 0.45 H new ATOM 0 HE22 GLN A 49 7.019 13.605 8.224 1.00 0.45 H new ATOM 735 N ARG A 50 3.212 11.725 4.417 1.00 0.16 N ATOM 736 CA ARG A 50 3.036 12.804 3.450 1.00 0.16 C ATOM 737 C ARG A 50 1.657 12.754 2.805 1.00 0.14 C ATOM 738 O ARG A 50 1.024 13.788 2.599 1.00 0.15 O ATOM 739 CB ARG A 50 4.104 12.734 2.362 1.00 0.15 C ATOM 740 CG ARG A 50 5.516 12.993 2.845 1.00 0.19 C ATOM 741 CD ARG A 50 6.509 12.821 1.710 1.00 0.20 C ATOM 742 NE ARG A 50 7.886 13.067 2.132 1.00 0.27 N ATOM 743 CZ ARG A 50 8.911 13.196 1.291 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.708 13.175 -0.020 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.136 13.366 1.765 1.00 0.42 N ATOM 0 H ARG A 50 3.950 11.065 4.172 1.00 0.16 H new ATOM 0 HA ARG A 50 3.134 13.743 3.994 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.068 11.748 1.899 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.861 13.460 1.586 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.588 14.003 3.249 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.760 12.307 3.656 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.429 11.810 1.311 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.253 13.504 0.900 1.00 0.20 H new ATOM 0 HE ARG A 50 8.074 13.145 3.132 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.764 13.060 -0.388 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.496 13.274 -0.660 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.293 13.398 2.772 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.922 13.465 1.123 1.00 0.42 H new ATOM 759 N ILE A 51 1.207 11.552 2.472 1.00 0.13 N ATOM 760 CA ILE A 51 -0.126 11.357 1.910 1.00 0.13 C ATOM 761 C ILE A 51 -1.197 11.821 2.899 1.00 0.16 C ATOM 762 O ILE A 51 -2.242 12.346 2.508 1.00 0.20 O ATOM 763 CB ILE A 51 -0.362 9.871 1.542 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.615 9.428 0.448 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.796 9.644 1.088 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.585 7.937 0.177 1.00 0.13 C ATOM 0 H ILE A 51 1.746 10.693 2.581 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.196 11.955 1.001 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.186 9.271 2.435 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.382 9.961 -0.474 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.626 9.716 0.736 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.936 8.593 0.835 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.480 9.918 1.891 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -2.002 10.258 0.211 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.301 7.695 -0.608 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.848 7.397 1.086 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.416 7.645 -0.142 1.00 0.13 H new ATOM 778 N ALA A 52 -0.915 11.645 4.184 1.00 0.16 N ATOM 779 CA ALA A 52 -1.842 12.033 5.234 1.00 0.20 C ATOM 780 C ALA A 52 -1.778 13.536 5.509 1.00 0.22 C ATOM 781 O ALA A 52 -2.794 14.163 5.799 1.00 0.27 O ATOM 782 CB ALA A 52 -1.544 11.248 6.500 1.00 0.21 C ATOM 0 H ALA A 52 -0.046 11.233 4.523 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.853 11.803 4.898 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.242 11.543 7.284 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.651 10.182 6.301 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.525 11.455 6.825 1.00 0.21 H new ATOM 788 N SER A 53 -0.585 14.105 5.407 1.00 0.22 N ATOM 789 CA SER A 53 -0.379 15.515 5.709 1.00 0.26 C ATOM 790 C SER A 53 -0.754 16.405 4.524 1.00 0.28 C ATOM 791 O SER A 53 -1.146 17.559 4.701 1.00 0.35 O ATOM 792 CB SER A 53 1.081 15.748 6.094 1.00 0.28 C ATOM 793 OG SER A 53 1.944 15.214 5.105 1.00 0.26 O ATOM 0 H SER A 53 0.258 13.610 5.116 1.00 0.22 H new ATOM 0 HA SER A 53 -1.028 15.781 6.543 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.267 16.816 6.210 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.289 15.282 7.057 1.00 0.28 H new ATOM 0 HG SER A 53 2.875 15.309 5.397 1.00 0.26 H new ATOM 799 N GLY A 54 -0.619 15.871 3.319 1.00 0.25 N ATOM 800 CA GLY A 54 -0.953 16.630 2.130 1.00 0.28 C ATOM 801 C GLY A 54 0.276 17.049 1.349 1.00 0.26 C ATOM 802 O GLY A 54 0.171 17.762 0.349 1.00 0.30 O ATOM 0 H GLY A 54 -0.284 14.924 3.143 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.600 16.031 1.490 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.519 17.517 2.415 1.00 0.28 H new ATOM 806 N GLU A 55 1.442 16.606 1.809 1.00 0.23 N ATOM 807 CA GLU A 55 2.703 16.904 1.137 1.00 0.23 C ATOM 808 C GLU A 55 2.702 16.319 -0.271 1.00 0.20 C ATOM 809 O GLU A 55 3.034 17.000 -1.243 1.00 0.24 O ATOM 810 CB GLU A 55 3.872 16.350 1.952 1.00 0.24 C ATOM 811 CG GLU A 55 4.010 17.006 3.315 1.00 0.42 C ATOM 812 CD GLU A 55 5.022 16.318 4.205 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.233 16.570 4.044 1.00 0.54 O ATOM 814 OE2 GLU A 55 4.611 15.531 5.082 1.00 0.65 O ATOM 0 H GLU A 55 1.540 16.036 2.649 1.00 0.23 H new ATOM 0 HA GLU A 55 2.817 17.985 1.057 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.739 15.276 2.084 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.797 16.490 1.392 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.301 18.048 3.182 1.00 0.42 H new ATOM 0 HG3 GLU A 55 3.040 17.007 3.811 1.00 0.42 H new ATOM 821 N VAL A 56 2.315 15.057 -0.371 1.00 0.17 N ATOM 822 CA VAL A 56 2.103 14.411 -1.657 1.00 0.15 C ATOM 823 C VAL A 56 0.810 13.621 -1.614 1.00 0.15 C ATOM 824 O VAL A 56 0.342 13.246 -0.538 1.00 0.19 O ATOM 825 CB VAL A 56 3.257 13.461 -2.065 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.512 14.242 -2.410 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.553 12.449 -0.972 1.00 0.15 C ATOM 0 H VAL A 56 2.140 14.454 0.433 1.00 0.17 H new ATOM 0 HA VAL A 56 2.060 15.204 -2.403 1.00 0.15 H new ATOM 0 HB VAL A 56 2.932 12.919 -2.953 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.305 13.550 -2.693 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.304 14.915 -3.242 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.829 14.823 -1.544 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.367 11.798 -1.290 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.841 12.972 -0.060 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.663 11.850 -0.780 1.00 0.15 H new ATOM 837 N SER A 57 0.223 13.384 -2.770 1.00 0.13 N ATOM 838 CA SER A 57 -0.992 12.603 -2.839 1.00 0.15 C ATOM 839 C SER A 57 -0.651 11.120 -2.858 1.00 0.15 C ATOM 840 O SER A 57 0.509 10.752 -3.079 1.00 0.18 O ATOM 841 CB SER A 57 -1.810 12.981 -4.076 1.00 0.22 C ATOM 842 OG SER A 57 -1.068 12.779 -5.265 1.00 0.97 O ATOM 0 H SER A 57 0.567 13.720 -3.670 1.00 0.13 H new ATOM 0 HA SER A 57 -1.596 12.817 -1.957 1.00 0.15 H new ATOM 0 HB2 SER A 57 -2.722 12.384 -4.108 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.115 14.025 -4.008 1.00 0.22 H new ATOM 0 HG SER A 57 -1.616 13.027 -6.039 1.00 0.97 H new ATOM 848 N PHE A 58 -1.641 10.273 -2.623 1.00 0.16 N ATOM 849 CA PHE A 58 -1.425 8.836 -2.636 1.00 0.16 C ATOM 850 C PHE A 58 -0.865 8.417 -3.992 1.00 0.18 C ATOM 851 O PHE A 58 0.065 7.611 -4.079 1.00 0.19 O ATOM 852 CB PHE A 58 -2.737 8.103 -2.352 1.00 0.18 C ATOM 853 CG PHE A 58 -2.555 6.763 -1.696 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.960 5.715 -2.377 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.983 6.554 -0.395 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.795 4.485 -1.772 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.820 5.326 0.215 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.226 4.291 -0.475 1.00 0.22 C ATOM 0 H PHE A 58 -2.600 10.556 -2.421 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.708 8.573 -1.858 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.360 8.728 -1.713 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.277 7.968 -3.289 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.621 5.861 -3.392 