USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=28 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 107 THR OG1 : rot 170:sc=-0.00979 USER MOD Set 1.2: A 112 HIS : no HD1:sc= -3.03! C(o=-3!,f=-2.8!) USER MOD Set 2.1: A 12 HIS : no HD1:sc= 0.557 K(o=2.3,f=-8.6!) USER MOD Set 2.2: A 66 SER OG : rot -41:sc= 1.24 USER MOD Set 2.3: A 68 CYS SG : rot 137:sc= 0.523 USER MOD Set 2.4: A 70 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 25 SER OG : rot 180:sc= 1.14 USER MOD Set 3.2: A 28 THR OG1 : rot -83:sc= 1.26 USER MOD Set 4.1: A 22 ASN : amide:sc= 0.172 K(o=0.63,f=0.1) USER MOD Set 4.2: A 109 SER OG : rot 21:sc= 0.454 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= 1.22 (180deg=0.0284) USER MOD Single : A 18 SER OG : rot 39:sc= 0.386 USER MOD Single : A 20 SER OG : rot -86:sc= 0.881 USER MOD Single : A 31 SER OG : rot 86:sc= 1.15 USER MOD Single : A 32 THR OG1 : rot -153:sc= -0.683! USER MOD Single : A 36 THR OG1 : rot -83:sc= 1.51 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 168:sc=-0.00416 (180deg=-0.108) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.0475 (180deg=-0.268) USER MOD Single : A 48 SER OG : rot -75:sc= 0.201 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -80:sc= -0.236 USER MOD Single : A 57 SER OG : rot -92:sc= -1.61! USER MOD Single : A 63 SER OG : rot 49:sc= 1.13 USER MOD Single : A 64 GLN : amide:sc= 1.31 K(o=1.3,f=-0.024) 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 81 SER OG : rot -58:sc= 0.997 USER MOD Single : A 82 SER OG : rot 41:sc= 0.0578 USER MOD Single : A 85 MET CE :methyl -156:sc= -1.02 (180deg=-2.05!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 173:sc= -0.0042 (180deg=-0.0821) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 130:sc= 1 USER MOD Single : A 106 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 7 -18.914 -4.942 -2.479 1.00 0.57 N ATOM 47 CA LYS A 7 -18.153 -4.236 -3.496 1.00 0.51 C ATOM 48 C LYS A 7 -17.478 -3.020 -2.887 1.00 0.42 C ATOM 49 O LYS A 7 -18.137 -2.085 -2.428 1.00 0.60 O ATOM 50 CB LYS A 7 -19.051 -3.829 -4.661 1.00 0.64 C ATOM 51 CG LYS A 7 -19.511 -5.010 -5.499 1.00 0.92 C ATOM 52 CD LYS A 7 -18.382 -5.577 -6.350 1.00 0.87 C ATOM 53 CE LYS A 7 -18.839 -6.812 -7.112 1.00 1.10 C ATOM 54 NZ LYS A 7 -17.751 -7.402 -7.934 1.00 1.19 N ATOM 0 HA LYS A 7 -17.385 -4.905 -3.884 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.924 -3.304 -4.273 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -18.514 -3.126 -5.298 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -19.899 -5.790 -4.844 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -20.332 -4.699 -6.145 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -18.036 -4.819 -7.053 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -17.535 -5.831 -5.713 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -19.203 -7.558 -6.406 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -19.677 -6.549 -7.757 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -18.110 -8.240 -8.434 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -17.420 -6.701 -8.627 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -16.961 -7.679 -7.317 1.00 1.19 H new ATOM 68 N LEU A 8 -16.163 -3.061 -2.874 1.00 0.33 N ATOM 69 CA LEU A 8 -15.355 -2.048 -2.234 1.00 0.26 C ATOM 70 C LEU A 8 -14.373 -1.464 -3.246 1.00 0.22 C ATOM 71 O LEU A 8 -14.159 -2.036 -4.319 1.00 0.22 O ATOM 72 CB LEU A 8 -14.604 -2.691 -1.060 1.00 0.25 C ATOM 73 CG LEU A 8 -14.611 -1.919 0.265 1.00 0.33 C ATOM 74 CD1 LEU A 8 -14.205 -2.838 1.405 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.675 -0.723 0.210 1.00 0.81 C ATOM 0 H LEU A 8 -15.621 -3.806 -3.312 1.00 0.33 H new ATOM 0 HA LEU A 8 -15.984 -1.240 -1.860 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.031 -3.678 -0.882 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.567 -2.842 -1.361 1.00 0.25 H new ATOM 0 HG LEU A 8 -15.623 -1.553 0.436 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -14.213 -2.281 2.342 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -14.908 -3.669 1.471 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -13.203 -3.225 1.221 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -13.702 -0.196 1.164 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.659 -1.065 0.013 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -13.992 -0.049 -0.586 1.00 0.81 H new ATOM 87 N ARG A 9 -13.797 -0.326 -2.908 1.00 0.24 N ATOM 88 CA ARG A 9 -12.773 0.299 -3.724 1.00 0.23 C ATOM 89 C ARG A 9 -11.762 0.986 -2.825 1.00 0.20 C ATOM 90 O ARG A 9 -12.138 1.755 -1.937 1.00 0.21 O ATOM 91 CB ARG A 9 -13.375 1.324 -4.684 1.00 0.25 C ATOM 92 CG ARG A 9 -12.318 2.112 -5.439 1.00 0.26 C ATOM 93 CD ARG A 9 -12.920 3.222 -6.278 1.00 0.34 C ATOM 94 NE ARG A 9 -11.907 4.197 -6.676 1.00 0.49 N ATOM 95 CZ ARG A 9 -12.178 5.384 -7.206 1.00 0.81 C ATOM 96 NH1 ARG A 9 -13.431 5.730 -7.476 1.00 1.06 N ATOM 97 NH2 ARG A 9 -11.185 6.217 -7.473 1.00 0.98 N ATOM 0 H ARG A 9 -14.026 0.192 -2.059 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.287 -0.478 -4.314 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -14.020 0.812 -5.398 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -14.005 2.014 -4.123 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.610 2.539 -4.729 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.755 1.437 -6.083 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.387 2.797 -7.166 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.707 3.722 -5.713 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.927 3.950 -6.538 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -14.193 5.082 -7.276 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.631 6.644 -7.883 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -10.223 5.945 -7.272 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -11.382 7.131 -7.880 1.00 0.98 H new ATOM 111 N ALA A 10 -10.487 0.704 -3.035 1.00 0.20 N ATOM 112 CA ALA A 10 -9.453 1.306 -2.215 1.00 0.17 C ATOM 113 C ALA A 10 -8.174 1.562 -3.004 1.00 0.16 C ATOM 114 O ALA A 10 -7.892 0.888 -3.995 1.00 0.17 O ATOM 115 CB ALA A 10 -9.166 0.415 -1.018 1.00 0.22 C ATOM 0 H ALA A 10 -10.147 0.070 -3.758 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.819 2.274 -1.872 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.389 0.870 -0.404 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.074 0.297 -0.426 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -8.829 -0.562 -1.364 1.00 0.22 H new ATOM 121 N ALA A 11 -7.412 2.547 -2.550 1.00 0.17 N ATOM 122 CA ALA A 11 -6.124 2.874 -3.142 1.00 0.18 C ATOM 123 C ALA A 11 -5.017 2.417 -2.207 1.00 0.17 C ATOM 124 O ALA A 11 -5.076 2.676 -1.008 1.00 0.19 O ATOM 125 CB ALA A 11 -6.020 4.372 -3.410 1.00 0.20 C ATOM 0 H ALA A 11 -7.669 3.141 -1.762 1.00 0.17 H new ATOM 0 HA ALA A 11 -6.024 2.359 -4.097 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -5.049 4.596 -3.853 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.811 4.675 -4.097 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -6.126 4.918 -2.472 1.00 0.20 H new ATOM 131 N HIS A 12 -4.011 1.743 -2.744 1.00 0.16 N ATOM 132 CA HIS A 12 -3.016 1.095 -1.897 1.00 0.16 C ATOM 133 C HIS A 12 -1.593 1.299 -2.412 1.00 0.15 C ATOM 134 O HIS A 12 -1.373 1.517 -3.601 1.00 0.19 O ATOM 135 CB HIS A 12 -3.313 -0.404 -1.787 1.00 0.17 C ATOM 136 CG HIS A 12 -2.961 -1.205 -3.008 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.730 -1.230 -4.148 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.912 -2.027 -3.249 1.00 0.22 C ATOM 139 CE1 HIS A 12 -3.169 -2.036 -5.032 1.00 0.23 C ATOM 140 NE2 HIS A 12 -2.067 -2.531 -4.511 1.00 0.21 N ATOM 0 H HIS A 12 -3.861 1.630 -3.747 1.00 0.16 H new ATOM 0 HA HIS A 12 -3.081 1.561 -0.914 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.766 -0.807 -0.935 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.374 -0.536 -1.576 1.00 0.17 H new ATOM 0 HD2 HIS A 12 -1.102 -2.245 -2.569 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.552 -2.253 -6.018 1.00 0.23 H new ATOM 0 HE2 HIS A 12 -1.433 -3.183 -4.972 1.00 0.21 H new ATOM 149 N LEU A 13 -0.637 1.203 -1.499 1.00 0.15 N ATOM 150 CA LEU A 13 0.777 1.294 -1.835 1.00 0.14 C ATOM 151 C LEU A 13 1.479 0.023 -1.351 1.00 0.16 C ATOM 152 O LEU A 13 1.065 -0.568 -0.355 1.00 0.24 O ATOM 153 CB LEU A 13 1.379 2.550 -1.181 1.00 0.15 C ATOM 154 CG LEU A 13 2.682 3.088 -1.793 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.863 4.553 -1.430 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.886 2.294 -1.316 1.00 0.18 C ATOM 0 H LEU A 13 -0.819 1.060 -0.506 1.00 0.15 H new ATOM 0 HA LEU A 13 0.911 1.379 -2.913 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.633 3.344 -1.217 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.562 2.332 -0.129 1.00 0.15 H new ATOM 0 HG LEU A 13 2.609 2.984 -2.876 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.789 4.925 -1.868 1.00 0.16 H new ATOM 0 HD12 LEU A 13 2.022 5.130 -1.815 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.908 4.656 -0.346 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.791 2.700 -1.767 1.00 0.18 H new ATOM 0 HD22 LEU A 13 3.960 2.362 -0.231 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.772 1.250 -1.608 1.00 0.18 H new ATOM 168 N LEU A 14 2.506 -0.412 -2.074 1.00 0.13 N ATOM 169 CA LEU A 14 3.238 -1.630 -1.729 1.00 0.14 C ATOM 170 C LEU A 14 4.745 -1.389 -1.744 1.00 0.16 C ATOM 171 O LEU A 14 5.293 -0.937 -2.744 1.00 0.27 O ATOM 172 CB LEU A 14 2.871 -2.756 -2.707 1.00 0.16 C ATOM 173 CG LEU A 14 3.762 -4.008 -2.668 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.791 -4.627 -1.279 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.273 -5.025 -3.685 1.00 0.27 C ATOM 0 H LEU A 14 2.853 0.063 -2.907 1.00 0.13 H new ATOM 0 HA LEU A 14 2.954 -1.925 -0.719 1.00 0.14 H new ATOM 0 HB2 LEU A 14 1.844 -3.061 -2.508 1.00 0.16 H new ATOM 0 HB3 LEU A 14 2.893 -2.351 -3.719 1.00 0.16 H new ATOM 0 HG LEU A 14 4.779 -3.706 -2.920 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.430 -5.510 -1.287 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.183 -3.902 -0.566 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.781 -4.913 -0.987 1.00 0.18 H new ATOM 0 HD21 LEU A 14 3.910 -5.909 -3.651 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.247 -5.308 -3.452 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.311 -4.589 -4.683 1.00 0.27 H new ATOM 187 N VAL A 15 5.398 -1.686 -0.632 1.00 0.13 N ATOM 188 CA VAL A 15 6.851 -1.593 -0.544 1.00 0.13 C ATOM 189 C VAL A 15 7.450 -2.990 -0.379 1.00 0.13 C ATOM 190 O VAL A 15 6.872 -3.842 0.301 1.00 0.15 O ATOM 191 CB VAL A 15 7.299 -0.694 0.636 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.816 -0.599 0.711 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.693 0.693 0.516 1.00 0.15 C ATOM 0 H VAL A 15 4.944 -1.995 0.228 1.00 0.13 H new ATOM 0 HA VAL A 15 7.211 -1.139 -1.468 1.00 0.13 H new ATOM 0 HB VAL A 15 6.940 -1.154 1.556 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.100 0.038 1.549 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.236 -1.595 0.854 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.200 -0.173 -0.216 1.00 0.13 H new ATOM 0 HG21 VAL A 15 7.021 1.307 1.355 1.00 0.15 H new ATOM 0 HG22 VAL A 15 7.017 1.152 -0.418 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.606 0.617 0.525 1.00 0.15 H new ATOM 203 N LYS A 16 8.587 -3.223 -1.017 1.00 0.15 N ATOM 204 CA LYS A 16 9.285 -4.500 -0.917 1.00 0.17 C ATOM 205 C LYS A 16 10.623 -4.303 -0.215 1.00 0.16 C ATOM 206 O LYS A 16 11.180 -3.206 -0.231 1.00 0.24 O ATOM 207 CB LYS A 16 9.507 -5.104 -2.306 1.00 0.23 C ATOM 208 CG LYS A 16 8.231 -5.547 -2.999 1.00 0.26 C ATOM 209 CD LYS A 16 7.544 -6.666 -2.235 1.00 0.37 C ATOM 210 CE LYS A 16 6.434 -7.308 -3.054 1.00 0.48 C ATOM 211 NZ LYS A 16 6.905 -7.744 -4.397 1.00 0.62 N ATOM 0 H LYS A 16 9.051 -2.539 -1.615 1.00 0.15 H new ATOM 0 HA LYS A 16 8.671 -5.188 -0.336 1.00 0.17 H new ATOM 0 HB2 LYS A 16 10.013 -4.370 -2.933 1.00 0.23 H new ATOM 0 HB3 LYS A 16 10.175 -5.960 -2.216 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.553 -4.699 -3.093 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.462 -5.883 -4.010 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.278 -7.423 -1.961 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.130 -6.272 -1.307 1.00 0.37 H new ATOM 0 HE2 LYS A 16 6.037 -8.167 -2.514 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.615 -6.599 -3.171 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 6.250 -8.455 -4.780 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 6.938 -6.924 -5.036 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.856 -8.157 -4.314 1.00 0.62 H new ATOM 225 N PHE A 17 11.143 -5.368 0.376 1.00 0.17 N ATOM 226 CA PHE A 17 12.374 -5.296 1.152 1.00 0.17 C ATOM 227 C PHE A 17 13.118 -6.620 1.083 1.00 0.19 C ATOM 228 O PHE A 17 12.553 -7.625 0.668 1.00 0.21 O ATOM 229 CB PHE A 17 12.081 -4.911 2.608 1.00 0.17 C ATOM 230 CG PHE A 17 11.115 -5.817 3.323 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.551 -6.987 3.924 