USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.528) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -163:sc= -0.0111 (180deg=-0.23) USER MOD Single : A 9 THR OG1 : rot 180:sc=0.000252 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 51:sc= 0.6 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= -0.0291 (180deg=-0.273) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= -1.2 (180deg=-3.37!) USER MOD Single : A 43 HIS : no HD1:sc= -0.711 K(o=-0.71,f=-0.16) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 76:sc= 0.947 USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= 0.0019 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.39! K(o=-2.4!,f=-1.7) USER MOD Single : A 63 GLN : amide:sc= -8.44! K(o=-8.4!,f=-3.8) USER MOD Single : A 67 SER OG : rot 99:sc= 1 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.598 USER MOD Single : A 76 THR OG1 : rot -57:sc= -1.03 USER MOD Single : A 78 GLN : amide:sc= -3.43! C(o=-3.4!,f=-5.2!) USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= 0.0118 (180deg=0.00279) USER MOD Single : A 82 LYS NZ :NH3+ -114:sc= -1.23 (180deg=-3.44!) USER MOD Single : A 84 GLN : amide:sc= -3.27! K(o=-3.3!,f=-0.47) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 128:sc= 1.07 USER MOD Single : A 93 ASN : amide:sc= -3.12! K(o=-3.1!,f=-1.4) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -179:sc= 0.073 USER MOD Single : A 102 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.1!) USER MOD Single : B 5 TYR OH : rot 5:sc= -3.71! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.035 -1.757 8.991 1.00 0.24 N ATOM 21 CA VAL A 2 -2.705 -1.622 8.322 1.00 0.19 C ATOM 22 C VAL A 2 -1.899 -2.912 8.512 1.00 0.22 C ATOM 23 O VAL A 2 -2.184 -3.710 9.383 1.00 0.28 O ATOM 24 CB VAL A 2 -1.948 -0.448 8.946 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.529 -0.383 8.376 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.684 0.857 8.631 1.00 0.30 C ATOM 0 HA VAL A 2 -2.847 -1.443 7.256 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.895 -0.588 10.026 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.005 0.455 8.824 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.003 -1.311 8.602 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.577 -0.247 7.296 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.146 1.695 9.075 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.739 0.992 7.551 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.692 0.815 9.043 1.00 0.30 H new ATOM 36 N LYS A 3 -0.894 -3.120 7.701 1.00 0.18 N ATOM 37 CA LYS A 3 -0.063 -4.356 7.831 1.00 0.22 C ATOM 38 C LYS A 3 1.328 -4.091 7.251 1.00 0.16 C ATOM 39 O LYS A 3 1.474 -3.752 6.094 1.00 0.13 O ATOM 40 CB LYS A 3 -0.719 -5.513 7.063 1.00 0.26 C ATOM 41 CG LYS A 3 -0.064 -6.842 7.457 1.00 0.34 C ATOM 42 CD LYS A 3 -0.932 -8.003 6.961 1.00 0.81 C ATOM 43 CE LYS A 3 -0.317 -9.335 7.404 1.00 1.37 C ATOM 44 NZ LYS A 3 -1.345 -10.409 7.312 1.00 1.97 N ATOM 0 H LYS A 3 -0.612 -2.487 6.953 1.00 0.18 H new ATOM 0 HA LYS A 3 0.018 -4.625 8.884 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.787 -5.546 7.281 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.617 -5.352 5.990 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.935 -6.910 7.026 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.052 -6.896 8.539 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.943 -7.909 7.357 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.011 -7.972 5.874 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.539 -9.580 6.775 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.052 -9.256 8.427 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -1.269 -11.034 8.140 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -2.293 -9.981 7.287 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.192 -10.963 6.445 1.00 1.97 H new