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.450 7.362 0.149 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.329 3.675 -2.313 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -3.157 5.177 1.230 1.00 0.21 H new ATOM 0 HZ PHE A 58 -2.098 3.329 -0.001 1.00 0.22 H new ATOM 868 N GLU A 59 -1.417 9.018 -5.038 1.00 0.20 N ATOM 869 CA GLU A 59 -1.031 8.708 -6.406 1.00 0.22 C ATOM 870 C GLU A 59 0.436 9.034 -6.673 1.00 0.24 C ATOM 871 O GLU A 59 1.131 8.255 -7.328 1.00 0.31 O ATOM 872 CB GLU A 59 -1.934 9.452 -7.390 1.00 0.27 C ATOM 873 CG GLU A 59 -3.393 9.038 -7.292 1.00 0.36 C ATOM 874 CD GLU A 59 -4.278 9.742 -8.296 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.362 9.270 -9.447 1.00 1.72 O ATOM 876 OE2 GLU A 59 -4.879 10.779 -7.946 1.00 0.96 O ATOM 0 H GLU A 59 -2.142 9.731 -4.961 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.155 7.635 -6.549 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -1.854 10.524 -7.208 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.579 9.274 -8.405 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.470 7.961 -7.441 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.757 9.247 -6.286 1.00 0.36 H new ATOM 883 N GLU A 60 0.911 10.169 -6.161 1.00 0.23 N ATOM 884 CA GLU A 60 2.303 10.570 -6.370 1.00 0.24 C ATOM 885 C GLU A 60 3.258 9.538 -5.786 1.00 0.23 C ATOM 886 O GLU A 60 4.198 9.097 -6.448 1.00 0.26 O ATOM 887 CB GLU A 60 2.595 11.933 -5.740 1.00 0.25 C ATOM 888 CG GLU A 60 1.785 13.071 -6.328 1.00 0.29 C ATOM 889 CD GLU A 60 2.245 14.421 -5.824 1.00 1.18 C ATOM 890 OE1 GLU A 60 3.151 15.019 -6.442 1.00 1.24 O ATOM 891 OE2 GLU A 60 1.691 14.896 -4.809 1.00 2.09 O ATOM 0 H GLU A 60 0.359 10.822 -5.604 1.00 0.23 H new ATOM 0 HA GLU A 60 2.456 10.640 -7.447 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.399 11.876 -4.669 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.655 12.157 -5.858 1.00 0.25 H new ATOM 0 HG2 GLU A 60 1.862 13.046 -7.415 1.00 0.29 H new ATOM 0 HG3 GLU A 60 0.733 12.932 -6.080 1.00 0.29 H new ATOM 898 N ALA A 61 3.008 9.156 -4.545 1.00 0.22 N ATOM 899 CA ALA A 61 3.863 8.206 -3.857 1.00 0.23 C ATOM 900 C ALA A 61 3.793 6.833 -4.511 1.00 0.22 C ATOM 901 O ALA A 61 4.819 6.245 -4.848 1.00 0.26 O ATOM 902 CB ALA A 61 3.472 8.116 -2.390 1.00 0.24 C ATOM 0 H ALA A 61 2.218 9.490 -3.993 1.00 0.22 H new ATOM 0 HA ALA A 61 4.892 8.559 -3.927 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.120 7.400 -1.884 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.579 9.096 -1.924 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.436 7.787 -2.309 1.00 0.24 H new ATOM 908 N ALA A 62 2.579 6.344 -4.718 1.00 0.20 N ATOM 909 CA ALA A 62 2.365 4.995 -5.229 1.00 0.20 C ATOM 910 C ALA A 62 3.024 4.778 -6.590 1.00 0.21 C ATOM 911 O ALA A 62 3.791 3.838 -6.762 1.00 0.24 O ATOM 912 CB ALA A 62 0.881 4.701 -5.307 1.00 0.20 C ATOM 0 H ALA A 62 1.720 6.865 -4.539 1.00 0.20 H new ATOM 0 HA ALA A 62 2.837 4.302 -4.533 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.730 3.692 -5.690 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.441 4.782 -4.313 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.403 5.418 -5.975 1.00 0.20 H new ATOM 918 N SER A 63 2.743 5.663 -7.535 1.00 0.21 N ATOM 919 CA SER A 63 3.250 5.545 -8.901 1.00 0.23 C ATOM 920 C SER A 63 4.766 5.339 -8.964 1.00 0.24 C ATOM 921 O SER A 63 5.277 4.788 -9.937 1.00 0.27 O ATOM 922 CB SER A 63 2.865 6.793 -9.694 1.00 0.26 C ATOM 923 OG SER A 63 1.466 7.020 -9.632 1.00 1.00 O ATOM 0 H SER A 63 2.158 6.484 -7.380 1.00 0.21 H new ATOM 0 HA SER A 63 2.794 4.656 -9.337 1.00 0.23 H new ATOM 0 HB2 SER A 63 3.396 7.659 -9.298 1.00 0.26 H new ATOM 0 HB3 SER A 63 3.173 6.678 -10.733 1.00 0.26 H new ATOM 0 HG SER A 63 1.281 7.756 -9.012 1.00 1.00 H new ATOM 929 N GLN A 64 5.481 5.769 -7.933 1.00 0.24 N ATOM 930 CA GLN A 64 6.927 5.634 -7.911 1.00 0.27 C ATOM 931 C GLN A 64 7.346 4.523 -6.964 1.00 0.26 C ATOM 932 O GLN A 64 8.227 3.719 -7.264 1.00 0.29 O ATOM 933 CB GLN A 64 7.561 6.937 -7.439 1.00 0.31 C ATOM 934 CG GLN A 64 6.997 8.161 -8.131 1.00 0.35 C ATOM 935 CD GLN A 64 7.534 9.459 -7.562 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.575 9.958 -7.991 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.811 10.028 -6.612 1.00 0.35 N ATOM 0 H GLN A 64 5.083 6.212 -7.105 1.00 0.24 H new ATOM 0 HA GLN A 64 7.261 5.396 -8.921 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.414 7.036 -6.363 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.636 6.893 -7.611 1.00 0.31 H new ATOM 0 HG2 GLN A 64 7.232 8.112 -9.194 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.911 8.154 -8.043 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.955 9.580 -6.286 1.00 0.35 H new ATOM 0 HE22 GLN A 64 7.110 10.915 -6.206 1.00 0.35 H new ATOM 946 N ARG A 65 6.717 4.515 -5.807 1.00 0.26 N ATOM 947 CA ARG A 65 7.135 3.661 -4.708 1.00 0.28 C ATOM 948 C ARG A 65 6.453 2.294 -4.693 1.00 0.27 C ATOM 949 O ARG A 65 7.109 1.287 -4.430 1.00 0.32 O ATOM 950 CB ARG A 65 6.887 4.394 -3.395 1.00 0.33 C ATOM 951 CG ARG A 65 7.569 5.750 -3.348 1.00 0.37 C ATOM 952 CD ARG A 65 9.056 5.619 -3.640 1.00 0.43 C ATOM 953 NE ARG A 65 9.806 6.844 -3.388 1.00 0.58 N ATOM 954 CZ ARG A 65 10.465 7.533 -4.322 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.493 7.109 -5.582 1.00 0.59 N ATOM 956 NH2 ARG A 65 11.116 8.641 -3.991 1.00 0.86 N ATOM 0 H ARG A 65 5.905 5.096 -5.600 1.00 0.26 H new ATOM 0 HA ARG A 65 8.197 3.455 -4.844 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.814 4.525 -3.253 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.245 3.782 -2.568 1.00 0.33 H new ATOM 0 HG2 ARG A 65 7.109 6.419 -4.076 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.425 6.200 -2.366 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.469 4.817 -3.029 1.00 0.43 H new ATOM 0 HD3 ARG A 65 9.190 5.328 -4.682 1.00 0.43 H new ATOM 0 HE ARG A 65 9.829 7.199 -2.432 1.00 0.58 H new ATOM 0 HH11 ARG A 65 10.008 6.250 -5.842 1.00 0.59 H new ATOM 0 HH12 ARG A 65 10.999 7.643 -6.289 1.00 0.59 H new ATOM 0 HH21 ARG A 65 11.112 8.965 -3.024 1.00 0.86 H new ATOM 0 HH22 ARG A 65 11.620 9.169 -4.704 1.00 0.86 H new ATOM 970 N SER A 66 5.153 2.250 -4.961 1.00 0.25 N ATOM 971 CA SER A 66 4.406 0.998 -4.845 1.00 0.25 C ATOM 972 C SER A 66 4.896 -0.044 -5.847 1.00 0.23 C ATOM 973 O SER A 66 4.911 0.194 -7.054 1.00 0.24 O ATOM 974 CB SER A 66 2.896 1.224 -5.015 1.00 0.24 C ATOM 975 OG SER A 66 2.553 1.551 -6.348 1.00 0.82 O ATOM 0 H SER A 66 4.598 3.053 -5.256 1.00 0.25 H new ATOM 0 HA SER A 66 4.586 0.617 -3.840 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.359 0.325 -4.713 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.573 2.026 -4.351 1.00 0.24 H new ATOM 0 HG SER A 66 3.207 2.186 -6.708 1.00 0.82 H new ATOM 981 N ASP A 67 5.311 -1.194 -5.324 1.00 0.25 N ATOM 982 CA ASP A 67 5.727 -2.324 -6.154 1.00 0.28 C ATOM 983 C ASP A 67 4.511 -3.042 -6.745 1.00 0.31 C ATOM 984 O ASP A 67 4.631 -3.893 -7.627 1.00 0.48 O ATOM 985 CB ASP A 67 6.590 -3.280 -5.329 1.00 0.39 C ATOM 986 CG ASP A 67 7.023 -4.510 -6.099 1.00 1.59 C ATOM 987 OD1 ASP A 67 7.949 -4.401 -6.914 1.00 1.91 O ATOM 988 OD2 ASP A 67 6.451 -5.593 -5.872 1.00 2.28 O ATOM 0 H ASP A 67 5.369 -1.370 -4.321 1.00 0.25 H new ATOM 0 HA ASP A 67 6.322 -1.952 -6.988 1.00 0.28 H new ATOM 0 HB2 ASP A 67 7.475 -2.749 -4.978 1.00 0.39 H new ATOM 0 HB3 ASP A 67 6.033 -3.590 -4.445 1.00 0.39 H new ATOM 993 N CYS A 68 3.335 -2.668 -6.274 1.00 0.24 N ATOM 994 CA CYS A 68 2.093 -3.204 -6.809 1.00 0.26 C ATOM 995 C CYS A 68 1.763 -2.542 -8.142 1.00 0.27 C ATOM 996 O CYS A 68 2.292 -1.482 -8.478 1.00 0.38 O ATOM 997 CB CYS A 68 0.950 -2.971 -5.825 1.00 0.29 C ATOM 998 SG CYS A 68 0.747 -4.253 -4.570 1.00 1.52 S ATOM 0 H CYS A 68 3.212 -1.993 -5.519 1.00 0.24 H new ATOM 0 HA CYS A 68 2.218 -4.276 -6.964 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.111 -2.016 -5.324 