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.774 -5.483 3.414 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.666 -7.807 4.598 1.00 0.23 C ATOM 234 CE2 PHE A 17 8.887 -6.297 4.090 1.00 0.23 C ATOM 235 CZ PHE A 17 9.333 -7.460 4.682 1.00 0.25 C ATOM 0 H PHE A 17 10.729 -6.299 0.333 1.00 0.17 H new ATOM 0 HA PHE A 17 13.007 -4.520 0.722 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.020 -4.898 3.161 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.686 -3.895 2.627 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.594 -7.261 3.865 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.418 -4.575 2.951 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.017 -8.719 5.059 1.00 0.23 H new ATOM 0 HE2 PHE A 17 7.844 -6.023 4.155 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.640 -8.098 5.210 1.00 0.25 H new ATOM 245 N SER A 18 14.393 -6.605 1.431 1.00 0.22 N ATOM 246 CA SER A 18 15.205 -7.812 1.426 1.00 0.26 C ATOM 247 C SER A 18 14.532 -8.931 2.218 1.00 0.30 C ATOM 248 O SER A 18 14.375 -8.835 3.436 1.00 0.30 O ATOM 249 CB SER A 18 16.583 -7.504 2.013 1.00 0.29 C ATOM 250 OG SER A 18 16.480 -6.928 3.307 1.00 1.04 O ATOM 0 H SER A 18 14.892 -5.765 1.723 1.00 0.22 H new ATOM 0 HA SER A 18 15.316 -8.151 0.396 1.00 0.26 H new ATOM 0 HB2 SER A 18 17.170 -8.421 2.067 1.00 0.29 H new ATOM 0 HB3 SER A 18 17.117 -6.822 1.351 1.00 0.29 H new ATOM 0 HG SER A 18 15.759 -7.367 3.804 1.00 1.04 H new ATOM 256 N GLY A 19 14.119 -9.982 1.519 1.00 0.35 N ATOM 257 CA GLY A 19 13.480 -11.094 2.183 1.00 0.45 C ATOM 258 C GLY A 19 11.969 -11.060 2.074 1.00 0.42 C ATOM 259 O GLY A 19 11.285 -11.832 2.747 1.00 0.53 O ATOM 0 H GLY A 19 14.216 -10.081 0.508 1.00 0.35 H new ATOM 0 HA2 GLY A 19 13.849 -12.026 1.755 1.00 0.45 H new ATOM 0 HA3 GLY A 19 13.763 -11.093 3.236 1.00 0.45 H new ATOM 263 N SER A 20 11.433 -10.175 1.233 1.00 0.34 N ATOM 264 CA SER A 20 9.991 -9.980 1.143 1.00 0.41 C ATOM 265 C SER A 20 9.295 -11.105 0.368 1.00 0.40 C ATOM 266 O SER A 20 8.208 -10.899 -0.173 1.00 0.45 O ATOM 267 CB SER A 20 9.702 -8.631 0.476 1.00 0.51 C ATOM 268 OG SER A 20 10.389 -8.508 -0.761 1.00 0.70 O ATOM 0 H SER A 20 11.978 -9.583 0.606 1.00 0.34 H new ATOM 0 HA SER A 20 9.591 -9.995 2.157 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.630 -8.527 0.310 1.00 0.51 H new ATOM 0 HB3 SER A 20 10.001 -7.822 1.142 1.00 0.51 H new ATOM 0 HG SER A 20 11.292 -8.162 -0.601 1.00 0.70 H new ATOM 274 N ARG A 21 9.933 -12.278 0.305 1.00 0.43 N ATOM 275 CA ARG A 21 9.446 -13.433 -0.469 1.00 0.49 C ATOM 276 C ARG A 21 9.557 -13.154 -1.966 1.00 0.51 C ATOM 277 O ARG A 21 9.833 -14.049 -2.766 1.00 0.60 O ATOM 278 CB ARG A 21 7.997 -13.794 -0.104 1.00 0.58 C ATOM 279 CG ARG A 21 7.807 -14.191 1.351 1.00 1.25 C ATOM 280 CD ARG A 21 6.401 -14.708 1.606 1.00 1.25 C ATOM 281 NE ARG A 21 6.176 -15.013 3.020 1.00 2.28 N ATOM 282 CZ ARG A 21 5.232 -15.843 3.467 1.00 2.47 C ATOM 283 NH1 ARG A 21 4.425 -16.460 2.613 1.00 1.89 N ATOM 284 NH2 ARG A 21 5.094 -16.051 4.772 1.00 3.49 N ATOM 0 H ARG A 21 10.810 -12.458 0.793 1.00 0.43 H new ATOM 0 HA ARG A 21 10.075 -14.286 -0.215 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.354 -12.942 -0.324 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.667 -14.615 -0.740 1.00 0.58 H new ATOM 0 HG2 ARG A 21 8.533 -14.959 1.618 1.00 1.25 H new ATOM 0 HG3 ARG A 21 8.002 -13.332 1.993 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.676 -13.964 1.276 1.00 1.25 H new ATOM 0 HD3 ARG A 21 6.231 -15.605 1.010 1.00 1.25 H new ATOM 0 HE ARG A 21 6.780 -14.562 3.708 1.00 2.28 H new ATOM 0 HH11 ARG A 21 4.525 -16.300 1.611 1.00 1.89 H new ATOM 0 HH12 ARG A 21 3.705 -17.094 2.959 1.00 1.89 H new ATOM 0 HH21 ARG A 21 5.710 -15.576 5.432 1.00 3.49 H new ATOM 0 HH22 ARG A 21 4.372 -16.686 5.114 1.00 3.49 H new ATOM 298 N ASN A 22 9.332 -11.904 -2.325 1.00 0.51 N ATOM 299 CA ASN A 22 9.511 -11.419 -3.674 1.00 0.62 C ATOM 300 C ASN A 22 10.130 -10.039 -3.599 1.00 0.58 C ATOM 301 O ASN A 22 9.441 -9.068 -3.272 1.00 0.64 O ATOM 302 CB ASN A 22 8.182 -11.320 -4.417 1.00 0.87 C ATOM 303 CG ASN A 22 7.320 -12.555 -4.271 1.00 0.93 C ATOM 304 OD1 ASN A 22 7.482 -13.531 -4.998 1.00 1.77 O ATOM 305 ND2 ASN A 22 6.379 -12.509 -3.339 1.00 0.80 N ATOM 0 H ASN A 22 9.014 -11.187 -1.673 1.00 0.51 H new ATOM 0 HA ASN A 22 10.150 -12.117 -4.215 1.00 0.62 H new ATOM 0 HB2 ASN A 22 7.631 -10.455 -4.047 1.00 0.87 H new ATOM 0 HB3 ASN A 22 8.378 -11.145 -5.475 1.00 0.87 H new ATOM 0 HD21 ASN A 22 5.755 -13.305 -3.205 1.00 0.80 H new ATOM 0 HD22 ASN A 22 6.279 -11.678 -2.756 1.00 0.80 H new ATOM 312 N PRO A 23 11.437 -9.936 -3.849 1.00 0.55 N ATOM 313 CA PRO A 23 12.153 -8.661 -3.821 1.00 0.61 C ATOM 314 C PRO A 23 11.726 -7.743 -4.970 1.00 0.79 C ATOM 315 O PRO A 23 10.661 -7.923 -5.561 1.00 1.71 O ATOM 316 CB PRO A 23 13.629 -9.057 -3.997 1.00 0.66 C ATOM 317 CG PRO A 23 13.675 -10.536 -3.800 1.00 0.73 C ATOM 318 CD PRO A 23 12.323 -11.057 -4.173 1.00 0.57 C ATOM 0 HA PRO A 23 11.954 -8.110 -2.902 1.00 0.61 H new ATOM 0 HB2 PRO A 23 13.993 -8.782 -4.987 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.261 -8.545 -3.271 1.00 0.66 H new ATOM 0 HG2 PRO A 23 14.449 -10.986 -4.421 1.00 0.73 H new ATOM 0 HG3 PRO A 23 13.914 -10.782 -2.765 1.00 0.73 H new ATOM 0 HD2 PRO A 23 12.270 -11.321 -5.229 1.00 0.57 H new ATOM 0 HD3 PRO A 23 12.065 -11.952 -3.607 1.00 0.57 H new ATOM 326 N VAL A 24 12.590 -6.779 -5.285 1.00 0.39 N ATOM 327 CA VAL A 24 12.373 -5.829 -6.380 1.00 0.36 C ATOM 328 C VAL A 24 11.131 -4.969 -6.153 1.00 0.32 C ATOM 329 O VAL A 24 10.007 -5.443 -6.254 1.00 0.35 O ATOM 330 CB VAL A 24 12.245 -6.533 -7.747 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.268 -5.511 -8.876 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.345 -7.569 -7.932 1.00 0.48 C ATOM 0 H VAL A 24 13.467 -6.633 -4.785 1.00 0.39 H new ATOM 0 HA VAL A 24 13.256 -5.190 -6.391 1.00 0.36 H new ATOM 0 HB VAL A 24 11.288 -7.054 -7.774 1.00 0.42 H new ATOM 0 HG11 VAL A 24 12.177 -6.024 -9.833 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.436 -4.817 -8.756 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.208 -4.959 -8.848 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.232 -8.050 -8.903 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.318 -7.080 -7.881 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.274 -8.319 -7.145 1.00 0.48 H new ATOM 342 N SER A 25 11.344 -3.710 -5.828 1.00 0.32 N ATOM 343 CA SER A 25 10.246 -2.770 -5.683 1.00 0.32 C ATOM 344 C SER A 25 10.185 -1.860 -6.906 1.00 0.32 C ATOM 345 O SER A 25 11.195 -1.666 -7.583 1.00 0.36 O ATOM 346 CB SER A 25 10.440 -1.947 -4.407 1.00 0.42 C ATOM 347 OG SER A 25 11.698 -1.291 -4.406 1.00 1.12 O ATOM 0 H SER A 25 12.268 -3.312 -5.659 1.00 0.32 H new ATOM 0 HA SER A 25 9.305 -3.314 -5.607 1.00 0.32 H new ATOM 0 HB2 SER A 25 9.642 -1.209 -4.322 1.00 0.42 H new ATOM 0 HB3 SER A 25 10.366 -2.598 -3.536 1.00 0.42 H new ATOM 0 HG SER A 25 11.795 -0.772 -3.581 1.00 1.12 H new ATOM 353 N ARG A 26 9.009 -1.296 -7.190 1.00 0.32 N ATOM 354 CA ARG A 26 8.872 -0.313 -8.272 1.00 0.34 C ATOM 355 C ARG A 26 9.640 0.959 -7.937 1.00 0.37 C ATOM 356 O ARG A 26 9.792 1.849 -8.773 1.00 0.44 O ATOM 357 CB ARG A 26 7.403 0.014 -8.550 1.00 0.39 C ATOM 358 CG ARG A 26 6.798 -0.812 -9.684 1.00 0.52 C ATOM 359 CD ARG A 26 7.113 -2.293 -9.547 1.00 0.82 C ATOM 360 NE ARG A 26 6.718 -3.049 -10.730 1.00 1.21 N ATOM 361 CZ ARG A 26 6.625 -4.376 -10.769 1.00 1.88 C ATOM 362 NH1 ARG A 26 6.880 -5.101 -9.685 1.00 2.47 N ATOM 363 NH2 ARG A 26 6.276 -4.979 -11.898 1.00 2.54 N ATOM 0 H ARG A 26 8.143 -1.500 -6.691 1.00 0.32 H new ATOM 0 HA ARG A 26 9.294 -0.755 -9.175 1.00 0.34 H new ATOM 0 HB2 ARG A 26 6.824 -0.152 -7.642 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.315 1.072 -8.795 1.00 0.39 H new ATOM 0 HG2 ARG A 26 5.717 -0.672 -9.697 1.00 0.52 H new ATOM 0 HG3 ARG A 26 7.178 -0.448 -10.639 1.00 0.52 H new ATOM 0 HD2 ARG A 26 8.182 -2.422 -9.375 1.00 0.82 H new ATOM 0 HD3 ARG A 26 6.599 -2.693 -8.673 1.00 0.82 H new ATOM 0 HE ARG A 26 6.500 -2.529 -11.580 1.00 1.21 H new ATOM 0 HH11 ARG A 26 7.149 -4.641 -8.815 1.00 2.47 H new ATOM 0 HH12 ARG A 26 6.807 -6.118 -9.723 1.00 2.47 H new ATOM 0 HH21 ARG A 26 6.080 -4.426 -12.732 1.00 2.54 H new ATOM 0 HH22 ARG A 26 6.204 -5.996 -11.932 1.00 2.54 H new ATOM 377 N ARG A 27 10.136 1.018 -6.707 1.00 0.36 N ATOM 378 CA ARG A 27 10.914 2.148 -6.231 1.00 0.44 C ATOM 379 C ARG A 27 12.381 1.975 -6.609 1.00 0.53 C ATOM 380 O ARG A 27 13.112 2.951 -6.776 1.00 0.73 O ATOM 381 CB ARG A 27 10.776 2.260 -4.711 1.00 0.52 C ATOM 382 CG ARG A 27 10.468 3.662 -4.225 1.00 0.55 C ATOM 383 CD ARG A 27 11.692 4.562 -4.200 1.00 0.70 C ATOM 384 NE ARG A 27 12.624 4.177 -3.143 1.00 0.91 N ATOM 385 CZ ARG A 27 13.942 4.064 -3.302 1.00 1.12 C ATOM 386 NH1 ARG A 27 14.507 4.320 -4.480 1.00 1.77 N ATOM 387 NH2 ARG A 27 14.697 3.700 -2.277 1.00 1.63 N ATOM 0 H ARG A 27 10.008 0.281 -6.013 1.00 0.36 H new ATOM 0 HA ARG A 27 10.539 3.060 -6.696 1.00 0.44 H new ATOM 0 HB2 ARG A 27 9.985 1.588 -4.377 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.701 1.920 -4.246 1.00 0.52 H new ATOM 0 HG2 ARG A 27 9.710 4.106 -4.870 1.00 0.55 H new ATOM 0 HG3 ARG A 27 10.042 3.608 -3.223 1.00 0.55 H new ATOM 0 HD2 ARG A 27 12.197 4.516 -5.165 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.381 5.596 -4.052 1.00 0.70 H new ATOM 0 HE ARG A 27 12.239 3.981 -2.219 1.00 0.91 H new ATOM 0 HH11 ARG A 27 13.930 4.606 -5.271 1.00 1.77 H new ATOM 0 HH12 ARG A 27 15.517 4.231 -4.591 1.00 1.77 H new ATOM 0 HH21 ARG A 27 14.269 3.508 -1.371 1.00 1.63 H new ATOM 0 HH22 ARG A 27 15.707 3.612 -2.393 1.00 1.63 H new ATOM 401 N THR A 28 12.799 0.724 -6.749 1.00 0.45 N ATOM 402 CA THR A 28 14.192 0.410 -7.023 1.00 0.53 C ATOM 403 C THR A 28 14.375 -0.077 -8.452 1.00 0.55 C ATOM 404 O THR A 28 15.381 0.209 -9.102 1.00 0.67 O ATOM 405 CB THR A 28 14.686 -0.671 -6.048 1.00 0.55 C ATOM 406 OG1 THR A 28 13.771 -1.778 -6.042 1.00 0.55 O ATOM 407 CG2 THR A 28 14.789 -0.109 -4.648 1.00 0.53 C ATOM 0 H THR A 28 12.190 -0.091 -6.677 1.00 0.45 H new ATOM 0 HA THR A 28 14.775 1.322 -6.891 1.00 0.53 H new ATOM 0 HB THR A 28 15.670 -1.007 -6.375 1.00 0.55 H new ATOM 0 HG1 THR A 28 13.024 -1.581 -5.439 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.140 -0.886 -3.969 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.492 0.724 -4.641 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.809 0.241 -4.323 1.00 0.53 H new ATOM 415 N GLY A 29 13.385 -0.807 -8.934 1.00 0.47 N ATOM 416 CA GLY A 29 13.379 -1.260 -10.314 1.00 0.52 C ATOM 417 C GLY A 29 14.242 -2.487 -10.552 1.00 0.58 C ATOM 418 O GLY A 29 13.917 -3.324 -11.394 1.00 0.82 O ATOM 0 H GLY A 29 12.574 -1.099 -8.389 1.00 0.47 H new ATOM 0 HA2 GLY A 29 12.354 -1.483 -10.610 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.727 -0.450 -10.955 1.00 0.52 H new ATOM 422 N ASP A 30 15.346 -2.593 -9.828 1.00 0.53 N ATOM 423 CA ASP A 30 16.239 -3.736 -9.968 1.00 0.58 C ATOM 424 C ASP A 30 16.089 -4.680 -8.788 1.00 0.55 C ATOM 425 O ASP A 30 15.632 -5.810 -8.946 1.00 0.84 O ATOM 426 CB ASP A 30 17.699 -3.292 -10.094 1.00 0.67 C ATOM 427 CG ASP A 30 18.662 -4.467 -10.095 1.00 1.31 C ATOM 428 OD1 ASP A 30 18.901 -5.047 -11.175 1.00 1.69 O ATOM 429 OD2 ASP A 30 19.186 -4.819 -9.017 1.00 2.10 O ATOM 0 H ASP A 30 15.646 -1.904 -9.139 1.00 0.53 H new ATOM 0 HA ASP A 30 15.959 -4.259 -10.882 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.825 -2.722 -11.014 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.946 -2.624 -9.269 1.00 0.67 H new ATOM 434 N SER A 31 16.476 -4.217 -7.604 1.00 0.53 N ATOM 435 CA SER A 31 16.396 -5.034 -6.405 1.00 0.50 C ATOM 436 C SER A 31 16.227 -4.170 -5.161 1.00 0.42 C ATOM 437 O SER A 31 16.688 -3.031 -5.111 1.00 0.48 O ATOM 438 CB SER A 31 17.645 -5.887 -6.255 1.00 0.62 C ATOM 439 OG SER A 31 17.906 -6.650 -7.421 1.00 1.08 O ATOM 0 H SER A 31 16.848 -3.279 -7.452 1.00 0.53 H new ATOM 0 HA SER A 31 15.524 -5.680 -6.507 1.00 0.50 H new ATOM 0 HB2 SER A 31 18.500 -5.245 -6.042 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.528 -6.556 -5.402 1.00 0.62 H new ATOM 0 HG SER A 31 18.425 -6.112 -8.055 1.00 1.08 H new ATOM 445 N THR A 32 15.571 -4.730 -4.160 1.00 0.34 N ATOM 446 CA THR A 32 15.367 -4.046 -2.892 1.00 0.29 C ATOM 447 C THR A 32 15.927 -4.906 -1.756 1.00 0.27 C ATOM 448 O THR A 32 15.603 -4.729 -0.586 1.00 0.28 O ATOM 449 CB THR A 32 13.866 -3.718 -2.671 1.00 0.27 C ATOM 450 OG1 THR A 32 13.668 -2.988 -1.460 1.00 0.27 O ATOM 451 CG2 THR A 32 13.022 -4.980 -2.646 1.00 0.29 C ATOM 0 H THR A 32 15.166 -5.665 -4.201 1.00 0.34 H new ATOM 0 HA THR A 32 15.901 -3.096 -2.907 1.00 0.29 H new ATOM 0 HB THR A 32 13.549 -3.100 -3.511 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.765 -3.157 -1.120 1.00 0.27 H new ATOM 0 HG21 THR A 32 11.976 -4.715 -2.490 1.00 0.29 H new ATOM 0 HG22 THR A 32 13.125 -5.506 -3.595 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.358 -5.626 -1.835 1.00 0.29 H new ATOM 459 N ALA A 33 16.798 -5.839 -2.132 1.00 0.31 N ATOM 460 CA ALA A 33 17.476 -6.716 -1.181 1.00 0.32 C ATOM 461 