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.020 -2.883 -6.387 1.00 0.29 H new ATOM 0 HG CYS A 68 -0.344 -4.920 -4.803 1.00 1.52 H new ATOM 1004 N GLY A 69 0.861 -3.181 -8.875 1.00 0.26 N ATOM 1005 CA GLY A 69 0.535 -2.768 -10.231 1.00 0.25 C ATOM 1006 C GLY A 69 -0.130 -1.412 -10.297 1.00 0.22 C ATOM 1007 O GLY A 69 -0.188 -0.791 -11.361 1.00 0.25 O ATOM 0 H GLY A 69 0.339 -3.994 -8.548 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.447 -2.747 -10.827 1.00 0.25 H new ATOM 0 HA3 GLY A 69 -0.123 -3.511 -10.682 1.00 0.25 H new ATOM 1011 N SER A 70 -0.625 -0.941 -9.161 1.00 0.21 N ATOM 1012 CA SER A 70 -1.248 0.365 -9.084 1.00 0.24 C ATOM 1013 C SER A 70 -0.239 1.506 -9.263 1.00 0.22 C ATOM 1014 O SER A 70 -0.621 2.669 -9.211 1.00 0.25 O ATOM 1015 CB SER A 70 -1.984 0.516 -7.756 1.00 0.31 C ATOM 1016 OG SER A 70 -1.230 -0.037 -6.686 1.00 0.32 O ATOM 0 H SER A 70 -0.605 -1.450 -8.277 1.00 0.21 H new ATOM 0 HA SER A 70 -1.959 0.434 -9.907 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.177 1.571 -7.562 1.00 0.31 H new ATOM 0 HB3 SER A 70 -2.953 0.021 -7.816 1.00 0.31 H new ATOM 0 HG SER A 70 -1.723 0.074 -5.847 1.00 0.32 H new ATOM 1022 N TYR A 71 1.039 1.185 -9.472 1.00 0.20 N ATOM 1023 CA TYR A 71 2.046 2.215 -9.749 1.00 0.20 C ATOM 1024 C TYR A 71 1.654 3.015 -10.997 1.00 0.22 C ATOM 1025 O TYR A 71 2.041 4.167 -11.159 1.00 0.29 O ATOM 1026 CB TYR A 71 3.441 1.592 -9.956 1.00 0.21 C ATOM 1027 CG TYR A 71 3.582 0.814 -11.251 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.132 -0.495 -11.352 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.158 1.396 -12.375 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.248 -1.201 -12.533 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.277 0.696 -13.560 1.00 0.44 C ATOM 1032 CZ TYR A 71 3.820 -0.601 -13.634 1.00 0.43 C ATOM 1033 OH TYR A 71 3.932 -1.301 -14.815 1.00 0.54 O ATOM 0 H TYR A 71 1.400 0.231 -9.456 1.00 0.20 H new ATOM 0 HA TYR A 71 2.088 2.879 -8.886 1.00 0.20 H new ATOM 0 HB2 TYR A 71 4.189 2.385 -9.937 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.659 0.928 -9.119 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.683 -0.970 -10.492 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.518 2.413 -12.321 1.00 0.35 H new ATOM 0 HE1 TYR A 71 2.892 -2.219 -12.594 1.00 0.36 H new ATOM 0 HE2 TYR A 71 4.726 1.163 -14.424 1.00 0.44 H new ATOM 0 HH TYR A 71 4.356 -0.734 -15.492 1.00 0.54 H new ATOM 1043 N ALA A 72 0.892 2.391 -11.887 1.00 0.24 N ATOM 1044 CA ALA A 72 0.425 3.062 -13.091 1.00 0.30 C ATOM 1045 C ALA A 72 -0.972 3.632 -12.879 1.00 0.36 C ATOM 1046 O ALA A 72 -1.500 4.355 -13.724 1.00 0.49 O ATOM 1047 CB ALA A 72 0.434 2.095 -14.263 1.00 0.38 C ATOM 0 H ALA A 72 0.585 1.422 -11.797 1.00 0.24 H new ATOM 0 HA ALA A 72 1.099 3.889 -13.314 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.083 2.606 -15.159 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.448 1.731 -14.427 1.00 0.38 H new ATOM 0 HB3 ALA A 72 -0.223 1.253 -14.045 1.00 0.38 H new ATOM 1053 N SER A 73 -1.561 3.307 -11.738 1.00 0.32 N ATOM 1054 CA SER A 73 -2.931 3.695 -11.442 1.00 0.44 C ATOM 1055 C SER A 73 -2.977 4.746 -10.333 1.00 0.49 C ATOM 1056 O SER A 73 -4.051 5.194 -9.935 1.00 0.71 O ATOM 1057 CB SER A 73 -3.727 2.464 -11.014 1.00 0.47 C ATOM 1058 OG SER A 73 -3.410 1.345 -11.826 1.00 0.62 O ATOM 0 H SER A 73 -1.107 2.772 -10.998 1.00 0.32 H new ATOM 0 HA SER A 73 -3.369 4.127 -12.342 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.513 2.233 -9.971 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.794 2.675 -11.081 1.00 0.47 H new ATOM 0 HG SER A 73 -3.931 0.569 -11.531 1.00 0.62 H new ATOM 1064 N GLY A 74 -1.805 5.124 -9.834 1.00 0.41 N ATOM 1065 CA GLY A 74 -1.734 6.069 -8.735 1.00 0.54 C ATOM 1066 C GLY A 74 -2.049 5.421 -7.400 1.00 0.45 C ATOM 1067 O GLY A 74 -2.526 6.075 -6.477 1.00 0.49 O ATOM 0 H GLY A 74 -0.902 4.792 -10.172 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -0.736 6.506 -8.698 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -2.433 6.886 -8.915 1.00 0.54 H new ATOM 1071 N GLY A 75 -1.781 4.127 -7.301 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.077 3.396 -6.082 1.00 0.32 C ATOM 1073 C GLY A 75 -3.528 2.978 -6.015 1.00 0.20 C ATOM 1074 O GLY A 75 -3.942 2.280 -5.096 1.00 0.21 O ATOM 0 H GLY A 75 -1.363 3.567 -8.044 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.441 2.512 -6.025 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -1.838 4.017 -5.219 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.279 3.354 -7.032 1.00 0.35 N ATOM 1079 CA ASP A 76 -5.728 3.231 -7.005 1.00 0.39 C ATOM 1080 C ASP A 76 -6.182 1.914 -7.594 1.00 0.32 C ATOM 1081 O ASP A 76 -5.685 1.480 -8.636 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.363 4.360 -7.795 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.859 4.463 -7.584 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -8.280 5.103 -6.601 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.616 3.880 -8.380 1.00 0.80 O ATOM 0 H ASP A 76 -3.908 3.751 -7.895 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.040 3.278 -5.962 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -5.896 5.303 -7.510 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.161 4.212 -8.856 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.124 1.283 -6.924 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.761 0.093 -7.445 1.00 0.30 C ATOM 1092 C LEU A 77 -9.225 0.369 -7.688 1.00 0.32 C ATOM 1093 O LEU A 77 -9.803 1.292 -7.114 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.597 -1.087 -6.488 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.536 -2.117 -6.883 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.235 -1.437 -7.279 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.304 -3.093 -5.738 1.00 0.94 C ATOM 0 H LEU A 77 -7.467 1.578 -6.010 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.280 -0.173 -8.386 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.350 -0.699 -5.500 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.557 -1.596 -6.400 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.900 -2.670 -7.749 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.499 -2.192 -7.555 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.413 -0.777 -8.128 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.859 -0.854 -6.439 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.547 -3.822 -6.029 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.963 -2.547 -4.858 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -7.235 -3.610 -5.506 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.802 -0.431 -8.547 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.196 -0.279 -8.897 1.00 0.39 C ATOM 1111 C GLY A 78 -12.112 -0.991 -7.925 1.00 0.34 C ATOM 1112 O GLY A 78 -12.017 -0.798 -6.713 1.00 0.44 O ATOM 0 H GLY A 78 -9.327 -1.199 -9.021 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.449 0.781 -8.922 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.361 -0.669 -9.901 1.00 0.39 H new ATOM 1116 N PHE A 79 -12.988 -1.828 -8.451 1.00 0.47 N ATOM 1117 CA PHE A 79 -13.952 -2.531 -7.622 1.00 0.46 C ATOM 1118 C PHE A 79 -13.411 -3.893 -7.202 1.00 0.45 C ATOM 1119 O PHE A 79 -12.653 -4.527 -7.940 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.294 -2.679 -8.359 1.00 0.61 C ATOM 1121 CG PHE A 79 -15.213 -3.396 -9.682 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -15.269 -4.781 -9.740 1.00 2.78 C ATOM 1123 CD2 PHE A 79 -15.066 -2.687 -10.864 1.00 1.73 C ATOM 1124 CE1 PHE A 79 -15.185 -5.441 -10.951 1.00 3.87 C ATOM 1125 CE2 PHE A 79 -14.981 -3.342 -12.078 1.00 2.78 C ATOM 1126 CZ PHE A 79 -15.087 -4.715 -12.127 1.00 3.85 C ATOM 0 H PHE A 79 -13.052 -2.038 -9.447 1.00 0.47 H new ATOM 0 HA PHE A 79 -14.122 -1.942 -6.721 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.990 -3.215 -7.713 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -15.713 -1.686 -8.525 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -15.379 -5.350 -8.828 1.00 2.78 H new ATOM 0 HD2 PHE A 79 -15.017 -1.608 -10.836 1.00 1.73 H new ATOM 0 HE1 PHE A 79 -15.196 -6.521 -10.981 1.00 3.87 H new ATOM 0 HE2 PHE A 79 -14.832 -2.778 -12.987 1.00 2.78 H new ATOM 0 HZ PHE A 79 -15.094 -5.224 -13.080 1.00 3.85 H new ATOM 1136 N PHE A 80 -13.791 -4.329 -6.008 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.370 -5.620 -5.483 1.00 0.45 C ATOM 1138 C PHE A 80 -14.250 -6.032 -4.315 1.00 0.46 C ATOM 1139 O PHE A 80 -14.742 -5.186 -3.572 1.00 0.55 O ATOM 1140 CB PHE A 80 -11.894 -5.599 -5.055 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.441 -4.331 -4.375 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.910 -4.019 -3.111 1.00 0.89 C ATOM 1143 CD2 PHE A 80 -10.567 -3.446 -4.995 1.00 1.01 C ATOM 1144 CE1 PHE A 80 -11.522 -2.856 -2.483 1.00 1.19 C ATOM 1145 CE2 PHE A 80 -10.184 -2.278 -4.357 1.00 1.28 C ATOM 1146 CZ PHE A 80 -10.551 -2.011 -3.145 1.00 1.31 C ATOM 0 H PHE A 80 -14.396 -3.801 -5.380 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.477 -6.353 -6.283 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -11.716 -6.437 -4.382 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.274 -5.761 -5.937 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.588 -4.695 -2.611 1.00 0.89 H new ATOM 0 HD2 PHE A 80 -10.184 -3.670 -5.980 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -11.932 -2.582 -1.522 1.00 1.19 H new ATOM 0 HE2 PHE A 80 -9.562 -1.571 -4.885 1.00 1.28 H new ATOM 0 HZ PHE A 80 -10.134 -1.159 -2.629 1.00 1.31 H new ATOM 1156 N SER A 81 -14.463 -7.328 -4.176 1.00 0.50 N ATOM 1157 CA SER A 81 -15.278 -7.856 -3.099 1.00 0.55 C ATOM 1158 C SER A 81 -14.508 -7.831 -1.782 1.00 0.52 C ATOM 1159 O SER A 81 -13.329 -8.190 -1.732 1.00 0.54 O ATOM 1160 CB SER A 81 -15.710 -9.283 -3.434 1.00 0.69 C ATOM 1161 OG SER A 81 -16.324 -9.341 -4.712 1.00 1.17 O ATOM 0 H SER A 81 -14.080 -8.038 -4.800 1.00 0.50 H new ATOM 0 HA SER A 81 -16.164 -7.231 -2.987 1.00 0.55 H new ATOM 0 HB2 SER A 81 -14.843 -9.944 -3.413 1.00 0.69 H new ATOM 0 HB3 SER A 81 -16.405 -9.644 -2.676 1.00 0.69 H new ATOM 0 HG SER A 81 -15.642 -9.511 -5.395 1.00 1.17 H new ATOM 1167 N SER A 82 -15.175 -7.381 -0.729 1.00 0.59 N ATOM 1168 CA SER A 82 -14.586 -7.350 0.597 1.00 0.63 C ATOM 1169 C SER A 82 -14.220 -8.763 1.039 1.00 0.59 C ATOM 1170 O SER A 82 -15.088 -9.622 1.200 1.00 0.63 O ATOM 1171 CB SER A 82 -15.564 -6.714 1.586 1.00 0.77 C ATOM 1172 OG SER A 82 -16.021 -5.457 1.109 1.00 1.19 O ATOM 0 H SER A 82 -16.132 -7.030 -0.771 1.00 0.59 H new ATOM 0 HA SER A 82 -13.677 -6.749 0.571 1.00 0.63 H new ATOM 0 HB2 SER A 82 -16.413 -7.379 1.742 1.00 0.77 H new ATOM 0 HB3 SER A 82 -15.078 -6.586 2.553 1.00 0.77 H new ATOM 0 HG SER A 82 -16.646 -5.069 1.756 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.929 -9.000 1.197 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.451 -10.316 1.562 1.00 0.62 C ATOM 1180 C GLY A 83 -11.661 -10.960 0.443 1.00 0.64 C ATOM 1181 O GLY A 83 -11.042 -12.007 0.634 1.00 0.79 O ATOM 0 H GLY A 83 -12.198 -8.299 1.078 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.826 -10.241 2.452 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -13.298 -10.951 1.820 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.667 -10.324 -0.723 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.995 -10.867 -1.895 1.00 0.62 C ATOM 1187 C GLU A 84 -9.650 -10.169 -2.109 1.00 0.58 C ATOM 1188 O GLU A 84 -9.317 -9.729 -3.213 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.889 -10.711 -3.128 1.00 0.73 C ATOM 1190 CG GLU A 84 -11.449 -11.548 -4.316 1.00 1.17 C ATOM 1191 CD GLU A 84 -12.292 -11.288 -5.541 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -13.316 -11.979 -5.722 1.00 1.43 O ATOM 1193 OE2 GLU A 84 -11.940 -10.381 -6.325 1.00 1.55 O ATOM 0 H GLU A 84 -12.131 -9.430 -0.881 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.805 -11.928 -1.735 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -12.910 -10.984 -2.861 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -11.906 -9.661 -3.422 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -10.405 -11.332 -4.543 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -11.507 -12.605 -4.055 1.00 1.17 H new ATOM 1200 N MET A 85 -8.893 -10.046 -1.030 1.00 0.47 N ATOM 1201 CA MET A 85 -7.557 -9.480 -1.079 1.00 0.44 C ATOM 1202 C MET A 85 -6.625 -10.344 -0.240 1.00 0.47 C ATOM 1203 O MET A 85 -6.572 -11.558 -0.415 1.00 0.73 O ATOM 1204 CB MET A 85 -7.551 -8.037 -0.551 1.00 0.39 C ATOM 1205 CG MET A 85 -8.219 -7.024 -1.464 1.00 0.37 C ATOM 1206 SD MET A 85 -7.348 -6.842 -3.035 1.00 0.39 S ATOM 1207 CE MET A 85 -8.234 -5.469 -3.769 1.00 0.39 C ATOM 0 H MET A 85 -9.188 -10.336 -0.098 1.00 0.47 H new ATOM 0 HA MET A 85 -7.218 -9.460 -2.115 1.00 0.44 H new ATOM 0 HB2 MET A 85 -8.050 -8.017 0.418 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.519 -7.730 -0.384 1.00 0.39 H new ATOM 0 HG2 MET A 85 -9.247 -7.332 -1.654 1.00 0.37 H new ATOM 0 HG3 MET A 85 -8.263 -6.058 -0.961 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.417 -5.676 -4.823 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.186 -5.333 -3.255 1.00 0.39 H new ATOM 0 HE3 MET A 85 -7.639 -4.561 -3.676 1.00 0.39 H new ATOM 1217 N MET A 86 -5.917 -9.713 0.679 1.00 0.33 N ATOM 1218 CA MET A 86 -5.085 -10.423 1.634 1.00 0.35 C ATOM 1219 C MET A 86 -5.673 -10.231 3.018 1.00 0.40 C ATOM 1220 O MET A 86 -6.287 -9.197 3.275 1.00 0.76 O ATOM 1221 CB MET A 86 -3.648 -9.902 1.610 1.00 0.33 C ATOM 1222 CG MET A 86 -2.968 -10.034 0.258 1.00 0.43 C ATOM 1223 SD MET A 86 -1.314 -9.317 0.240 1.00 1.16 S ATOM 1224 CE MET A 86 -0.788 -9.750 -1.418 1.00 1.39 C ATOM 0 H MET A 86 -5.902 -8.699 0.785 1.00 0.33 H new ATOM 0 HA MET A 86 -5.062 -11.480 1.369 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.647 -8.853 1.905 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.063 -10.443 2.354 1.00 0.33 H new ATOM 0 HG2 MET A 86 -2.906 -11.088 -0.012 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.580 -9.546 -0.501 1.00 0.43 H new ATOM 0 HE1 MET A 86 0.222 -9.376 -1.589 1.00 1.39 H new ATOM 0 HE2 MET A 86 -0.798 -10.834 -1.531 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.468 -9.303 -2.144 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.495 -11.202 3.896 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.123 -11.160 5.215 1.00 0.32 C ATOM 1236 C LYS A 87 -5.824 -9.855 5.972 1.00 0.27 C ATOM 1237 O LYS A 87 -6.760 -9.160 6.367 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.719 -12.380 6.050 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.391 -12.430 7.414 1.00 0.97 C ATOM 1240 CD LYS A 87 -6.070 -13.718 8.158 1.00 1.46 C ATOM 1241 CE LYS A 87 -6.642 -14.937 7.449 1.00 2.00 C ATOM 1242 NZ LYS A 87 -8.117 -14.835 7.266 1.00 2.37 N ATOM 0 H LYS A 87 -4.923 -12.029 3.725 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.200 -11.189 5.052 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -5.967 -13.287 5.498 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.638 -12.375 6.186 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -6.067 -11.576 8.010 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -7.470 -12.342 7.290 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -4.989 -13.825 8.250 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -6.472 -13.664 9.170 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -6.163 -15.049 6.476 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -6.409 -15.833 8.024 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -8.502 -15.769 7.019 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -8.554 -14.503 8.149 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -8.326 -14.161 6.502 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.540 -9.464 6.157 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.211 -8.270 6.941 1.00 0.25 C ATOM 1258 C PRO A 88 -4.520 -6.988 6.172 1.00 0.22 C ATOM 1259 O PRO A 88 -4.887 -5.966 6.755 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.710 -8.412 7.187 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.203 -9.198 6.027 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.326 -10.109 5.603 1.00 0.27 C ATOM 0 HA PRO A 88 -4.793 -8.199 7.860 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.226 -7.437 7.246 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.511 -8.924 8.128 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -1.909 -8.539 5.210 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.320 -9.774 6.305 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.381 -10.197 4.518 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.194 -11.116 5.998 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.389 -7.076 4.856 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.654 -5.963 3.956 1.00 0.17 C ATOM 1272 C PHE A 89 -6.134 -5.605 3.988 1.00 0.18 C ATOM 1273 O PHE A 89 -6.502 -4.476 4.296 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.230 -6.378 2.539 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.496 -5.380 1.441 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.735 -5.324 0.819 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.496 -4.529 1.000 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -5.974 -4.435 -0.213 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.727 -3.643 -0.037 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.969 -3.595 -0.644 1.00 0.19 C ATOM 0 H PHE A 89 -4.094 -7.928 4.379 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.089 -5.084 4.267 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.162 -6.595 2.552 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -4.741 -7.307 2.288 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.525 -5.985 1.146 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.525 -4.558 1.471 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.947 -4.399 -0.681 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.937 -2.988 -0.373 1.00 0.20 H new ATOM 0 HZ PHE A 89 -5.151 -2.902 -1.452 1.00 0.19 H new ATOM 1290 N GLU A 90 -6.969 -6.595 3.705 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.414 -6.414 3.646 1.00 0.24 C ATOM 1292 C GLU A 90 -8.955 -6.041 5.022 1.00 0.25 C ATOM 1293 O GLU A 90 -9.847 -5.200 5.144 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.063 -7.703 3.135 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.449 -7.522 2.537 1.00 0.34 C ATOM 1296 CD GLU A 90 -11.531 -7.335 3.580 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -11.660 -8.199 4.465 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -12.245 -6.314 3.523 1.00 1.78 O ATOM 0 H GLU A 90 -6.664 -7.548 3.509 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.654 -5.601 2.960 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.412 -8.148 2.382 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.128 -8.413 3.960 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.441 -6.658 1.873 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -10.690 -8.392 1.925 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.384 -6.651 6.054 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.769 -6.358 7.431 1.00 0.29 C ATOM 1307 C ASP A 91 -8.544 -4.882 7.752 1.00 0.25 C ATOM 1308 O ASP A 91 -9.219 -4.311 8.607 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.985 -7.243 8.404 1.00 0.35 C ATOM 1310 CG ASP A 91 -8.368 -7.008 9.852 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -9.491 -7.390 10.246 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -7.541 -6.449 10.604 1.00 0.54 O ATOM 0 H ASP A 91 -7.650 -7.354 5.964 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.831 -6.574 7.544 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -8.155 -8.290 8.153 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.919 -7.055 8.280 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.599 -4.262 7.056 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.346 -2.840 7.219 1.00 0.19 C ATOM 1319 C ALA A 92 -8.269 -2.004 6.333 1.00 0.18 C ATOM 1320 O ALA A 92 -8.511 -0.833 6.616 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.893 -2.522 6.910 1.00 0.22 C ATOM 0 H ALA A 92 -6.997 -4.723 6.374 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.553 -2.582 8.258 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.720 -1.453 7.037 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.247 -3.078 7.589 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.669 -2.807 5.882 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.809 -2.615 5.280 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.597 -1.882 4.290 1.00 0.19 C ATOM 1329 C VAL A 93 -10.972 -1.543 4.846 1.00 0.19 C ATOM 1330 O VAL A 93 -11.432 -0.407 4.760 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.771 -2.673 2.972 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.516 -1.832 1.945 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.426 -3.120 2.417 1.00 0.21 C ATOM 0 H VAL A 93 -8.716 -3.613 5.090 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.045 -0.968 4.070 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.358 -3.565 3.189 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.631 -2.402 1.023 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.500 -1.569 2.334 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.952 -0.922 1.741 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.580 -3.673 1.491 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.806 -2.246 2.218 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.927 -3.761 3.144 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.625 -2.532 5.430 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.921 -2.308 6.058 1.00 0.27 C ATOM 1345 C ARG A 94 -12.760 -1.656 7.429 1.00 0.25 C ATOM 1346 O ARG A 94 -13.741 -1.411 8.126 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.725 -3.612 6.176 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.895 -4.864 6.414 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.100 -4.784 7.702 1.00 1.03 C ATOM 1350 NE ARG A 94 -12.951 -4.703 8.883 1.00 0.98 N ATOM 1351 CZ ARG A 94 -13.116 -5.699 9.753 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -12.515 -6.866 9.556 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -13.882 -5.529 10.820 1.00 1.70 N ATOM 0 H ARG A 94 -11.285 -3.492 5.484 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.479 -1.627 5.415 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.439 -3.508 6.993 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -14.304 -3.747 5.262 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -13.552 -5.733 6.447 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -12.213 -5.011 5.576 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -11.456 -5.660 7.782 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -11.448 -3.911 7.668 1.00 1.03 H new ATOM 0 HE ARG A 94 -13.451 -3.830 9.054 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -11.924 -7.003 8.736 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -12.644 -7.625 10.225 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -14.347 -4.635 10.977 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -14.007 -6.292 11.485 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.519 -1.370 7.807 1.00 0.23 N ATOM 1368 CA ALA A 95 -11.234 -0.757 9.097 1.00 0.25 C ATOM 1369 C ALA A 95 -11.182 0.760 8.974 1.00 0.26 C ATOM 1370 O ALA A 95 -10.938 1.467 9.952 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.932 -1.294 9.666 1.00 0.26 C ATOM 0 H ALA A 95 -10.694 -1.554 7.237 1.00 0.23 H new ATOM 0 HA ALA A 95 -12.041 -1.014 9.783 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.735 -0.825 10.630 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -10.010 -2.373 9.797 