C ALA A 33 18.460 -5.954 -0.283 1.00 0.34 C ATOM 462 O ALA A 33 19.047 -6.526 0.633 1.00 0.37 O ATOM 463 CB ALA A 33 18.198 -7.828 -1.925 1.00 0.37 C ATOM 0 H ALA A 33 17.054 -6.008 -3.105 1.00 0.31 H new ATOM 0 HA ALA A 33 16.713 -7.144 -0.531 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.701 -8.478 -1.209 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.477 -8.410 -2.499 1.00 0.37 H new ATOM 0 HB3 ALA A 33 18.935 -7.395 -2.602 1.00 0.37 H new ATOM 469 N ASP A 34 18.640 -4.670 -0.553 1.00 0.35 N ATOM 470 CA ASP A 34 19.554 -3.842 0.233 1.00 0.40 C ATOM 471 C ASP A 34 18.823 -3.151 1.375 1.00 0.36 C ATOM 472 O ASP A 34 19.427 -2.787 2.383 1.00 0.43 O ATOM 473 CB ASP A 34 20.239 -2.794 -0.646 1.00 0.49 C ATOM 474 CG ASP A 34 21.299 -3.392 -1.544 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.325 -3.873 -1.020 1.00 1.31 O ATOM 476 OD2 ASP A 34 21.113 -3.388 -2.781 1.00 2.21 O ATOM 0 H ASP A 34 18.167 -4.175 -1.309 1.00 0.35 H new ATOM 0 HA ASP A 34 20.313 -4.503 0.651 1.00 0.40 H new ATOM 0 HB2 ASP A 34 19.490 -2.293 -1.259 1.00 0.49 H new ATOM 0 HB3 ASP A 34 20.693 -2.033 -0.011 1.00 0.49 H new ATOM 481 N VAL A 35 17.524 -2.972 1.211 1.00 0.31 N ATOM 482 CA VAL A 35 16.706 -2.317 2.220 1.00 0.28 C ATOM 483 C VAL A 35 15.928 -3.361 3.019 1.00 0.25 C ATOM 484 O VAL A 35 15.396 -4.316 2.455 1.00 0.25 O ATOM 485 CB VAL A 35 15.763 -1.256 1.582 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.630 -1.467 0.082 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.392 -1.260 2.239 1.00 0.26 C ATOM 0 H VAL A 35 17.009 -3.273 0.383 1.00 0.31 H new ATOM 0 HA VAL A 35 17.361 -1.782 2.908 1.00 0.28 H new ATOM 0 HB VAL A 35 16.217 -0.280 1.753 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.965 -0.710 -0.334 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.611 -1.385 -0.385 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.218 -2.458 -0.111 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.761 -0.507 1.768 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.935 -2.242 2.121 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.496 -1.034 3.300 1.00 0.26 H new ATOM 497 N THR A 36 15.879 -3.179 4.334 1.00 0.25 N ATOM 498 CA THR A 36 15.287 -4.166 5.222 1.00 0.27 C ATOM 499 C THR A 36 13.835 -3.825 5.483 1.00 0.23 C ATOM 500 O THR A 36 13.363 -2.795 5.016 1.00 0.20 O ATOM 501 CB THR A 36 16.028 -4.211 6.567 1.00 0.31 C ATOM 502 OG1 THR A 36 15.989 -2.914 7.182 1.00 0.30 O ATOM 503 CG2 THR A 36 17.469 -4.658 6.377 1.00 0.39 C ATOM 0 H THR A 36 16.244 -2.353 4.808 1.00 0.25 H new ATOM 0 HA THR A 36 15.364 -5.139 4.736 1.00 0.27 H new ATOM 0 HB THR A 36 15.532 -4.934 7.215 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.709 -2.358 6.818 1.00 0.30 H new ATOM 0 HG21 THR A 36 17.973 -4.682 7.343 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.486 -5.654 5.934 1.00 0.39 H new ATOM 0 HG23 THR A 36 17.983 -3.959 5.717 1.00 0.39 H new ATOM 511 N TYR A 37 13.127 -4.654 6.236 1.00 0.26 N ATOM 512 CA TYR A 37 11.752 -4.328 6.578 1.00 0.27 C ATOM 513 C TYR A 37 11.726 -3.054 7.418 1.00 0.23 C ATOM 514 O TYR A 37 10.799 -2.261 7.324 1.00 0.23 O ATOM 515 CB TYR A 37 11.051 -5.491 7.299 1.00 0.38 C ATOM 516 CG TYR A 37 11.408 -5.666 8.761 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.612 -6.238 9.148 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.518 -5.276 9.755 1.00 1.16 C ATOM 519 CE1 TYR A 37 12.920 -6.414 10.483 1.00 0.74 C ATOM 520 CE2 TYR A 37 10.820 -5.445 11.090 1.00 1.53 C ATOM 521 CZ TYR A 37 12.020 -6.014 11.450 1.00 1.12 C ATOM 522 OH TYR A 37 12.320 -6.189 12.781 1.00 1.50 O ATOM 0 H TYR A 37 13.472 -5.537 6.614 1.00 0.26 H new ATOM 0 HA TYR A 37 11.196 -4.156 5.656 1.00 0.27 H new ATOM 0 HB2 TYR A 37 9.973 -5.346 7.222 1.00 0.38 H new ATOM 0 HB3 TYR A 37 11.287 -6.416 6.773 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.319 -6.550 8.394 1.00 0.68 H new ATOM 0 HD2 TYR A 37 9.573 -4.833 9.477 1.00 1.16 H new ATOM 0 HE1 TYR A 37 13.860 -6.862 10.769 1.00 0.74 H new ATOM 0 HE2 TYR A 37 10.118 -5.132 11.849 1.00 1.53 H new ATOM 0 HH TYR A 37 11.581 -5.853 13.330 1.00 1.50 H new ATOM 532 N GLU A 38 12.788 -2.840 8.188 1.00 0.23 N ATOM 533 CA GLU A 38 12.921 -1.649 9.019 1.00 0.24 C ATOM 534 C GLU A 38 13.128 -0.414 8.155 1.00 0.24 C ATOM 535 O GLU A 38 12.468 0.608 8.342 1.00 0.26 O ATOM 536 CB GLU A 38 14.105 -1.812 9.975 1.00 0.29 C ATOM 537 CG GLU A 38 13.921 -2.922 10.991 1.00 0.35 C ATOM 538 CD GLU A 38 13.016 -2.524 12.138 1.00 0.67 C ATOM 539 OE1 GLU A 38 11.816 -2.281 11.886 1.00 0.93 O ATOM 540 OE2 GLU A 38 13.492 -2.441 13.287 1.00 0.96 O ATOM 0 H GLU A 38 13.577 -3.484 8.253 1.00 0.23 H new ATOM 0 HA GLU A 38 12.004 -1.524 9.594 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.005 -2.010 9.393 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.266 -0.872 10.503 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.505 -3.798 10.494 1.00 0.35 H new ATOM 0 HG3 GLU A 38 14.895 -3.212 11.386 1.00 0.35 H new ATOM 547 N ASP A 39 14.044 -0.519 7.201 1.00 0.24 N ATOM 548 CA ASP A 39 14.332 0.589 6.295 1.00 0.26 C ATOM 549 C ASP A 39 13.169 0.804 5.340 1.00 0.22 C ATOM 550 O ASP A 39 12.937 1.912 4.859 1.00 0.23 O ATOM 551 CB ASP A 39 15.614 0.330 5.501 1.00 0.31 C ATOM 552 CG ASP A 39 16.846 0.297 6.378 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.228 1.360 6.910 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.430 -0.792 6.547 1.00 0.82 O ATOM 0 H ASP A 39 14.600 -1.358 7.033 1.00 0.24 H new ATOM 0 HA ASP A 39 14.474 1.487 6.896 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.524 -0.619 4.972 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.732 1.106 4.745 1.00 0.31 H new ATOM 559 N ALA A 40 12.444 -0.271 5.074 1.00 0.19 N ATOM 560 CA ALA A 40 11.268 -0.217 4.216 1.00 0.18 C ATOM 561 C ALA A 40 10.112 0.439 4.947 1.00 0.16 C ATOM 562 O ALA A 40 9.348 1.202 4.360 1.00 0.17 O ATOM 563 CB ALA A 40 10.874 -1.607 3.745 1.00 0.18 C ATOM 0 H ALA A 40 12.651 -1.199 5.443 1.00 0.19 H new ATOM 0 HA ALA A 40 11.515 0.382 3.339 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.993 -1.539 3.106 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.697 -2.047 3.182 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.648 -2.233 4.608 1.00 0.18 H new ATOM 569 N ILE A 41 9.981 0.134 6.234 1.00 0.16 N ATOM 570 CA ILE A 41 8.991 0.797 7.063 1.00 0.18 C ATOM 571 C ILE A 41 9.326 2.271 7.171 1.00 0.20 C ATOM 572 O ILE A 41 8.437 3.118 7.146 1.00 0.21 O ATOM 573 CB ILE A 41 8.880 0.171 8.476 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.277 -1.233 8.394 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.032 1.053 9.382 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.256 -1.972 9.713 1.00 0.30 C ATOM 0 H ILE A 41 10.545 -0.563 6.719 1.00 0.16 H new ATOM 0 HA ILE A 41 8.021 0.667 6.582 1.00 0.18 H new ATOM 0 HB ILE A 41 9.882 0.096 8.898 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.258 -1.158 8.015 1.00 0.24 H new ATOM 0 HG13 ILE A 41 8.844 -1.819 7.670 1.00 0.24 H new ATOM 0 HG21 ILE A 41 7.964 0.600 10.371 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.492 2.038 9.465 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.032 1.154 8.959 1.00 0.27 H new ATOM 0 HD11 ILE A 41 7.814 -2.958 9.571 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.275 -2.081 10.085 1.00 0.30 H new ATOM 0 HD13 ILE A 41 7.664 -1.410 10.436 1.00 0.30 H new ATOM 588 N LYS A 42 10.617 2.580 7.236 1.00 0.22 N ATOM 589 CA LYS A 42 11.052 3.969 7.253 1.00 0.28 C ATOM 590 C LYS A 42 10.684 4.658 5.948 1.00 0.28 C ATOM 591 O LYS A 42 10.514 5.869 5.902 1.00 0.37 O ATOM 592 CB LYS A 42 12.550 4.092 7.486 1.00 0.31 C ATOM 593 CG LYS A 42 12.937 4.007 8.946 1.00 0.85 C ATOM 594 CD LYS A 42 14.430 4.221 9.138 1.00 1.14 C ATOM 595 CE LYS A 42 14.838 5.658 8.822 1.00 1.46 C ATOM 596 NZ LYS A 42 14.323 6.617 9.835 1.00 2.32 N ATOM 0 H LYS A 42 11.372 1.895 7.277 1.00 0.22 H new ATOM 0 HA LYS A 42 10.538 4.455 8.082 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.062 3.303 6.935 1.00 0.31 H new ATOM 0 HB3 LYS A 42 12.897 5.042 7.080 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.385 4.755 9.514 1.00 0.85 H new ATOM 0 HG3 LYS A 42 12.654 3.032 9.343 1.00 0.85 H new ATOM 0 HD2 LYS A 42 14.703 3.983 10.166 1.00 1.14 H new ATOM 0 HD3 LYS A 42 14.982 3.536 8.495 1.00 1.14 H new ATOM 0 HE2 LYS A 42 15.925 5.725 8.778 1.00 1.46 H new ATOM 0 HE3 LYS A 42 14.462 5.934 7.837 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 14.783 7.541 9.704 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 13.295 6.723 9.721 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 14.531 6.259 10.789 1.00 2.32 H new ATOM 610 N GLU A 43 10.545 3.867 4.896 1.00 0.22 N ATOM 611 CA GLU A 43 10.213 4.397 3.588 1.00 0.25 C ATOM 612 C GLU A 43 8.708 4.581 3.473 1.00 0.18 C ATOM 613 O GLU A 43 8.227 5.666 3.142 1.00 0.18 O ATOM 614 CB GLU A 43 10.742 3.472 2.484 1.00 0.33 C ATOM 615 CG GLU A 43 10.138 3.741 1.116 1.00 0.34 C ATOM 616 CD GLU A 43 11.077 3.409 -0.021 1.00 0.55 C ATOM 617 OE1 GLU A 43 11.381 2.220 -0.229 1.00 1.02 O ATOM 618 OE2 GLU A 43 11.527 4.352 -0.705 1.00 0.94 O ATOM 0 H GLU A 43 10.658 2.854 4.925 1.00 0.22 H new ATOM 0 HA GLU A 43 10.690 5.369 3.465 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.825 3.580 2.420 1.00 0.33 H new ATOM 0 HB3 GLU A 43 10.541 2.438 2.762 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.224 3.157 1.007 1.00 0.34 H new ATOM 0 HG3 GLU A 43 9.854 4.791 1.051 1.00 0.34 H new ATOM 625 N LEU A 44 7.972 3.523 3.785 1.00 0.16 N ATOM 626 CA LEU A 44 6.522 3.555 3.715 1.00 0.15 C ATOM 627 C LEU A 44 5.964 4.618 4.662 1.00 0.14 C ATOM 628 O LEU A 44 5.013 5.321 4.325 1.00 0.16 O ATOM 629 CB LEU A 44 5.942 2.179 4.058 1.00 0.13 C ATOM 630 CG LEU A 44 4.435 2.036 3.822 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.106 2.239 2.356 1.00 0.17 C ATOM 632 CD2 LEU A 44 3.945 0.675 4.278 1.00 0.14 C ATOM 0 H LEU A 44 8.359 2.630 4.090 1.00 0.16 H new ATOM 0 HA LEU A 44 6.231 3.812 2.697 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.461 1.425 3.466 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.153 1.963 5.105 1.00 0.13 H new ATOM 0 HG LEU A 44 3.928 2.802 4.408 1.00 0.15 H new ATOM 0 HD11 LEU A 44 3.031 2.134 2.206 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.420 3.236 2.047 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.630 1.493 1.759 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.872 0.596 4.101 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.463 -0.104 3.719 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.147 0.554 5.342 1.00 0.14 H new ATOM 644 N GLN A 45 6.580 4.739 5.841 1.00 0.14 N ATOM 645 CA GLN A 45 6.154 5.713 6.847 1.00 0.14 C ATOM 646 C GLN A 45 6.266 7.142 6.344 1.00 0.17 C ATOM 647 O GLN A 45 5.409 7.971 6.637 1.00 0.27 O ATOM 648 CB GLN A 45 6.971 5.554 8.130 1.00 0.16 C ATOM 649 CG GLN A 45 6.310 4.654 9.156 1.00 0.22 C ATOM 650 CD GLN A 45 5.235 5.373 9.947 1.00 0.36 C ATOM 651 OE1 GLN A 45 4.007 5.332 9.456 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 5.506 5.963 10.992 1.00 0.44 N flip ATOM 0 H GLN A 45 7.379 4.171 6.122 1.00 0.14 H new ATOM 0 HA GLN A 45 5.103 5.513 7.057 1.00 0.14 H new ATOM 0 HB2 GLN A 45 7.952 5.149 7.880 1.00 0.16 H new ATOM 0 HB3 GLN A 45 7.135 6.537 8.572 1.00 0.16 H new ATOM 0 HG2 GLN A 45 5.872 3.793 8.652 1.00 0.22 H new ATOM 0 HG3 GLN A 45 7.067 4.271 9.841 1.00 0.22 H new ATOM 0 HE21 GLN A 45 6.465 5.972 11.339 1.00 0.44 H new ATOM 0 HE22 GLN A 45 4.771 6.443 11.512 1.00 0.44 H new ATOM 661 N LYS A 46 7.313 7.429 5.589 1.00 0.14 N ATOM 662 CA LYS A 46 7.538 8.780 5.098 1.00 0.17 C ATOM 663 C LYS A 46 6.549 9.134 3.996 1.00 0.18 C ATOM 664 O LYS A 46 6.054 10.260 3.934 1.00 0.21 O ATOM 665 CB LYS A 46 8.976 8.935 4.606 1.00 0.22 C ATOM 666 CG LYS A 46 9.997 8.808 5.724 1.00 0.27 C ATOM 667 CD LYS A 46 11.420 8.903 5.205 1.00 0.39 C ATOM 668 CE LYS A 46 12.433 8.714 6.324 1.00 0.49 C ATOM 669 NZ LYS A 46 12.223 9.687 7.430 1.00 1.31 N ATOM 0 H LYS A 46 8.018 6.749 5.303 1.00 0.14 H new ATOM 0 HA LYS A 46 7.378 9.473 5.924 1.00 0.17 H new ATOM 0 HB2 LYS A 46 9.179 8.179 3.847 1.00 0.22 H new ATOM 0 HB3 LYS A 46 9.088 9.907 4.126 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.827 9.592 6.462 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.860 7.855 6.234 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.580 8.147 4.436 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.573 9.874 4.734 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.359 7.699 6.714 1.00 0.49 H new ATOM 0 HE3 LYS A 46 13.441 8.829 5.925 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 13.049 9.679 8.061 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 12.099 10.641 7.034 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.373 9.423 7.968 1.00 1.31 H new ATOM 683 N TRP A 47 6.249 8.172 3.135 1.00 0.16 N ATOM 684 CA TRP A 47 5.282 8.397 2.070 1.00 0.19 C ATOM 685 C TRP A 47 3.869 8.503 2.633 1.00 0.19 C ATOM 686 O TRP A 47 3.133 9.420 2.271 1.00 0.22 O ATOM 687 CB TRP A 47 5.366 7.294 1.012 