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -9.115 -1.070 8.980 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.405 1.252 7.764 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.431 2.682 7.510 1.00 0.19 C ATOM 1379 C LEU A 96 -12.584 3.041 6.587 1.00 0.21 C ATOM 1380 O LEU A 96 -13.142 2.179 5.901 1.00 0.28 O ATOM 1381 CB LEU A 96 -10.094 3.157 6.926 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.350 2.155 6.048 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.858 2.214 4.625 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.861 2.419 6.088 1.00 0.28 C ATOM 0 H LEU A 96 -11.571 0.676 6.939 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.584 3.194 8.460 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.277 4.057 6.340 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.441 3.441 7.751 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.535 1.154 6.438 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.315 1.492 4.015 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -10.922 1.976 4.608 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.704 3.216 4.225 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.346 1.695 5.456 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.660 3.426 5.723 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.502 2.326 7.113 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.960 4.308 6.601 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.038 4.799 5.764 1.00 0.31 C ATOM 1398 C LYS A 97 -13.448 5.535 4.564 1.00 0.28 C ATOM 1399 O LYS A 97 -12.228 5.673 4.458 1.00 0.25 O ATOM 1400 CB LYS A 97 -14.955 5.719 6.586 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.277 6.074 5.915 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.126 4.841 5.656 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.448 5.202 4.997 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.297 4.006 4.773 1.00 1.61 N ATOM 0 H LYS A 97 -12.529 5.021 7.190 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.637 3.965 5.398 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.167 5.238 7.541 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.417 6.641 6.806 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.830 6.770 6.546 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -16.081 6.585 4.972 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.578 4.148 5.018 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.316 4.325 6.597 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -18.983 5.916 5.623 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.256 5.695 4.044 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -20.189 4.293 4.322 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -18.797 3.336 4.155 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -19.501 3.549 5.685 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.301 5.975 3.651 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.859 6.730 2.490 1.00 0.32 C ATOM 1420 C ILE A 98 -13.104 7.987 2.918 1.00 0.32 C ATOM 1421 O ILE A 98 -13.670 8.884 3.542 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.052 7.122 1.597 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -15.814 5.866 1.166 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.575 7.909 0.384 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -17.032 6.147 0.316 1.00 0.90 C ATOM 0 H ILE A 98 -15.308 5.821 3.693 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.189 6.090 1.917 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.727 7.760 2.167 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.138 5.216 0.610 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.123 5.318 2.056 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.431 8.177 -0.235 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -14.068 8.815 0.715 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -13.884 7.298 -0.197 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.516 5.207 0.052 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -17.730 6.770 0.875 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -16.729 6.667 -0.593 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.820 8.030 2.596 1.00 0.30 N ATOM 1438 CA GLY A 99 -11.002 9.168 2.960 1.00 0.32 C ATOM 1439 C GLY A 99 -10.077 8.870 4.124 1.00 0.32 C ATOM 1440 O GLY A 99 -9.310 9.738 4.551 1.00 0.46 O ATOM 0 H GLY A 99 -11.329 7.295 2.088 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.409 9.476 2.099 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.647 10.007 3.219 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.144 7.650 4.645 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.300 7.253 5.759 1.00 0.19 C ATOM 1446 C ASP A 100 -8.183 6.339 5.282 1.00 0.15 C ATOM 1447 O ASP A 100 -8.408 5.452 4.457 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.122 6.553 6.844 1.00 0.22 C ATOM 1449 CG ASP A 100 -11.055 7.492 7.582 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.567 8.306 8.398 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.279 7.416 7.361 1.00 0.37 O ATOM 0 H ASP A 100 -10.775 6.921 4.312 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.860 8.154 6.186 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.706 5.753 6.389 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.445 6.086 7.560 1.00 0.22 H new ATOM 1456 N ILE A 101 -6.982 6.573 5.794 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.816 5.777 5.430 1.00 0.16 C ATOM 1458 C ILE A 101 -5.403 4.892 6.605 1.00 0.16 C ATOM 1459 O ILE A 101 -5.591 5.262 7.765 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.618 6.674 5.041 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.078 7.827 4.144 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.543 5.854 4.337 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -3.973 8.800 3.788 1.00 0.21 C ATOM 0 H ILE A 101 -6.789 7.314 6.468 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.091 5.165 4.571 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.194 7.093 5.954 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.498 7.416 3.226 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -5.879 8.369 4.646 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.708 6.502 4.071 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.193 5.065 5.003 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -3.959 5.408 3.434 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.374 9.589 3.151 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.568 9.240 4.699 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.181 8.272 3.257 1.00 0.21 H new ATOM 1475 N SER A 102 -4.851 3.731 6.302 1.00 0.16 N ATOM 1476 CA SER A 102 -4.420 2.791 7.323 1.00 0.19 C ATOM 1477 C SER A 102 -2.962 3.034 7.692 1.00 0.18 C ATOM 1478 O SER A 102 -2.201 3.602 6.904 1.00 0.22 O ATOM 1479 CB SER A 102 -4.586 1.357 6.808 1.00 0.25 C ATOM 1480 OG SER A 102 -3.747 1.116 5.690 1.00 0.92 O ATOM 0 H SER A 102 -4.689 3.413 5.346 1.00 0.16 H new ATOM 0 HA SER A 102 -5.036 2.935 8.211 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.348 0.652 7.604 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.626 1.185 6.530 1.00 0.25 H new ATOM 0 HG SER A 102 -3.128 0.385 5.897 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.557 2.625 8.904 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.150 2.644 9.311 1.00 0.23 C ATOM 1488 C PRO A 103 -0.341 1.594 8.554 1.00 0.20 C ATOM 1489 O PRO A 103 -0.904 0.815 7.781 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.206 2.309 10.803 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.472 1.545 10.973 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.436 2.126 9.978 1.00 0.28 C ATOM 0 HA PRO A 103 -0.666 3.598 9.102 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.343 1.718 11.108 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.205 3.213 11.412 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.315 0.482 10.791 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.854 1.641 11.990 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -4.135 1.375 9.609 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -4.031 2.928 10.416 1.00 0.28 H new ATOM 1500 N ILE A 104 0.975 1.602 8.754 1.00 0.17 N ATOM 1501 CA ILE A 104 1.857 0.597 8.158 1.00 0.15 C ATOM 1502 C ILE A 104 1.364 -0.823 8.448 1.00 0.14 C ATOM 1503 O ILE A 104 1.567 -1.346 9.544 1.00 0.20 O ATOM 1504 CB ILE A 104 3.303 0.710 8.693 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.793 2.163 8.658 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.234 -0.190 7.890 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.744 2.797 7.288 1.00 0.17 C ATOM 0 H ILE A 104 1.457 2.295 9.326 1.00 0.17 H new ATOM 0 HA ILE A 104 1.845 0.788 7.085 1.00 0.15 H new ATOM 0 HB ILE A 104 3.309 0.381 9.732 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.187 2.756 9.343 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.818 2.199 9.027 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.249 -0.101 8.277 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.903 -1.225 7.975 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.217 0.111 6.843 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.107 3.823 7.349 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.373 2.230 6.602 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.717 2.796 6.923 1.00 0.17 H new ATOM 1519 N VAL A 105 0.711 -1.431 7.471 1.00 0.13 N ATOM 1520 CA VAL A 105 0.273 -2.812 7.592 1.00 0.15 C ATOM 1521 C VAL A 105 1.177 -3.717 6.762 1.00 0.15 C ATOM 1522 O VAL A 105 1.290 -3.563 5.541 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.219 -2.991 7.182 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.517 -2.324 5.852 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.605 -4.463 7.126 1.00 1.04 C ATOM 0 H VAL A 105 0.472 -0.989 6.583 1.00 0.13 H new ATOM 0 HA VAL A 105 0.348 -3.097 8.642 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.819 -2.504 7.950 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.567 -2.470 5.599 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.306 -1.257 5.925 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.892 -2.765 5.076 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.652 -4.554 6.837 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -0.981 -4.975 6.394 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.459 -4.915 8.107 1.00 1.04 H new ATOM 1535 N GLN A 106 1.851 -4.639 7.430 1.00 0.18 N ATOM 1536 CA GLN A 106 2.751 -5.549 6.751 1.00 0.20 C ATOM 1537 C GLN A 106 1.992 -6.750 6.209 1.00 0.23 C ATOM 1538 O GLN A 106 1.008 -7.202 6.797 1.00 0.29 O ATOM 1539 CB GLN A 106 3.864 -6.021 7.684 1.00 0.24 C ATOM 1540 CG GLN A 106 4.831 -4.923 8.094 1.00 0.25 C ATOM 1541 CD GLN A 106 6.068 -5.472 8.776 1.00 0.30 C ATOM 1542 OE1 GLN A 106 7.068 -5.828 7.981 1.00 0.55 O flip ATOM 1543 NE2 GLN A 106 6.120 -5.593 10.002 1.00 0.28 N flip ATOM 0 H GLN A 106 1.790 -4.775 8.439 1.00 0.18 H new ATOM 0 HA GLN A 106 3.201 -5.007 5.919 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.416 -6.450 8.580 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.422 -6.819 7.193 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.127 -4.354 7.212 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.326 -4.229 8.766 1.00 0.25 H new ATOM 0 HE21 GLN A 106 5.328 -5.306 10.577 1.00 0.28 H new ATOM 0 HE22 GLN A 106 6.955 -5.980 10.441 1.00 0.28 H new ATOM 1552 N THR A 107 2.459 -7.253 5.084 1.00 0.22 N ATOM 1553 CA THR A 107 1.863 -8.401 4.436 1.00 0.27 C ATOM 1554 C THR A 107 2.914 -9.478 4.231 1.00 0.34 C ATOM 1555 O THR A 107 4.036 -9.344 4.716 1.00 0.37 O ATOM 1556 CB THR A 107 1.259 -8.014 3.076 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.207 -7.233 2.334 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.035 -7.231 3.251 1.00 0.27 C ATOM 0 H THR A 107 3.268 -6.873 4.592 1.00 0.22 H new ATOM 0 HA THR A 107 1.066 -8.778 5.077 1.00 0.27 H new ATOM 0 HB THR A 107 1.028 -8.928 2.529 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.754 -6.461 1.936 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.438 -6.971 2.272 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.759 -7.841 3.792 1.00 0.27 H new ATOM 0 HG23 THR A 107 0.165 -6.320 3.814 1.00 0.27 H new ATOM 1566 N ASP A 108 2.570 -10.530 3.514 1.00 0.40 N ATOM 1567 CA ASP A 108 3.526 -11.589 3.233 1.00 0.49 C ATOM 1568 C ASP A 108 4.552 -11.133 2.199 1.00 0.45 C ATOM 1569 O ASP A 108 5.704 -11.575 2.221 1.00 0.53 O ATOM 1570 CB ASP A 108 2.810 -12.848 2.737 1.00 0.60 C ATOM 1571 CG ASP A 108 2.160 -12.658 1.383 1.00 1.37 C ATOM 1572 OD1 ASP A 108 1.100 -12.002 1.316 1.00 1.67 O ATOM 1573 OD2 ASP A 108 2.706 -13.163 0.382 1.00 2.16 O ATOM 0 H ASP A 108 1.642 -10.676 3.116 1.00 0.40 H new ATOM 0 HA ASP A 108 4.046 -11.824 4.161 1.00 0.49 H new ATOM 0 HB2 ASP A 108 3.525 -13.669 2.680 1.00 0.60 H new ATOM 0 HB3 ASP A 108 2.050 -13.138 3.462 1.00 0.60 H new ATOM 1578 N SER A 109 4.149 -10.228 1.312 1.00 0.39 N ATOM 1579 CA SER A 109 5.024 -9.808 0.229 1.00 0.43 C ATOM 1580 C SER A 109 5.680 -8.458 0.511 1.00 0.53 C ATOM 1581 O SER A 109 6.549 -8.029 -0.241 1.00 1.09 O ATOM 1582 CB SER A 109 4.266 -9.755 -1.097 1.00 0.47 C ATOM 1583 OG SER A 109 5.173 -9.672 -2.186 1.00 0.60 O ATOM 0 H SER A 109 3.234 -9.778 1.323 1.00 0.39 H new ATOM 0 HA SER A 109 5.815 -10.554 0.156 1.00 0.43 H new ATOM 0 HB2 SER A 109 3.643 -10.643 -1.202 1.00 0.47 H new ATOM 0 HB3 SER A 109 3.598 -8.894 -1.106 1.00 0.47 H new ATOM 0 HG SER A 109 4.678 -9.481 -3.010 1.00 0.60 H new ATOM 1589 N GLY A 110 5.252 -7.768 1.557 1.00 0.22 N ATOM 1590 CA GLY A 110 5.969 -6.599 1.985 1.00 0.19 C ATOM 1591 C GLY A 110 5.134 -5.691 2.851 1.00 0.16 C ATOM 1592 O GLY A 110 4.513 -6.124 3.818 1.00 0.24 O ATOM 0 H GLY A 110 4.426 -7.999 2.110 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.858 -6.904 2.537 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.311 -6.047 1.110 1.00 0.19 H new ATOM 1596 N LEU A 111 5.091 -4.442 2.462 1.00 0.12 N ATOM 1597 CA LEU A 111 4.471 -3.386 3.258 1.00 0.11 C ATOM 1598 C LEU A 111 3.349 -2.717 2.487 1.00 0.11 C ATOM 1599 O LEU A 111 3.442 -2.551 1.272 1.00 0.13 O ATOM 1600 CB LEU A 111 5.517 -2.337 3.638 1.00 0.12 C ATOM 1601 CG LEU A 111 6.111 -2.460 5.041 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.720 -3.835 5.262 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.155 -1.380 5.254 1.00 0.19 C ATOM 0 H LEU A 111 5.485 -4.116 1.579 1.00 0.12 H new ATOM 0 HA LEU A 111 4.058 -3.838 4.160 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.331 -2.386 2.915 1.00 0.12 H new ATOM 0 HB3 LEU A 111 5.064 -1.350 3.542 1.00 0.12 H new ATOM 0 HG LEU A 111 5.308 -2.331 5.766 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.134 -3.892 6.269 1.00 0.15 H new ATOM 0 HD12 LEU A 111 5.950 -4.597 5.143 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.513 -4.003 4.533 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.575 -1.472 6.256 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.949 -1.491 4.516 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.692 -0.399 5.144 1.00 0.19 H new ATOM 1615 N HIS A 112 2.292 -2.333 3.186 1.00 0.11 N ATOM 1616 CA HIS A 112 1.155 -1.685 2.546 1.00 0.12 C ATOM 1617 C HIS A 112 0.551 -0.597 3.421 1.00 0.14 C ATOM 1618 O HIS A 112 0.663 -0.627 4.644 1.00 0.22 O ATOM 1619 CB HIS A 112 0.055 -2.700 2.216 1.00 0.14 C ATOM 1620 CG HIS A 112 0.362 -3.605 1.064 1.00 0.16 C ATOM 1621 ND1 HIS A 112 1.016 -4.785 1.016 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 -0.059 -3.349 -0.222 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.973 -5.221 -0.284 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.320 -4.340 -1.011 1.00 0.21 N flip ATOM 0 H HIS A 112 2.197 -2.458 4.194 1.00 0.11 H new ATOM 0 HA HIS A 112 1.538 -1.236 