1.00 0.20 C ATOM 688 CG TRP A 47 6.745 7.115 0.446 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.389 5.933 0.225 1.00 0.18 C ATOM 690 CD2 TRP A 47 7.663 8.148 0.052 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.642 6.166 -0.287 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.833 7.515 -0.399 1.00 0.32 C ATOM 693 CE3 TRP A 47 7.609 9.546 0.031 1.00 0.41 C ATOM 694 CZ2 TRP A 47 9.937 8.225 -0.857 1.00 0.43 C ATOM 695 CZ3 TRP A 47 8.706 10.250 -0.425 1.00 0.52 C ATOM 696 CH2 TRP A 47 9.857 9.589 -0.864 1.00 0.52 C ATOM 0 H TRP A 47 6.657 7.237 3.152 1.00 0.16 H new ATOM 0 HA TRP A 47 5.526 9.344 1.589 1.00 0.19 H new ATOM 0 HB2 TRP A 47 5.037 6.353 1.452 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.676 7.525 0.201 1.00 0.20 H new ATOM 0 HD1 TRP A 47 6.974 4.956 0.424 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.320 5.448 -0.542 1.00 0.24 H new ATOM 0 HE3 TRP A 47 6.724 10.066 0.366 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 10.827 7.716 -1.196 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 8.674 11.329 -0.443 1.00 0.52 H new ATOM 0 HH2 TRP A 47 10.699 10.167 -1.215 1.00 0.52 H new ATOM 707 N SER A 48 3.495 7.593 3.533 1.00 0.17 N ATOM 708 CA SER A 48 2.182 7.656 4.163 1.00 0.19 C ATOM 709 C SER A 48 2.066 8.924 5.008 1.00 0.20 C ATOM 710 O SER A 48 0.976 9.465 5.182 1.00 0.28 O ATOM 711 CB SER A 48 1.908 6.398 5.007 1.00 0.23 C ATOM 712 OG SER A 48 2.830 6.247 6.078 1.00 0.82 O ATOM 0 H SER A 48 4.077 6.813 3.838 1.00 0.17 H new ATOM 0 HA SER A 48 1.425 7.692 3.380 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.896 6.448 5.408 1.00 0.23 H new ATOM 0 HB3 SER A 48 1.954 5.518 4.366 1.00 0.23 H new ATOM 0 HG SER A 48 3.693 5.942 5.727 1.00 0.82 H new ATOM 718 N GLN A 49 3.206 9.399 5.509 1.00 0.17 N ATOM 719 CA GLN A 49 3.264 10.653 6.250 1.00 0.17 C ATOM 720 C GLN A 49 2.900 11.811 5.338 1.00 0.18 C ATOM 721 O GLN A 49 2.030 12.620 5.657 1.00 0.21 O ATOM 722 CB GLN A 49 4.669 10.878 6.805 1.00 0.19 C ATOM 723 CG GLN A 49 4.731 11.931 7.895 1.00 0.23 C ATOM 724 CD GLN A 49 6.153 12.323 8.238 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.796 11.705 9.089 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.653 13.359 7.586 1.00 0.45 N ATOM 0 H GLN A 49 4.106 8.929 5.413 1.00 0.17 H new ATOM 0 HA GLN A 49 2.555 10.598 7.076 1.00 0.17 H new ATOM 0 HB2 GLN A 49 5.050 9.936 7.200 1.00 0.19 H new ATOM 0 HB3 GLN A 49 5.330 11.172 5.990 1.00 0.19 H new ATOM 0 HG2 GLN A 49 4.181 12.815 7.574 1.00 0.23 H new ATOM 0 HG3 GLN A 49 4.235 11.554 8.789 1.00 0.23 H new ATOM 0 HE21 GLN A 49 6.088 13.844 6.889 1.00 0.45 H new ATOM 0 HE22 GLN A 49 7.604 13.673 7.780 1.00 0.45 H new ATOM 735 N ARG A 50 3.577 11.876 4.196 1.00 0.16 N ATOM 736 CA ARG A 50 3.341 12.929 3.218 1.00 0.16 C ATOM 737 C ARG A 50 1.908 12.893 2.705 1.00 0.14 C ATOM 738 O ARG A 50 1.252 13.927 2.612 1.00 0.15 O ATOM 739 CB ARG A 50 4.297 12.801 2.036 1.00 0.15 C ATOM 740 CG ARG A 50 5.753 13.061 2.365 1.00 0.19 C ATOM 741 CD ARG A 50 6.599 12.968 1.109 1.00 0.20 C ATOM 742 NE ARG A 50 7.988 13.364 1.327 1.00 0.27 N ATOM 743 CZ ARG A 50 8.789 13.812 0.358 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.327 13.951 -0.878 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.048 14.128 0.626 1.00 0.42 N ATOM 0 H ARG A 50 4.298 11.207 3.925 1.00 0.16 H new ATOM 0 HA ARG A 50 3.516 13.880 3.722 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.207 11.797 1.621 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.985 13.497 1.258 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.861 14.049 2.813 1.00 0.19 H new ATOM 0 HG3 ARG A 50 6.102 12.337 3.102 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.573 11.945 0.735 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.163 13.601 0.336 1.00 0.20 H new ATOM 0 HE ARG A 50 8.367 13.294 2.272 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.357 13.715 -1.090 1.00 0.35 H new ATOM 0 HH12 ARG A 50 8.941 14.294 -1.617 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.408 14.029 1.575 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.657 14.470 -0.117 1.00 0.42 H new ATOM 759 N ILE A 51 1.440 11.703 2.352 1.00 0.13 N ATOM 760 CA ILE A 51 0.064 11.518 1.901 1.00 0.13 C ATOM 761 C ILE A 51 -0.927 12.017 2.955 1.00 0.16 C ATOM 762 O ILE A 51 -1.899 12.704 2.633 1.00 0.20 O ATOM 763 CB ILE A 51 -0.224 10.034 1.580 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.691 9.541 0.456 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.681 9.838 1.195 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.557 8.059 0.171 1.00 0.13 C ATOM 0 H ILE A 51 1.995 10.847 2.369 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.061 12.103 0.990 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.023 9.448 2.477 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.468 10.099 -0.454 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.726 9.760 0.719 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.860 8.786 0.973 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.321 10.149 2.021 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -1.908 10.438 0.314 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.235 7.781 -0.636 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.808 7.492 1.067 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.469 7.836 -0.123 1.00 0.13 H new ATOM 778 N ALA A 52 -0.660 11.683 4.214 1.00 0.16 N ATOM 779 CA ALA A 52 -1.525 12.078 5.316 1.00 0.20 C ATOM 780 C ALA A 52 -1.500 13.588 5.548 1.00 0.22 C ATOM 781 O ALA A 52 -2.544 14.206 5.773 1.00 0.27 O ATOM 782 CB ALA A 52 -1.120 11.342 6.584 1.00 0.21 C ATOM 0 H ALA A 52 0.154 11.136 4.495 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.547 11.807 5.050 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -1.772 11.643 7.404 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.210 10.267 6.425 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.088 11.587 6.833 1.00 0.21 H new ATOM 788 N SER A 53 -0.313 14.182 5.492 1.00 0.22 N ATOM 789 CA SER A 53 -0.166 15.608 5.758 1.00 0.26 C ATOM 790 C SER A 53 -0.608 16.446 4.560 1.00 0.28 C ATOM 791 O SER A 53 -1.104 17.565 4.717 1.00 0.35 O ATOM 792 CB SER A 53 1.289 15.927 6.111 1.00 0.28 C ATOM 793 OG SER A 53 2.170 15.466 5.100 1.00 0.26 O ATOM 0 H SER A 53 0.557 13.701 5.266 1.00 0.22 H new ATOM 0 HA SER A 53 -0.808 15.861 6.602 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.408 17.003 6.239 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.546 15.462 7.063 1.00 0.28 H new ATOM 0 HG SER A 53 2.316 14.503 5.208 1.00 0.26 H new ATOM 799 N GLY A 54 -0.446 15.897 3.367 1.00 0.25 N ATOM 800 CA GLY A 54 -0.853 16.601 2.173 1.00 0.28 C ATOM 801 C GLY A 54 0.329 17.082 1.361 1.00 0.26 C ATOM 802 O GLY A 54 0.165 17.846 0.407 1.00 0.30 O ATOM 0 H GLY A 54 -0.039 14.976 3.205 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.470 15.945 1.559 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.472 17.454 2.450 1.00 0.28 H new ATOM 806 N GLU A 55 1.525 16.642 1.744 1.00 0.23 N ATOM 807 CA GLU A 55 2.735 16.974 1.002 1.00 0.23 C ATOM 808 C GLU A 55 2.635 16.439 -0.418 1.00 0.20 C ATOM 809 O GLU A 55 2.872 17.159 -1.386 1.00 0.24 O ATOM 810 CB GLU A 55 3.970 16.403 1.695 1.00 0.24 C ATOM 811 CG GLU A 55 4.240 17.032 3.048 1.00 0.42 C ATOM 812 CD GLU A 55 5.521 16.532 3.681 1.00 0.46 C ATOM 813 OE1 GLU A 55 5.502 15.436 4.282 1.00 0.65 O ATOM 814 OE2 GLU A 55 6.552 17.223 3.581 1.00 0.54 O ATOM 0 H GLU A 55 1.681 16.055 2.564 1.00 0.23 H new ATOM 0 HA GLU A 55 2.834 18.059 0.969 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.844 15.328 1.820 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.839 16.549 1.053 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.294 18.115 2.936 1.00 0.42 H new ATOM 0 HG3 GLU A 55 3.404 16.822 3.715 1.00 0.42 H new ATOM 821 N VAL A 56 2.270 15.171 -0.530 1.00 0.17 N ATOM 822 CA VAL A 56 2.007 14.556 -1.822 1.00 0.15 C ATOM 823 C VAL A 56 0.724 13.754 -1.746 1.00 0.15 C ATOM 824 O VAL A 56 0.319 13.321 -0.666 1.00 0.19 O ATOM 825 CB VAL A 56 3.148 13.623 -2.288 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.420 14.407 -2.551 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.404 12.515 -1.280 1.00 0.15 C ATOM 0 H VAL A 56 2.148 14.544 0.265 1.00 0.17 H new ATOM 0 HA VAL A 56 1.925 15.365 -2.548 1.00 0.15 H new ATOM 0 HB VAL A 56 2.831 13.161 -3.223 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.206 13.726 -2.877 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.236 15.148 -3.329 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.733 14.910 -1.636 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.212 11.877 -1.638 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.685 12.952 -0.322 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.499 11.920 -1.156 1.00 0.15 H new ATOM 837 N SER A 57 0.077 13.571 -2.881 1.00 0.13 N ATOM 838 CA SER A 57 -1.118 12.759 -2.933 1.00 0.15 C ATOM 839 C SER A 57 -0.746 11.286 -2.958 1.00 0.15 C ATOM 840 O SER A 57 0.403 10.940 -3.261 1.00 0.18 O ATOM 841 CB SER A 57 -1.959 13.124 -4.158 1.00 0.22 C ATOM 842 OG SER A 57 -1.166 13.134 -5.335 1.00 0.97 O ATOM 0 H SER A 57 0.359 13.973 -3.775 1.00 0.13 H new ATOM 0 HA SER A 57 -1.714 12.952 -2.041 1.00 0.15 H new ATOM 0 HB2 SER A 57 -2.774 12.409 -4.270 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.413 14.104 -4.013 1.00 0.22 H new ATOM 0 HG SER A 57 -0.820 14.038 -5.489 1.00 0.97 H new ATOM 848 N PHE A 58 -1.697 10.422 -2.636 1.00 0.16 N ATOM 849 CA PHE A 58 -1.463 8.986 -2.663 1.00 0.16 C ATOM 850 C PHE A 58 -0.953 8.577 -4.044 1.00 0.18 C ATOM 851 O PHE A 58 -0.050 7.750 -4.175 1.00 0.19 O ATOM 852 CB PHE A 58 -2.758 8.240 -2.330 1.00 0.18 C ATOM 853 CG PHE A 58 -2.548 6.887 -1.713 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.939 5.869 -2.425 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.969 6.635 -0.417 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.754 4.625 -1.857 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.785 5.393 0.156 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.177 4.388 -0.565 1.00 0.22 C ATOM 0 H PHE A 58 -2.639 10.691 -2.353 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.712 8.727 -1.917 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.350 8.850 -1.648 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.342 8.124 -3.243 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.605 6.050 -3.436 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.447 7.420 0.151 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.279 3.838 -2.423 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -3.117 5.209 1.167 1.00 0.21 H new ATOM 0 HZ PHE A 58 -2.032 3.415 -0.119 1.00 0.22 H new ATOM 868 N GLU A 59 -1.520 9.216 -5.061 1.00 0.20 N ATOM 869 CA GLU A 59 -1.180 8.954 -6.454 1.00 0.22 C ATOM 870 C GLU A 59 0.303 9.203 -6.734 1.00 0.24 C ATOM 871 O GLU A 59 0.950 8.408 -7.419 1.00 0.31 O ATOM 872 CB GLU A 59 -2.034 9.840 -7.355 1.00 0.27 C ATOM 873 CG GLU A 59 -3.527 9.635 -7.162 1.00 0.36 C ATOM 874 CD GLU A 59 -4.351 10.752 -7.761 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.567 10.749 -8.990 1.00 0.96 O ATOM 876 OE2 GLU A 59 -4.793 11.640 -7.002 1.00 1.72 O ATOM 0 H GLU A 59 -2.233 9.935 -4.941 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.381 7.903 -6.661 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -1.790 10.885 -7.162 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.779 9.641 -8.396 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.821 8.688 -7.615 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.745 9.559 -6.097 1.00 0.36 H new ATOM 883 N GLU A 60 0.840 10.303 -6.206 1.00 0.23 N ATOM 884 CA GLU A 60 2.242 10.654 -6.436 1.00 0.24 C ATOM 885 C GLU A 60 3.165 9.619 -5.823 1.00 0.23 C ATOM 886 O GLU A 60 4.164 9.225 -6.424 1.00 0.26 O ATOM 887 CB GLU A 60 2.569 12.031 -5.861 1.00 0.25 C ATOM 888 CG GLU A 60 1.790 13.158 -6.507 1.00 0.29 C ATOM 889 CD GLU A 60 2.005 13.221 -8.003 1.00 1.18 C ATOM 890 OE1 GLU A 60 1.251 12.555 -8.744 1.00 2.09 O ATOM 891 OE2 GLU A 60 2.926 13.940 -8.444 1.00 1.24 O ATOM 0 H GLU A 60 0.329 10.963 -5.620 1.00 0.23 H new ATOM 0 HA GLU A 60 2.397 10.678 -7.515 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.365 12.026 -4.790 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.635 12.222 -5.981 1.00 0.25 H new ATOM 0 HG2 GLU A 60 0.728 13.028 -6.300 1.00 0.29 H new ATOM 0 HG3 GLU A 60 2.088 14.106 -6.059 1.00 0.29 H new ATOM 898 N ALA A 61 2.826 9.182 -4.626 1.00 0.22 N ATOM 899 CA ALA A 61 3.619 8.188 -3.937 1.00 0.23 C ATOM 900 C ALA A 61 3.489 6.836 -4.622 1.00 0.22 C ATOM 901 O ALA A 61 4.480 6.256 -5.052 1.00 0.26 O ATOM 902 CB ALA A 61 3.200 8.094 -2.480 1.00 0.24 C ATOM 0 H ALA A 61 2.005 9.501 -4.111 1.00 0.22 H new ATOM 0 HA ALA A 61 4.665 8.491 -3.974 1.00 0.23 H new ATOM 0 HB1 ALA A 61 3.806 7.342 -1.975 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.344 9.060 -1.997 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.149 7.812 -2.421 1.00 0.24 H new ATOM 908 N ALA A 62 2.258 6.369 -4.763 1.00 0.20 N ATOM 909 CA ALA A 62 1.983 5.035 -5.283 1.00 0.20 C ATOM 910 C ALA A 62 2.636 4.791 -6.643 1.00 0.21 C ATOM 911 O ALA A 62 3.369 3.821 -6.811 1.00 0.24 O ATOM 912 CB ALA A 62 0.485 4.821 -5.373 1.00 0.20 C ATOM 0 H ALA A 62 1.422 6.901 -4.521 1.00 0.20 H new ATOM 0 HA ALA A 62 2.419 4.316 -4.589 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.283 3.823 -5.762 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.043 4.920 -4.382 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.051 5.565 -6.040 1.00 0.20 H new ATOM 918 N SER A 63 2.388 5.684 -7.595 1.00 0.21 N ATOM 919 CA SER A 63 2.873 5.522 -8.967 1.00 0.23 C ATOM 920 C SER A 63 4.377 5.247 -9.033 1.00 0.24 C ATOM 921 O SER A 63 4.853 4.596 -9.962 1.00 0.27 O ATOM 922 CB SER A 63 2.534 6.767 -9.791 1.00 0.26 C ATOM 923 OG SER A 63 2.816 6.567 -11.166 1.00 1.00 O ATOM 0 H SER A 63 1.849 6.536 -7.442 1.00 0.21 H new ATOM 0 HA SER A 63 2.369 4.650 -9.384 1.00 0.23 H new ATOM 0 HB2 SER A 63 1.479 7.013 -9.666 1.00 0.26 H new ATOM 0 HB3 SER A 63 3.106 7.618 -9.420 1.00 0.26 H new ATOM 0 HG SER A 63 2.424 5.718 -11.460 1.00 1.00 H new ATOM 929 N GLN A 64 5.121 5.727 -8.052 1.00 0.24 N ATOM 930 CA GLN A 64 6.564 5.557 -8.050 1.00 0.27 C ATOM 931 C GLN A 64 6.983 4.502 -7.044 1.00 0.26 C ATOM 932 O GLN A 64 7.828 3.654 -7.318 1.00 0.29 O ATOM 933 CB GLN A 64 7.231 6.878 -7.696 1.00 0.31 C ATOM 934 CG GLN A 64 6.705 8.039 -8.508 1.00 0.35 C ATOM 935 CD GLN A 64 7.322 9.363 -8.111 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.373 9.752 -8.620 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.660 10.069 -7.211 1.00 0.35 N ATOM 0 H GLN A 64 4.752 6.236 -7.249 1.00 0.24 H new ATOM 0 HA GLN A 64 6.874 5.235 -9.044 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.079 7.084 -6.636 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.306 6.790 -7.852 1.00 0.31 H new ATOM 0 HG2 GLN A 64 6.900 7.855 -9.564 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.623 8.098 -8.390 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.792 9.706 -6.816 1.00 0.35 H new ATOM 0 HE22 GLN A 64 7.017 10.976 -6.911 1.00 0.35 H new ATOM 946 N ARG A 65 6.385 4.582 -5.874 1.00 0.26 N ATOM 947 CA ARG A 65 6.790 3.764 -4.741 1.00 0.28 C ATOM 948 C ARG A 65 6.167 2.370 -4.755 1.00 0.27 C ATOM 949 O ARG A 65 6.860 1.384 -4.501 1.00 0.32 O ATOM 950 CB ARG A 65 6.437 4.478 -3.437 1.00 0.33 C ATOM 951 CG ARG A 65 6.940 5.916 -3.377 1.00 0.37 C ATOM 952 CD ARG A 65 8.403 6.013 -3.771 1.00 0.43 C ATOM 953 NE ARG A 65 8.880 7.391 -3.830 1.00 0.58 N ATOM 954 CZ ARG A 65 9.565 7.903 -4.852 1.00 0.66 C ATOM 955 NH1 ARG A 65 9.906 7.141 -5.882 1.00 0.59 N ATOM 956 NH2 ARG A 65 9.921 9.179 -4.840 1.00 0.86 N ATOM 0 H ARG A 65 5.607 5.212 -5.678 1.00 0.26 H new ATOM 0 HA ARG A 65 7.869 3.627 -4.818 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.354 4.474 -3.311 1.00 0.33 H new ATOM 0 HB3 ARG A 65 6.857 3.919 -2.601 1.00 0.33 H new ATOM 0 HG2 ARG A 65 6.342 6.539 -4.041 1.00 0.37 H new ATOM 0 HG3 ARG A 65 6.808 6.307 -2.368 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.006 5.455 -3.055 1.00 0.43 H new ATOM 0 HD3 ARG A 65 8.545 5.542 -4.743 1.00 0.43 H new ATOM 0 HE ARG A 65 8.676 8.001 -3.038 1.00 0.58 H new ATOM 0 HH11 ARG A 65 9.644 6.155 -5.896 1.00 0.59 H new ATOM 0 HH12 ARG A 65 10.430 7.540 -6.660 1.00 0.59 H new ATOM 0 HH21 ARG A 65 9.671 9.771 -4.048 1.00 0.86 H new ATOM 0 HH22 ARG A 65 10.445 9.570 -5.623 1.00 0.86 H new ATOM 970 N SER A 66 4.872 2.282 -5.044 1.00 0.25 N ATOM 971 CA SER A 66 4.166 1.004 -4.947 1.00 0.25 C ATOM 972 C SER A 66 4.693 -0.003 -5.966 1.00 0.23 C ATOM 973 O SER A 66 4.662 0.237 -7.171 1.00 0.24 O ATOM 974 CB SER A 66 2.643 1.177 -5.104 1.00 0.24 C ATOM 975 OG SER A 66 2.270 1.520 -6.426 1.00 0.82 O ATOM 0 H SER A 66 4.295 3.068 -5.344 1.00 0.25 H new ATOM 0 HA SER A 66 4.358 0.614 -3.947 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.144 0.251 -4.818 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.296 1.951 -4.420 1.00 0.24 H new ATOM 0 HG SER A 66 2.910 2.168 -6.789 1.00 0.82 H new ATOM 981 N ASP A 67 5.197 -1.122 -5.456 1.00 0.25 N ATOM 982 CA ASP A 67 5.686 -2.212 -6.294 1.00 0.28 C ATOM 983 C ASP A 67 4.530 -2.925 -6.988 1.00 0.31 C ATOM 984 O ASP A 67 4.718 -3.639 -7.973 1.00 0.48 O ATOM 985 CB ASP A 67 6.498 -3.199 -5.452 1.00 0.39 C ATOM 986 CG ASP A 67 6.876 -4.450 -6.218 1.00 1.59 C ATOM 987 OD1 ASP A 67 7.620 -4.339 -7.216 1.00 1.91 O ATOM 988 OD2 ASP A 67 6.446 -5.548 -5.821 1.00 2.28 O ATOM 0 H ASP A 67 5.278 -1.299 -4.455 1.00 0.25 H new ATOM 0 HA ASP A 67 6.333 -1.792 -7.064 1.00 0.28 H new ATOM 0 HB2 ASP A 67 7.404 -2.708 -5.097 1.00 0.39 H new ATOM 0 HB3 ASP A 67 5.921 -3.478 -4.570 1.00 0.39 H new ATOM 993 N CYS A 68 3.330 -2.709 -6.486 1.00 0.24 N ATOM 994 CA CYS A 68 2.151 -3.309 -7.073 1.00 0.26 C ATOM 995 C CYS A 68 1.749 -2.545 -8.324 1.00 0.27 C ATOM 996 O CYS A 68 2.041 -1.357 -8.469 1.00 0.38 O ATOM 997 CB CYS A 68 1.001 -3.317 -6.068 1.00 0.29 C ATOM 998 SG CYS A 68 -0.530 -4.063 -6.674 1.00 1.52 S ATOM 0 H CYS A 68 3.147 -2.122 -5.672 1.00 0.24 H new ATOM 0 HA CYS A 68 2.380 -4.339 -7.345 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.321 -3.853 -5.175 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.794 -2.290 -5.766 1.00 0.29 H new ATOM 0 HG CYS A 68 -1.038 -4.823 -5.750 1.00 1.52 H new ATOM 1004 N GLY A 69 1.058 -3.252 -9.205 1.00 0.26 N ATOM 1005 CA GLY A 69 0.696 -2.735 -10.517 1.00 0.25 C ATOM 1006 C GLY A 69 -0.139 -1.471 -10.465 1.00 0.22 C ATOM 1007 O GLY A 69 -0.317 -0.799 -11.485 1.00 0.25 O ATOM 0 H GLY A 69 0.732 -4.202 -9.031 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.606 -2.536 -11.083 1.00 0.25 H new ATOM 0 HA3 GLY A 69 0.144 -3.502 -11.060 1.00 0.25 H new ATOM 1011 N SER A 70 -0.643 -1.142 -9.284 1.00 0.21 N ATOM 1012 CA SER A 70 -1.404 0.076 -9.084 1.00 0.24 C ATOM 1013 C SER A 70 -0.544 1.327 -9.305 1.00 0.22 C ATOM 1014 O SER A 70 -1.068 2.437 -9.330 1.00 0.25 O ATOM 1015 CB SER A 70 -2.002 0.078 -7.677 1.00 0.31 C ATOM 1016 OG SER A 70 -0.996 -0.109 -6.692 1.00 0.32 O ATOM 0 H SER A 70 -0.535 -1.710 -8.444 1.00 0.21 H new ATOM 0 HA SER A 70 -2.206 0.103 -9.822 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.518 1.022 -7.499 1.00 0.31 H new ATOM 0 HB3 SER A 70 -2.747 -0.713 -7.594 1.00 0.31 H new ATOM 0 HG SER A 70 -1.405 -0.102 -5.801 1.00 0.32 H new ATOM 1022 N TYR A 71 0.772 1.150 -9.475 1.00 0.20 N ATOM 1023 CA TYR A 71 1.667 2.274 -9.765 1.00 0.20 C ATOM 1024 C TYR A 71 1.222 3.003 -11.037 1.00 0.22 C ATOM 1025 O TYR A 71 1.489 4.187 -11.211 1.00 0.29 O ATOM 1026 CB TYR A 71 3.132 1.808 -9.915 1.00 0.21 C ATOM 1027 CG TYR A 71 3.396 0.915 -11.112 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.755 1.452 -12.343 1.00 0.35 C ATOM 1029 CD2 TYR A 71 3.298 -0.465 -11.008 1.00 0.27 C ATOM 1030 CE1 TYR A 71 4.000 0.640 -13.433 1.00 0.44 C ATOM 1031 CE2 TYR A 71 3.543 -1.284 -12.092 1.00 0.36 C ATOM 1032 CZ TYR A 71 3.892 -0.727 -13.302 1.00 0.43 C ATOM 1033 OH TYR A 71 4.138 -1.542 -14.382 1.00 0.54 O ATOM 0 H TYR A 71 1.237 0.244 -9.417 1.00 0.20 H new ATOM 0 HA TYR A 71 1.612 2.960 -8.920 1.00 0.20 H new ATOM 0 HB2 TYR A 71 3.773 2.687 -9.987 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.423 1.275 -9.010 1.00 0.21 H new ATOM 0 HD1 TYR A 71 3.844 2.523 -12.449 1.00 0.35 H new ATOM 0 HD2 TYR A 71 3.025 -0.907 -10.061 1.00 0.27 H new ATOM 0 HE1 TYR A 71 4.275 1.074 -14.383 1.00 0.44 H new ATOM 0 HE2 TYR A 71 3.461 -2.356 -11.992 1.00 0.36 H new ATOM 0 HH TYR A 71 4.019 -2.478 -14.119 1.00 0.54 H new ATOM 1043 N ALA A 72 0.527 2.293 -11.919 1.00 0.24 N ATOM 1044 CA ALA A 72 0.064 2.879 -13.169 1.00 0.30 C ATOM 1045 C ALA A 72 -1.359 3.409 -13.031 1.00 0.36 C ATOM 1046 O ALA A 72 -1.962 3.865 -13.999 1.00 0.49 O ATOM 1047 CB ALA A 72 0.142 1.855 -14.289 1.00 0.38 C ATOM 0 H ALA A 72 0.273 1.313 -11.791 1.00 0.24 H new ATOM 0 HA ALA A 72 0.714 3.719 -13.413 1.00 0.30 H new ATOM 0 HB1 ALA A 72 -0.207 2.305 -15.218 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.174 1.526 -14.410 1.00 0.38 H new ATOM 0 HB3 ALA A 72 -0.485 0.998 -14.043 1.00 0.38 H new ATOM 1053 N SER A 73 -1.900 3.320 -11.824 1.00 0.32 N ATOM 1054 CA SER A 73 -3.247 3.801 -11.550 1.00 0.44 C ATOM 1055 C SER A 73 -3.247 4.768 -10.366 1.00 0.49 C ATOM 1056 O SER A 73 -4.296 5.077 -9.799 1.00 0.71 O ATOM 1057 CB SER A 73 -4.165 2.615 -11.263 1.00 0.47 C ATOM 1058 OG SER A 73 -4.003 1.608 -12.249 1.00 0.62 O ATOM 0 H SER A 73 -1.425 2.918 -11.016 1.00 0.32 H new ATOM 0 HA SER A 73 -3.613 4.337 -12.425 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.942 2.206 -10.278 1.00 0.47 H new ATOM 0 HB3 SER A 73 -5.203 2.948 -11.243 1.00 0.47 H new ATOM 0 HG SER A 73 -4.597 0.855 -12.048 1.00 0.62 H new ATOM 1064 N GLY A 74 -2.059 5.234 -9.993 1.00 0.41 N ATOM 1065 CA GLY A 74 -1.928 6.127 -8.856 1.00 0.54 C ATOM 1066 C GLY A 74 -2.241 5.441 -7.538 1.00 0.45 C ATOM 1067 O GLY A 74 -2.627 6.092 -6.568 1.00 0.49 O ATOM 0 H GLY A 74 -1.181 5.008 -10.460 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -0.913 6.522 -8.824 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -2.597 6.977 -8.987 1.00 0.54 H new ATOM 1071 N GLY A 75 -2.083 4.123 -7.506 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.361 3.362 -6.301 1.00 0.32 C ATOM 1073 C GLY A 75 -3.815 2.957 -6.203 1.00 0.20 C ATOM 1074 O GLY A 75 -4.171 2.045 -5.453 1.00 0.21 O ATOM 0 H GLY A 75 -1.765 3.564 -8.298 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.735 2.470 -6.285 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -2.092 3.956 -5.428 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.647 3.623 -6.984 1.00 0.35 N ATOM 1079 CA ASP A 76 -6.087 3.413 -6.947 1.00 0.39 C ATOM 1080 C ASP A 76 -6.453 2.109 -7.614 1.00 0.32 C ATOM 1081 O ASP A 76 -5.925 1.775 -8.676 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.802 4.542 -7.669 1.00 0.63 C ATOM 1083 CG ASP A 76 -8.309 4.513 -7.502 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -8.816 5.102 -6.528 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.998 3.946 -8.373 1.00 0.80 O ATOM 0 H ASP A 76 -4.346 4.324 -7.661 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.393 3.387 -5.901 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -6.423 5.495 -7.301 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.562 4.492 -8.731 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.350 1.372 -6.997 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.884 0.179 -7.609 1.00 0.30 C ATOM 1092 C LEU A 77 -9.353 0.367 -7.917 1.00 0.32 C ATOM 1093 O LEU A 77 -10.020 1.215 -7.326 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.667 -1.040 -6.719 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.534 -1.983 -7.147 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.259 -1.212 -7.474 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.267 -3.007 -6.053 1.00 0.94 C ATOM 0 H LEU A 77 -7.724 1.579 -6.071 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.351 0.003 -8.543 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.464 -0.695 -5.705 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.595 -1.610 -6.682 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.850 -2.500 -8.053 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.478 -1.911 -7.773 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.454 -0.515 -8.289 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.933 -0.658 -6.594 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.462 -3.672 -6.366 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.978 -2.493 -5.136 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -7.170 -3.591 -5.873 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.833 -0.419 -8.847 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.197 -0.291 -9.318 1.00 0.39 C ATOM 1111 C GLY A 78 -12.223 -0.856 -8.358 1.00 0.34 C ATOM 1112 O GLY A 78 -12.512 -0.265 -7.320 1.00 0.44 O ATOM 0 H GLY A 78 -9.298 -1.161 -9.299 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.416 0.763 -9.492 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.291 -0.799 -10.278 1.00 0.39 H new ATOM 1116 N PHE A 79 -12.790 -1.992 -8.716 1.00 0.47 N ATOM 1117 CA PHE A 79 -13.820 -2.620 -7.904 1.00 0.46 C ATOM 1118 C PHE A 79 -13.395 -4.016 -7.478 1.00 0.45 C ATOM 1119 O PHE A 79 -12.649 -4.692 -8.190 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.146 -2.669 -8.670 1.00 0.61 C ATOM 1121 CG PHE A 79 -14.998 -3.054 -10.118 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -14.903 -4.387 -10.484 1.00 2.78 C ATOM 1123 CD2 PHE A 79 -14.959 -2.087 -11.107 1.00 1.73 C ATOM 1124 CE1 PHE A 79 -14.770 -4.747 -11.810 1.00 3.87 C ATOM 1125 CE2 PHE A 79 -14.827 -2.442 -12.435 1.00 2.78 C ATOM 1126 CZ PHE A 79 -14.720 -3.753 -12.790 1.00 3.85 C ATOM 0 H PHE A 79 -12.555 -2.502 -9.567 1.00 0.47 H new ATOM 0 HA PHE A 79 -13.962 -2.021 -7.005 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.811 -3.381 -8.181 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -15.625 -1.692 -8.611 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -14.933 -5.153 -9.723 1.00 2.78 H new ATOM 0 HD2 PHE A 79 -15.033 -1.044 -10.838 1.00 1.73 H new ATOM 0 HE1 PHE A 79 -14.705 -5.789 -12.087 1.00 3.87 H new ATOM 0 HE2 PHE A 79 -14.808 -1.676 -13.196 1.00 2.78 H new ATOM 0 HZ PHE A 79 -14.597 -4.023 -13.828 1.00 3.85 H new ATOM 1136 N PHE A 80 -13.856 -4.434 -6.309 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.536 -5.745 -5.771 1.00 0.45 C ATOM 1138 C PHE A 80 -14.463 -6.058 -4.612 1.00 0.46 C ATOM 1139 O PHE A 80 -15.094 -5.159 -4.065 1.00 0.55 O ATOM 1140 CB PHE A 80 -12.071 -5.809 -5.315 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.566 -4.551 -4.657 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.915 -4.262 -3.349 1.00 0.89 C ATOM 1143 CD2 PHE A 80 -10.758 -3.653 -5.340 1.00 1.01 C ATOM 1144 CE1 PHE A 80 -11.472 -3.109 -2.739 1.00 1.19 C ATOM 1145 CE2 PHE A 80 -10.317 -2.493 -4.722 1.00 1.28 C ATOM 1146 CZ PHE A 80 -10.597 -2.243 -3.462 1.00 1.31 C ATOM 0 H PHE A 80 -14.461 -3.874 -5.708 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.675 -6.488 -6.556 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -11.956 -6.639 -4.618 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.444 -6.029 -6.179 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.542 -4.949 -2.800 1.00 0.89 H new ATOM 0 HD2 PHE A 80 -10.471 -3.859 -6.360 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -11.781 -2.865 -1.733 1.00 1.19 H new ATOM 0 HE2 PHE A 80 -9.732 -1.781 -5.286 1.00 1.28 H new ATOM 0 HZ PHE A 80 -10.165 -1.382 -2.974 1.00 1.31 H new ATOM 1156 N SER A 81 -14.572 -7.321 -4.258 1.00 0.50 N ATOM 1157 CA SER A 81 -15.368 -7.709 -3.118 1.00 0.55 C ATOM 1158 C SER A 81 -14.449 -8.068 -1.963 1.00 0.52 C ATOM 1159 O SER A 81 -13.546 -8.890 -2.118 1.00 0.54 O ATOM 1160 CB SER A 81 -16.295 -8.877 -3.476 1.00 0.69 C ATOM 1161 OG SER A 81 -15.574 -10.006 -3.944 1.00 1.17 O ATOM 0 H SER A 81 -14.119 -8.095 -4.744 1.00 0.50 H new ATOM 0 HA SER A 81 -16.000 -6.874 -2.817 1.00 0.55 H new ATOM 0 HB2 SER A 81 -16.879 -9.158 -2.599 1.00 0.69 H new ATOM 0 HB3 SER A 81 -17.003 -8.557 -4.241 1.00 0.69 H new ATOM 0 HG SER A 81 -15.044 -9.753 -4.728 1.00 1.17 H new ATOM 1167 N SER A 82 -14.670 -7.418 -0.824 1.00 0.59 N ATOM 1168 CA SER A 82 -13.850 -7.616 0.367 1.00 0.63 C ATOM 1169 C SER A 82 -13.582 -9.098 0.626 1.00 0.59 C ATOM 1170 O SER A 82 -14.514 -9.897 0.756 1.00 0.63 O ATOM 1171 CB SER A 82 -14.549 -6.983 1.568 1.00 0.77 C ATOM 1172 OG SER A 82 -15.920 -7.349 1.594 1.00 1.19 O ATOM 0 H SER A 82 -15.422 -6.740 -0.701 1.00 0.59 H new ATOM 0 HA SER A 82 -12.884 -7.136 0.207 1.00 0.63 H new ATOM 0 HB2 SER A 82 -14.063 -7.304 2.490 1.00 0.77 H new ATOM 0 HB3 SER A 82 -14.457 -5.898 1.520 1.00 0.77 H new ATOM 0 HG SER A 82 -16.011 -8.295 1.355 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.309 -9.454 0.671 1.00 0.58 N ATOM 1179 CA GLY A 83 -11.917 -10.833 0.861 1.00 0.62 C ATOM 1180 C GLY A 83 -11.210 -11.386 -0.358 1.00 0.64 C ATOM 1181 O GLY A 83 -10.976 -12.590 -0.460 1.00 0.79 O ATOM 0 H GLY A 83 -11.530 -8.802 0.578 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.261 -10.909 1.728 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -12.799 -11.436 1.075 1.00 0.62 H new ATOM 1185 N GLU A 84 -10.870 -10.503 -1.291 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.179 -10.908 -2.506 1.00 0.62 C ATOM 1187 C GLU A 84 -8.733 -10.432 -2.510 1.00 0.58 C ATOM 1188 O GLU A 84 -7.968 -10.774 -3.413 1.00 0.87 O ATOM 1189 CB GLU A 84 -10.890 -10.371 -3.749 1.00 0.73 C ATOM 1190 CG GLU A 84 -12.205 -11.062 -4.053 1.00 1.17 C ATOM 1191 CD GLU A 84 -12.815 -10.601 -5.361 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -13.470 -9.539 -5.381 1.00 1.43 O ATOM 1193 OE2 GLU A 84 -12.647 -11.303 -6.380 1.00 1.55 O ATOM 0 H GLU A 84 -11.062 -9.503 -1.228 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.191 -11.998 -2.529 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -11.073 -9.305 -3.618 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -10.228 -10.477 -4.608 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -12.045 -12.140 -4.090 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -12.907 -10.872 -3.242 1.00 1.17 H new ATOM 1200 N MET A 85 -8.349 -9.652 -1.511 1.00 0.47 N ATOM 1201 CA MET A 85 -7.010 -9.084 -1.492 1.00 0.44 C ATOM 1202 C MET A 85 -6.063 -9.944 -0.672 1.00 0.47 C ATOM 1203 O MET A 85 -5.636 -11.017 -1.104 1.00 0.73 O ATOM 1204 CB MET A 85 -7.031 -7.658 -0.939 1.00 0.39 C ATOM 1205 CG MET A 85 -7.767 -6.669 -1.820 1.00 0.37 C ATOM 1206 SD MET A 85 -6.981 -6.467 -3.430 1.00 0.39 S ATOM 1207 CE MET A 85 -8.191 -5.445 -4.257 1.00 0.39 C ATOM 0 H MET A 85 -8.935 -9.401 -0.715 1.00 0.47 H new ATOM 0 HA MET A 85 -6.650 -9.056 -2.520 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.496 -7.668 0.047 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.005 -7.316 -0.804 1.00 0.39 H new ATOM 0 HG2 MET A 85 -8.794 -7.005 -1.960 1.00 0.37 H new ATOM 0 HG3 MET A 85 -7.813 -5.703 -1.317 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.099 -5.572 -5.336 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.192 -5.739 -3.941 1.00 0.39 H new ATOM 0 HE3 MET A 85 -8.021 -4.400 -3.999 1.00 0.39 H new ATOM 1217 N MET A 86 -5.750 -9.463 0.515 1.00 0.33 N ATOM 1218 CA MET A 86 -4.898 -10.170 1.450 1.00 0.35 C ATOM 1219 C MET A 86 -5.509 -10.017 2.821 1.00 0.40 C ATOM 1220 O MET A 86 -6.138 -8.996 3.081 1.00 0.76 O ATOM 1221 CB MET A 86 -3.483 -9.585 1.453 1.00 0.33 C ATOM 1222 CG MET A 86 -2.848 -9.503 0.075 1.00 0.43 C ATOM 1223 SD MET A 86 -1.335 -8.525 0.061 1.00 1.16 S ATOM 1224 CE MET A 86 -0.944 -8.553 -1.687 1.00 1.39 C ATOM 0 H MET A 86 -6.083 -8.563 0.860 1.00 0.33 H new ATOM 0 HA MET A 86 -4.824 -11.219 1.163 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.514 -8.586 1.888 1.00 0.33 H new ATOM 0 HB3 MET A 86 -2.850 -10.194 2.098 1.00 0.33 H new ATOM 0 HG2 MET A 86 -2.628 -10.510 -0.279 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.563 -9.069 -0.624 1.00 0.43 H new ATOM 0 HE1 MET A 86 -0.029 -7.988 -1.864 1.00 1.39 H new ATOM 0 HE2 MET A 86 -0.803 -9.584 -2.012 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.762 -8.104 -2.250 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.340 -11.000 3.686 1.00 0.32 N ATOM 1235 CA LYS A 87 -5.983 -10.967 4.997 1.00 0.32 C ATOM 1236 C LYS A 87 -5.728 -9.644 5.745 1.00 0.27 C ATOM 1237 O LYS A 87 -6.684 -8.972 6.129 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.549 -12.162 5.850 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.146 -12.162 7.248 1.00 0.97 C ATOM 1240 CD LYS A 87 -5.673 -13.361 8.051 1.00 1.46 C ATOM 1241 CE LYS A 87 -6.198 -13.323 9.477 1.00 2.00 C ATOM 1242 NZ LYS A 87 -7.681 -13.389 9.534 1.00 2.37 N ATOM 0 H LYS A 87 -4.769 -11.827 3.512 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.057 -11.034 4.822 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -5.835 -13.083 5.342 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.462 -12.166 5.928 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -5.868 -11.243 7.764 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -7.234 -12.173 7.181 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -6.005 -14.279 7.565 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -4.583 -13.383 8.065 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -5.778 -14.157 10.039 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -5.858 -12.408 9.963 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -7.987 -13.480 10.524 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -8.083 -12.521 9.126 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -8.013 -14.213 8.992 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.454 -9.221 5.939 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.155 -7.997 6.690 1.00 0.25 C ATOM 1258 C PRO A 88 -4.446 -6.740 5.874 1.00 0.22 C ATOM 1259 O PRO A 88 -4.795 -5.692 6.420 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.661 -8.125 6.977 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.128 -8.905 5.830 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.218 -9.869 5.441 1.00 0.27 C ATOM 0 HA PRO A 88 -4.766 -7.898 7.587 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.185 -7.147 7.047 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.481 -8.636 7.923 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -1.872 -8.249 4.998 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.218 -9.437 6.109 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.252 -10.021 4.362 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.068 -10.848 5.896 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.310 -6.862 4.562 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.583 -5.763 3.645 1.00 0.17 C ATOM 1272 C PHE A 89 -6.070 -5.432 3.679 1.00 0.18 C ATOM 1273 O PHE A 89 -6.460 -4.309 3.986 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.156 -6.188 2.230 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.404 -5.189 1.125 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.684 -4.962 0.642 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.348 -4.511 0.539 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -5.906 -4.075 -0.394 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.564 -3.629 -0.504 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.847 -3.411 -0.970 1.00 0.19 C ATOM 0 H PHE A 89 -4.009 -7.722 4.103 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.025 -4.874 3.938 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.091 -6.418 2.249 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -4.677 -7.112 1.979 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.520 -5.486 1.082 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.343 -4.673 0.901 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.910 -3.903 -0.752 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.730 -3.111 -0.954 1.00 0.20 H new ATOM 0 HZ PHE A 89 -5.018 -2.722 -1.784 1.00 0.19 H new ATOM 1290 N GLU A 90 -6.881 -6.447 3.402 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.332 -6.323 3.381 1.00 0.24 C ATOM 1292 C GLU A 90 -8.834 -5.915 4.756 1.00 0.25 C ATOM 1293 O GLU A 90 -9.792 -5.150 4.885 1.00 0.27 O ATOM 1294 CB GLU A 90 -8.953 -7.662 2.988 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.334 -7.547 2.379 1.00 0.34 C ATOM 1296 CD GLU A 90 -10.296 -7.004 0.969 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -10.286 -5.760 0.821 1.00 1.78 O ATOM 1298 OE2 GLU A 90 -10.271 -7.806 0.019 1.00 2.12 O ATOM 0 H GLU A 90 -6.546 -7.386 3.184 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.617 -5.562 2.654 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.294 -8.161 2.277 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.009 -8.298 3.872 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.810 -8.528 2.376 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -10.949 -6.896 3.000 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.168 -6.441 5.780 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.487 -6.111 7.161 1.00 0.29 C ATOM 1307 C ASP A 91 -8.457 -4.610 7.376 1.00 0.25 C ATOM 1308 O ASP A 91 -9.353 -4.048 8.002 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.515 -6.791 8.123 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.760 -6.393 9.563 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.739 -6.884 10.165 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -6.972 -5.588 10.101 1.00 0.54 O ATOM 0 H ASP A 91 -7.399 -7.102 5.675 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.494 -6.476 7.365 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.608 -7.873 8.026 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.493 -6.533 7.846 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.440 -3.965 6.827 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.300 -2.527 6.952 1.00 0.19 C ATOM 1319 C ALA A 92 -8.345 -1.808 6.111 1.00 0.18 C ATOM 1320 O ALA A 92 -8.854 -0.767 6.509 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.904 -2.093 6.544 1.00 0.22 C ATOM 0 H ALA A 92 -6.700 -4.417 6.290 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.457 -2.259 7.997 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.816 -1.011 6.644 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.170 -2.578 7.187 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.723 -2.378 5.508 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.685 -2.391 4.964 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.611 -1.767 4.024 1.00 0.19 C ATOM 1329 C VAL A 93 -10.981 -1.548 4.661 1.00 0.19 C ATOM 1330 O VAL A 93 -11.537 -0.453 4.595 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.788 -2.596 2.733 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.635 -1.829 1.730 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.440 -2.966 2.125 1.00 0.21 C ATOM 0 H VAL A 93 -8.331 -3.299 4.663 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.169 -0.806 3.760 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.301 -3.523 2.991 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.753 -2.423 0.824 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.615 -1.626 2.161 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -10.145 -0.887 1.485 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.598 -3.549 1.218 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.889 -2.058 1.881 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.868 -3.556 2.841 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.529 -2.584 5.285 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.830 -2.456 5.930 1.00 0.27 C ATOM 1345 C ARG A 94 -12.701 -1.696 7.244 1.00 0.25 C ATOM 1346 O ARG A 94 -13.688 -1.198 7.782 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.464 -3.827 6.190 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.786 -4.617 7.299 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.124 -5.871 6.765 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.392 -6.590 7.807 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.161 -7.908 7.782 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -11.682 -8.662 6.818 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -10.406 -8.469 8.721 1.00 1.70 N ATOM 0 H ARG A 94 -11.102 -3.507 5.358 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.478 -1.900 5.252 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.515 -3.688 6.446 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.434 -4.411 5.270 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -12.040 -3.991 7.789 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -13.522 -4.887 8.056 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -12.882 -6.527 6.336 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -11.440 -5.605 5.959 1.00 1.03 H new ATOM 0 HE ARG A 94 -11.037 -6.055 8.600 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -12.260 -8.236 6.094 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -11.503 -9.666 6.803 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -10.002 -7.895 9.461 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -10.230 -9.474 8.701 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.476 -1.594 7.740 1.00 0.23 N ATOM 1368 CA ALA A 95 -11.222 -0.970 9.027 1.00 0.25 C ATOM 1369 C ALA A 95 -11.254 0.550 8.925 1.00 0.26 C ATOM 1370 O ALA A 95 -11.313 1.249 9.938 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.893 -1.446 9.586 1.00 0.26 C ATOM 0 H ALA A 95 -10.640 -1.938 7.267 1.00 0.23 H new ATOM 0 HA ALA A 95 -12.017 -1.268 9.711 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.713 -0.972 10.551 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -9.918 -2.528 9.713 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -9.092 -1.180 8.896 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.221 1.061 7.705 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.289 2.498 7.485 1.00 0.19 C ATOM 1379 C LEU A 96 -12.453 2.859 6.576 1.00 0.21 C ATOM 1380 O LEU A 96 -12.983 2.014 5.852 1.00 0.28 O ATOM 1381 CB LEU A 96 -9.972 3.038 6.914 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.172 2.084 6.036 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.676 2.123 4.612 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.699 2.427 6.083 1.00 0.28 C ATOM 0 H LEU A 96 -11.148 0.505 6.853 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.454 2.969 8.454 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.193 3.933 6.332 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.340 3.347 7.747 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.304 1.073 6.421 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.092 1.435 4.000 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -10.725 1.828 4.589 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.575 3.134 4.218 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.144 1.735 5.450 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.551 3.446 5.724 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.340 2.348 7.109 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.858 4.115 6.648 1.00 0.24 N ATOM 1397 CA LYS A 97 -13.937 4.627 5.830 1.00 0.31 C ATOM 1398 C LYS A 97 -13.353 5.439 4.672 1.00 0.28 C ATOM 1399 O LYS A 97 -12.136 5.589 4.573 1.00 0.25 O ATOM 1400 CB LYS A 97 -14.889 5.474 6.698 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.141 5.983 5.989 1.00 0.62 C ATOM 1402 CD LYS A 97 -16.993 4.845 5.453 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.207 5.361 4.691 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.071 4.247 4.222 1.00 1.61 N ATOM 0 H LYS A 97 -12.447 4.806 7.276 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.514 3.804 5.409 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.196 4.879 7.558 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.336 6.331 7.084 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.731 6.583 6.682 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -15.851 6.638 5.167 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.391 4.218 4.796 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.323 4.216 6.280 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -18.785 6.025 5.333 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -17.877 5.951 3.836 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -19.888 4.634 3.707 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -18.525 3.627 3.590 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -19.405 3.699 5.040 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.217 5.919 3.796 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.831 6.732 2.652 1.00 0.32 C ATOM 1420 C ILE A 98 -12.864 7.848 3.063 1.00 0.32 C ATOM 1421 O ILE A 98 -13.184 8.687 3.909 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.090 7.358 1.987 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -15.906 6.323 1.187 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.700 8.510 1.070 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -16.097 4.978 1.849 1.00 0.90 C ATOM 0 H ILE A 98 -15.222 5.754 3.858 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.326 6.081 1.939 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.717 7.729 2.798 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -16.889 6.746 0.979 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -15.416 6.167 0.226 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.596 8.933 0.616 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -14.189 9.279 1.649 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -14.035 8.143 0.288 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -16.685 4.332 1.197 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -15.124 4.521 2.032 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -16.620 5.110 2.796 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.675 7.832 2.479 1.00 0.30 N ATOM 1438 CA GLY A 99 -10.704 8.873 2.737 1.00 0.32 C ATOM 1439 C GLY A 99 -9.748 8.528 3.861 1.00 0.32 C ATOM 1440 O GLY A 99 -8.744 9.217 4.058 1.00 0.46 O ATOM 0 H GLY A 99 -11.365 7.111 1.827 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.133 9.063 1.828 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.227 9.797 2.984 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.036 7.461 4.593 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.194 7.074 5.714 1.00 0.19 C ATOM 1446 C ASP A 100 -8.042 6.213 5.234 1.00 0.15 C ATOM 1447 O ASP A 100 -8.241 5.271 4.466 1.00 0.15 O ATOM 1448 CB ASP A 100 -9.996 6.329 6.784 1.00 0.22 C ATOM 1449 CG ASP A 100 -10.817 7.254 7.660 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.240 8.190 8.254 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.047 7.055 7.749 1.00 0.37 O ATOM 0 H ASP A 100 -10.839 6.853 4.432 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.798 7.985 6.163 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.659 5.613 6.300 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.312 5.757 7.410 1.00 0.22 H new ATOM 1456 N ILE A 101 -6.838 6.553 5.673 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.648 5.807 5.294 1.00 0.16 C ATOM 1458 C ILE A 101 -5.192 4.937 6.459 1.00 0.16 C ATOM 1459 O ILE A 101 -5.293 5.337 7.620 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.489 6.745 4.897 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.004 7.925 4.065 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.428 5.973 4.120 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -3.947 8.967 3.769 1.00 0.21 C ATOM 0 H ILE A 101 -6.660 7.343 6.293 1.00 0.18 H new ATOM 0 HA ILE A 101 -5.908 5.191 4.433 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.040 7.140 5.809 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.403 7.548 3.124 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -5.830 8.399 4.595 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.616 6.646 3.846 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.037 5.167 4.741 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -3.872 5.553 3.217 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.384 9.771 3.177 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.564 9.373 4.705 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.130 8.509 3.211 1.00 0.21 H new ATOM 1475 N SER A 102 -4.695 3.757 6.148 1.00 0.16 N ATOM 1476 CA SER A 102 -4.246 2.821 7.162 1.00 0.19 C ATOM 1477 C SER A 102 -2.788 3.073 7.507 1.00 0.18 C ATOM 1478 O SER A 102 -2.009 3.522 6.663 1.00 0.22 O ATOM 1479 CB SER A 102 -4.413 1.386 6.655 1.00 0.25 C ATOM 1480 OG SER A 102 -3.616 1.153 5.505 1.00 0.92 O ATOM 0 H SER A 102 -4.591 3.420 5.191 1.00 0.16 H new ATOM 0 HA SER A 102 -4.850 2.962 8.058 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.135 0.685 7.442 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.461 1.201 6.418 1.00 0.25 H new ATOM 0 HG SER A 102 -3.094 0.333 5.629 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.400 2.813 8.760 1.00 0.21 N ATOM 1487 CA PRO A 103 -0.997 2.826 9.153 1.00 0.23 C ATOM 1488 C PRO A 103 -0.257 1.640 8.542 1.00 0.20 C ATOM 1489 O PRO A 103 -0.894 0.703 8.057 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.043 2.715 10.678 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.356 2.080 10.983 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.296 2.501 9.888 1.00 0.28 C ATOM 0 HA PRO A 103 -0.470 3.718 8.814 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.217 2.112 11.054 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -0.961 3.696 11.147 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.263 0.995 11.019 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.726 2.401 11.957 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -3.997 1.706 9.634 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -3.889 3.368 10.180 1.00 0.28 H new ATOM 1500 N ILE A 104 1.075 1.713 8.540 1.00 0.17 N ATOM 1501 CA ILE A 104 1.938 0.650 8.003 1.00 0.15 C ATOM 1502 C ILE A 104 1.432 -0.757 8.338 1.00 0.14 C ATOM 1503 O ILE A 104 1.638 -1.259 9.444 1.00 0.20 O ATOM 1504 CB ILE A 104 3.377 0.768 8.551 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.872 2.214 8.475 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.311 -0.160 7.785 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.828 2.804 7.085 1.00 0.17 C ATOM 0 H ILE A 104 1.591 2.511 8.911 1.00 0.17 H new ATOM 0 HA ILE A 104 1.921 0.787 6.922 1.00 0.15 H new ATOM 0 HB ILE A 104 3.371 0.469 9.599 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.267 2.830 9.140 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.896 2.257 8.845 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.322 -0.067 8.181 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.971 -1.190 7.895 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.309 0.112 6.729 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.194 3.830 7.114 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.456 2.213 6.419 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.802 2.795 6.718 1.00 0.17 H new ATOM 1519 N VAL A 105 0.778 -1.385 7.370 1.00 0.13 N ATOM 1520 CA VAL A 105 0.320 -2.758 7.515 1.00 0.15 C ATOM 1521 C VAL A 105 1.222 -3.691 6.713 1.00 0.15 C ATOM 1522 O VAL A 105 1.347 -3.561 5.492 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.166 -2.921 7.077 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.437 -2.198 5.771 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.554 -4.390 6.947 1.00 1.04 C ATOM 0 H VAL A 105 0.552 -0.961 6.470 1.00 0.13 H new ATOM 0 HA VAL A 105 0.376 -3.023 8.571 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.778 -2.472 7.859 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.482 -2.330 5.492 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.226 -1.136 5.893 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.798 -2.608 4.989 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.597 -4.465 6.640 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -0.921 -4.869 6.200 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.422 -4.888 7.908 1.00 1.04 H new ATOM 1535 N GLN A 106 1.882 -4.606 7.405 1.00 0.18 N ATOM 1536 CA GLN A 106 2.768 -5.551 6.751 1.00 0.20 C ATOM 1537 C GLN A 106 1.994 -6.762 