1.630 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.134 -3.310 3.099 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.866 -2.159 2.000 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.612 -2.476 -0.537 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.406 -6.140 -0.652 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.137 -4.410 -2.012 1.00 0.21 H new ATOM 1633 N ILE A 113 -0.041 0.386 2.764 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.998 1.283 3.383 1.00 0.13 C ATOM 1635 C ILE A 113 -2.175 1.425 2.436 1.00 0.12 C ATOM 1636 O ILE A 113 -1.984 1.441 1.216 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.415 2.679 3.675 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.361 3.188 2.461 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.470 2.633 4.912 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.325 4.684 2.297 1.00 0.17 C ATOM 0 H ILE A 113 0.131 0.584 1.778 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.291 0.858 4.343 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.233 3.373 3.872 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.399 2.866 2.545 1.00 0.15 H new ATOM 0 HG13 ILE A 113 -0.045 2.724 1.562 1.00 0.15 H new ATOM 0 HG21 ILE A 113 0.875 3.626 5.107 1.00 0.15 H new ATOM 0 HG22 ILE A 113 -0.119 2.307 5.769 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.289 1.933 4.748 1.00 0.15 H new ATOM 0 HD11 ILE A 113 0.898 4.967 1.414 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.708 5.012 2.180 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.759 5.157 3.178 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.380 1.478 2.971 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.563 1.543 2.132 1.00 0.11 C ATOM 1654 C ILE A 114 -5.477 2.677 2.580 1.00 0.11 C ATOM 1655 O ILE A 114 -5.586 2.959 3.770 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.371 0.218 2.148 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.455 -1.011 2.147 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.294 0.160 0.945 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -4.108 -1.522 3.531 1.00 0.18 C ATOM 0 H ILE A 114 -3.566 1.477 3.974 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.211 1.721 1.116 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.955 0.202 3.068 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.938 -1.811 1.586 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.533 -0.764 1.620 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.858 -0.773 0.963 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.985 1.002 0.976 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.703 0.209 0.030 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.457 -2.392 3.445 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.595 -0.739 4.090 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -5.022 -1.803 4.055 1.00 0.18 H new ATOM 1671 N LYS A 115 -6.107 3.337 1.621 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.131 4.324 1.919 1.00 0.14 C ATOM 1673 C LYS A 115 -8.402 3.949 1.167 1.00 0.15 C ATOM 1674 O LYS A 115 -8.339 3.528 0.012 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.673 5.741 1.531 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.836 6.066 0.051 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.481 7.513 -0.259 1.00 0.24 C ATOM 1678 CE LYS A 115 -7.030 7.946 -1.614 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.733 9.373 -1.907 1.00 0.61 N ATOM 0 H LYS A 115 -5.926 3.206 0.626 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.321 4.329 2.992 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.239 6.467 2.115 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.625 5.860 1.804 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.201 5.403 -0.537 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.865 5.873 -0.251 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.881 8.162 0.521 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.398 7.633 -0.249 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.601 7.319 -2.396 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -8.108 7.789 -1.635 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -7.124 9.625 -2.837 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -7.164 9.974 -1.176 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.703 9.519 -1.913 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.547 4.071 1.815 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.801 3.673 1.188 1.00 0.17 C ATOM 1695 C ARG A 116 -11.378 4.801 0.341 1.00 0.19 C ATOM 1696 O ARG A 116 -11.380 5.964 0.747 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.806 3.214 2.245 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.178 2.872 1.699 1.00 0.28 C ATOM 1699 CD ARG A 116 -13.995 2.108 2.723 1.00 0.49 C ATOM 1700 NE ARG A 116 -15.260 1.623 2.177 1.00 0.79 N ATOM 1701 CZ ARG A 116 -16.019 0.710 2.776 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -15.665 0.227 3.961 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -17.130 0.282 2.192 1.00 1.87 N ATOM 0 H ARG A 116 -9.638 4.437 2.763 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.595 2.835 0.523 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.403 2.339 2.756 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.912 3.999 2.993 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.701 3.787 1.420 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -13.074 2.275 0.793 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -13.413 1.263 3.090 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -14.195 2.753 3.579 1.00 0.49 H new ATOM 0 HE ARG A 116 -15.579 2.006 1.287 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -14.811 0.556 4.412 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -16.247 -0.473 4.421 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -17.403 0.653 1.282 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -17.711 -0.418 2.653 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.851 4.443 -0.846 1.00 0.22 N ATOM 1718 CA LEU A 117 -12.407 5.410 -1.781 1.00 0.27 C ATOM 1719 C LEU A 117 -13.891 5.166 -2.020 1.00 0.29 C ATOM 1720 O LEU A 117 -14.623 6.076 -2.403 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.640 5.382 -3.095 1.00 0.32 C ATOM 1722 CG LEU A 117 -10.325 6.145 -3.040 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -9.249 5.300 -2.406 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.914 6.617 -4.409 1.00 0.80 C ATOM 0 H LEU A 117 -11.860 3.481 -1.185 1.00 0.22 H new ATOM 0 HA LEU A 117 -12.303 6.400 -1.337 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.440 4.346 -3.369 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.265 5.805 -3.882 1.00 0.32 H new ATOM 0 HG LEU A 117 -10.469 7.029 -2.419 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -8.316 5.862 -2.375 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -9.546 5.034 -1.392 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -9.107 4.392 -2.992 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.971 7.159 -4.339 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.791 5.758 -5.068 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -10.682 7.276 -4.812 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.327 3.933 -1.804 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.736 3.587 -1.906 1.00 0.30 C ATOM 1738 C ALA A 118 -16.067 2.477 -0.926 1.00 0.30 C ATOM 1739 O ALA A 118 -15.616 1.340 -1.151 1.00 1.10 O ATOM 1740 CB ALA A 118 -16.103 3.169 -3.322 1.00 0.39 C ATOM 1741 OXT ALA A 118 -16.767 2.744 0.070 1.00 1.09 O ATOM 0 H ALA A 118 -13.720 3.152 -1.556 1.00 0.26 H new ATOM 0 HA ALA A 118 -16.323 4.472 -1.659 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.163 2.917 -3.364 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.898 3.990 -4.009 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.512 2.300 -3.610 1.00 0.39 H new