6.254 1.00 0.23 C ATOM 1538 O GLN A 106 1.031 -7.206 6.880 1.00 0.29 O ATOM 1539 CB GLN A 106 3.880 -6.006 7.694 1.00 0.24 C ATOM 1540 CG GLN A 106 4.854 -4.908 8.081 1.00 0.25 C ATOM 1541 CD GLN A 106 6.083 -5.458 8.778 1.00 0.30 C ATOM 1542 OE1 GLN A 106 6.128 -5.556 10.006 1.00 0.55 O ATOM 1543 NE2 GLN A 106 7.081 -5.843 7.994 1.00 0.28 N ATOM 0 H GLN A 106 1.820 -4.713 8.417 1.00 0.18 H new ATOM 0 HA GLN A 106 3.218 -5.042 5.899 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.430 -6.413 8.599 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.433 -6.817 7.221 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.158 -4.362 7.188 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.354 -4.195 8.736 1.00 0.25 H new ATOM 0 HE21 GLN A 106 7.002 -5.744 6.982 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.928 -6.238 8.403 1.00 0.28 H new ATOM 1552 N THR A 107 2.433 -7.288 5.129 1.00 0.22 N ATOM 1553 CA THR A 107 1.813 -8.449 4.522 1.00 0.27 C ATOM 1554 C THR A 107 2.800 -9.604 4.472 1.00 0.34 C ATOM 1555 O THR A 107 3.895 -9.507 5.033 1.00 0.37 O ATOM 1556 CB THR A 107 1.315 -8.130 3.100 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.294 -7.344 2.404 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.010 -7.387 3.145 1.00 0.27 C ATOM 0 H THR A 107 3.231 -6.923 4.609 1.00 0.22 H new ATOM 0 HA THR A 107 0.956 -8.731 5.133 1.00 0.27 H new ATOM 0 HB THR A 107 1.164 -9.070 2.569 1.00 0.26 H new ATOM 0 HG1 THR A 107 2.049 -7.280 1.457 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.342 -7.173 2.129 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.756 -8.003 3.648 1.00 0.27 H new ATOM 0 HG23 THR A 107 0.116 -6.452 3.691 1.00 0.27 H new ATOM 1566 N ASP A 108 2.425 -10.688 3.812 1.00 0.40 N ATOM 1567 CA ASP A 108 3.319 -11.827 3.672 1.00 0.49 C ATOM 1568 C ASP A 108 4.529 -11.450 2.830 1.00 0.45 C ATOM 1569 O ASP A 108 5.644 -11.904 3.096 1.00 0.53 O ATOM 1570 CB ASP A 108 2.600 -13.037 3.058 1.00 0.60 C ATOM 1571 CG ASP A 108 2.082 -12.780 1.657 1.00 1.37 C ATOM 1572 OD1 ASP A 108 2.843 -13.002 0.690 1.00 2.16 O ATOM 1573 OD2 ASP A 108 0.921 -12.350 1.515 1.00 1.67 O ATOM 0 H ASP A 108 1.514 -10.804 3.367 1.00 0.40 H new ATOM 0 HA ASP A 108 3.654 -12.110 4.670 1.00 0.49 H new ATOM 0 HB2 ASP A 108 3.285 -13.884 3.035 1.00 0.60 H new ATOM 0 HB3 ASP A 108 1.766 -13.319 3.700 1.00 0.60 H new ATOM 1578 N SER A 109 4.324 -10.600 1.833 1.00 0.39 N ATOM 1579 CA SER A 109 5.417 -10.207 0.976 1.00 0.43 C ATOM 1580 C SER A 109 6.078 -8.935 1.498 1.00 0.53 C ATOM 1581 O SER A 109 7.239 -8.962 1.886 1.00 1.09 O ATOM 1582 CB SER A 109 4.926 -10.008 -0.462 1.00 0.47 C ATOM 1583 OG SER A 109 6.003 -10.078 -1.383 1.00 0.60 O ATOM 0 H SER A 109 3.423 -10.179 1.605 1.00 0.39 H new ATOM 0 HA SER A 109 6.160 -11.004 0.979 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.185 -10.769 -0.705 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.430 -9.041 -0.550 1.00 0.47 H new ATOM 0 HG SER A 109 6.753 -10.558 -0.973 1.00 0.60 H new ATOM 1589 N GLY A 110 5.339 -7.837 1.584 1.00 0.22 N ATOM 1590 CA GLY A 110 5.970 -6.598 1.958 1.00 0.19 C ATOM 1591 C GLY A 110 5.097 -5.700 2.799 1.00 0.16 C ATOM 1592 O GLY A 110 4.469 -6.137 3.763 1.00 0.24 O ATOM 0 H GLY A 110 4.336 -7.786 1.405 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.885 -6.818 2.508 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.262 -6.063 1.055 1.00 0.19 H new ATOM 1596 N LEU A 111 5.047 -4.447 2.403 1.00 0.12 N ATOM 1597 CA LEU A 111 4.425 -3.393 3.193 1.00 0.11 C ATOM 1598 C LEU A 111 3.308 -2.719 2.420 1.00 0.11 C ATOM 1599 O LEU A 111 3.376 -2.609 1.196 1.00 0.13 O ATOM 1600 CB LEU A 111 5.475 -2.351 3.564 1.00 0.12 C ATOM 1601 CG LEU A 111 6.070 -2.462 4.966 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.681 -3.833 5.203 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.114 -1.382 5.158 1.00 0.19 C ATOM 0 H LEU A 111 5.438 -4.123 1.518 1.00 0.12 H new ATOM 0 HA LEU A 111 4.004 -3.842 4.092 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.288 -2.412 2.841 1.00 0.12 H new ATOM 0 HB3 LEU A 111 5.028 -1.362 3.459 1.00 0.12 H new ATOM 0 HG LEU A 111 5.268 -2.329 5.692 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.095 -3.878 6.210 1.00 0.15 H new ATOM 0 HD12 LEU A 111 5.912 -4.598 5.093 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.474 -4.008 4.476 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.539 -1.461 6.159 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.904 -1.504 4.417 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.651 -0.403 5.036 1.00 0.19 H new ATOM 1615 N HIS A 112 2.285 -2.263 3.127 1.00 0.11 N ATOM 1616 CA HIS A 112 1.162 -1.593 2.488 1.00 0.12 C ATOM 1617 C HIS A 112 0.619 -0.449 3.330 1.00 0.14 C ATOM 1618 O HIS A 112 0.704 -0.462 4.557 1.00 0.22 O ATOM 1619 CB HIS A 112 0.015 -2.574 2.223 1.00 0.14 C ATOM 1620 CG HIS A 112 0.283 -3.574 1.148 1.00 0.16 C ATOM 1621 ND1 HIS A 112 -0.054 -3.366 -0.171 1.00 0.19 N ATOM 1622 CD2 HIS A 112 0.826 -4.807 1.206 1.00 0.18 C ATOM 1623 CE1 HIS A 112 0.266 -4.436 -0.875 1.00 0.22 C ATOM 1624 NE2 HIS A 112 0.802 -5.323 -0.063 1.00 0.21 N ATOM 0 H HIS A 112 2.209 -2.344 4.141 1.00 0.11 H new ATOM 0 HA HIS A 112 1.545 -1.194 1.549 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.210 -3.106 3.147 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.876 -2.006 1.957 1.00 0.14 H new ATOM 0 HD2 HIS A 112 1.209 -5.297 2.089 1.00 0.18 H new ATOM 0 HE1 HIS A 112 0.114 -4.562 -1.937 1.00 0.22 H new ATOM 0 HE2 HIS A 112 1.144 -6.245 -0.335 1.00 0.21 H new ATOM 1633 N ILE A 113 0.104 0.556 2.642 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.818 1.515 3.219 1.00 0.13 C ATOM 1635 C ILE A 113 -2.000 1.639 2.272 1.00 0.12 C ATOM 1636 O ILE A 113 -1.813 1.685 1.052 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.186 2.905 3.439 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.577 3.343 2.190 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.729 2.884 4.654 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.526 4.826 1.931 1.00 0.17 C ATOM 0 H ILE A 113 0.317 0.729 1.660 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.118 1.155 4.203 1.00 0.13 H new ATOM 0 HB ILE A 113 -0.981 3.627 3.625 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.619 3.037 2.287 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.170 2.819 1.325 1.00 0.15 H new ATOM 0 HG21 ILE A 113 1.168 3.872 4.796 1.00 0.15 H new ATOM 0 HG22 ILE A 113 0.153 2.612 5.538 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.523 2.153 4.499 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.091 5.057 1.028 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.510 5.137 1.801 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.961 5.358 2.777 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.206 1.629 2.808 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.393 1.654 1.972 1.00 0.11 C ATOM 1654 C ILE A 114 -5.354 2.734 2.446 1.00 0.11 C ATOM 1655 O ILE A 114 -5.479 2.978 3.643 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.139 0.291 1.968 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.172 -0.890 1.821 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.158 0.256 0.842 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.677 -1.446 3.141 1.00 0.18 C ATOM 0 H ILE A 114 -3.390 1.604 3.811 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.055 1.866 0.957 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.645 0.194 2.928 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.668 -1.686 1.266 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.315 -0.573 1.227 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.675 -0.704 0.849 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.882 1.059 0.981 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.650 0.388 -0.113 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -2.998 -2.278 2.954 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.151 -0.665 3.690 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.525 -1.795 3.730 1.00 0.18 H new ATOM 1671 N LYS A 115 -6.008 3.390 1.504 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.069 4.326 1.828 1.00 0.14 C ATOM 1673 C LYS A 115 -8.336 3.893 1.106 1.00 0.15 C ATOM 1674 O LYS A 115 -8.281 3.455 -0.047 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.686 5.763 1.438 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.947 6.104 -0.022 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.650 7.563 -0.324 1.00 0.24 C ATOM 1678 CE LYS A 115 -7.299 8.002 -1.629 1.00 0.35 C ATOM 1679 NZ LYS A 115 -7.062 9.442 -1.920 1.00 0.61 N ATOM 0 H LYS A 115 -5.822 3.291 0.506 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.236 4.320 2.905 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.242 6.459 2.067 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.628 5.916 1.652 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.332 5.469 -0.659 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.987 5.887 -0.265 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -7.013 8.187 0.493 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.572 7.712 -0.384 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.908 7.399 -2.448 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -8.372 7.815 -1.580 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -7.522 9.695 -2.818 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -7.458 10.021 -1.152 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -6.040 9.618 -1.994 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.467 3.982 1.780 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.722 3.547 1.187 1.00 0.17 C ATOM 1695 C ARG A 116 -11.323 4.639 0.320 1.00 0.19 C ATOM 1696 O ARG A 116 -11.412 5.795 0.725 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.697 3.136 2.280 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.037 2.638 1.782 1.00 0.28 C ATOM 1699 CD ARG A 116 -13.806 1.998 2.919 1.00 0.49 C ATOM 1700 NE ARG A 116 -15.048 1.374 2.489 1.00 0.79 N ATOM 1701 CZ ARG A 116 -15.670 0.433 3.193 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -15.169 0.041 4.359 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -16.787 -0.112 2.734 1.00 1.87 N ATOM 0 H ARG A 116 -9.545 4.347 2.729 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.522 2.687 0.548 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.236 2.354 2.883 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.864 3.989 2.938 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.610 3.466 1.365 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -12.890 1.916 0.979 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -13.177 1.248 3.398 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -14.028 2.755 3.671 1.00 0.49 H new ATOM 0 HE ARG A 116 -15.461 1.673 1.606 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -14.309 0.462 4.712 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -15.644 -0.681 4.901 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -17.171 0.190 1.839 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -17.262 -0.834 3.276 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.717 4.253 -0.880 1.00 0.22 N ATOM 1718 CA LEU A 117 -12.332 5.166 -1.826 1.00 0.27 C ATOM 1719 C LEU A 117 -13.845 5.007 -1.788 1.00 0.29 C ATOM 1720 O LEU A 117 -14.583 5.987 -1.833 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.812 4.888 -3.242 1.00 0.32 C ATOM 1722 CG LEU A 117 -10.456 5.511 -3.616 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -10.543 7.023 -3.681 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.372 5.091 -2.645 1.00 0.80 C ATOM 0 H LEU A 117 -11.620 3.298 -1.226 1.00 0.22 H new ATOM 0 HA LEU A 117 -12.073 6.188 -1.551 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.737 3.808 -3.371 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.557 5.243 -3.954 1.00 0.32 H new ATOM 0 HG LEU A 117 -10.193 5.140 -4.607 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -9.569 7.432 -3.948 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -11.277 7.313 -4.433 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.846 7.412 -2.709 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.426 5.547 -2.936 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.638 5.417 -1.639 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -9.271 4.006 -2.660 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.295 3.760 -1.701 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.715 3.450 -1.641 1.00 0.30 C ATOM 1738 C ALA A 118 -15.946 2.166 -0.852 1.00 0.30 C ATOM 1739 O ALA A 118 -16.315 2.253 0.335 1.00 1.10 O ATOM 1740 CB ALA A 118 -16.296 3.325 -3.042 1.00 0.39 C ATOM 1741 OXT ALA A 118 -15.729 1.077 -1.411 1.00 1.09 O ATOM 0 H ALA A 118 -13.688 2.941 -1.670 1.00 0.26 H new ATOM 0 HA ALA A 118 -16.224 4.267 -1.130 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.359 3.093 -2.976 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -16.163 4.266 -3.576 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.783 2.527 -3.579 1.00 0.39 H new