ATOM 58 N GLN A 4 2.352 -4.241 8.048 1.00 0.18 N ATOM 59 CA GLN A 4 3.736 -3.996 7.547 1.00 0.15 C ATOM 60 C GLN A 4 4.307 -5.291 6.963 1.00 0.13 C ATOM 61 O GLN A 4 4.264 -6.339 7.578 1.00 0.14 O ATOM 62 CB GLN A 4 4.616 -3.517 8.712 1.00 0.20 C ATOM 63 CG GLN A 4 6.107 -3.602 8.331 1.00 0.21 C ATOM 64 CD GLN A 4 6.929 -2.705 9.261 1.00 0.27 C ATOM 65 OE1 GLN A 4 7.107 -3.015 10.421 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.442 -1.600 8.794 1.00 0.98 N ATOM 0 H GLN A 4 2.290 -4.523 9.026 1.00 0.18 H new ATOM 0 HA GLN A 4 3.716 -3.233 6.769 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.359 -2.490 8.972 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.425 -4.127 9.595 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.453 -4.633 8.405 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.246 -3.293 7.295 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.292 -1.340 7.819 1.00 0.98 H new ATOM 0 HE22 GLN A 4 7.993 -0.996 9.404 1.00 0.98 H new ATOM 75 N ILE A 5 4.856 -5.211 5.782 1.00 0.10 N ATOM 76 CA ILE A 5 5.459 -6.411 5.127 1.00 0.10 C ATOM 77 C ILE A 5 6.982 -6.266 5.174 1.00 0.10 C ATOM 78 O ILE A 5 7.544 -5.402 4.530 1.00 0.11 O ATOM 79 CB ILE A 5 5.014 -6.466 3.664 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.515 -6.113 3.528 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.300 -7.850 3.080 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.625 -7.004 4.412 1.00 0.19 C ATOM 0 H ILE A 5 4.914 -4.353 5.234 1.00 0.10 H new ATOM 0 HA ILE A 5 5.142 -7.319 5.640 1.00 0.10 H new ATOM 0 HB ILE A 5 5.583 -5.725 3.102 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.364 -5.068 3.799 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.212 -6.219 2.486 1.00 0.12 H new ATOM 0 HG21 ILE A 5 4.980 -7.879 2.039 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.369 -8.055 3.137 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.755 -8.604 3.648 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.581 -6.718 4.282 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.754 -8.047 4.124 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.908 -6.879 5.457 1.00 0.19 H new ATOM 94 N GLU A 6 7.652 -7.090 5.933 1.00 0.11 N ATOM 95 CA GLU A 6 9.140 -6.986 6.027 1.00 0.14 C ATOM 96 C GLU A 6 9.796 -8.085 5.183 1.00 0.14 C ATOM 97 O GLU A 6 10.995 -8.092 4.986 1.00 0.17 O ATOM 98 CB GLU A 6 9.552 -7.152 7.487 1.00 0.18 C ATOM 99 CG GLU A 6 8.657 -6.282 8.371 1.00 0.31 C ATOM 100 CD GLU A 6 9.173 -6.319 9.811 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.314 -5.940 10.020 1.00 1.96 O ATOM 102 OE2 GLU A 6 8.421 -6.728 10.679 1.00 1.97 O ATOM 0 H GLU A 6 7.234 -7.833 6.494 1.00 0.11 H new ATOM 0 HA GLU A 6 9.463 -6.014 5.654 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.468 -8.198 7.783 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.596 -6.867 7.616 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.650 -5.256 8.002 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.629 -6.642 8.332 1.00 0.31 H new ATOM 109 N SER A 7 9.025 -9.015 4.680 1.00 0.13 N ATOM 110 CA SER A 7 9.616 -10.109 3.849 1.00 0.15 C ATOM 111 C SER A 7 8.581 -10.616 2.842 1.00 0.14 C ATOM 112 O SER A 7 7.389 -10.494 3.043 1.00 0.12 O ATOM 113 CB SER A 7 10.050 -11.259 4.756 1.00 0.20 C ATOM 114 OG SER A 7 8.935 -11.708 5.515 1.00 0.23 O ATOM 0 H SER A 7 8.014 -9.065 4.808 1.00 0.13 H new ATOM 0 HA SER A 7 10.480 -9.722 3.309 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.450 -12.078 4.158 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.848 -10.931 5.421 1.00 0.20 H new ATOM 0 HG SER A 7 9.211 -12.447 6.096 1.00 0.23 H new ATOM 120 N LYS A 8 9.035 -11.180 1.756 1.00 0.15 N ATOM 121 CA LYS A 8 8.092 -11.696 0.723 1.00 0.14 C ATOM 122 C LYS A 8 7.071 -12.639 1.370 1.00 0.14 C ATOM 123 O LYS A 8 5.945 -12.748 0.925 1.00 0.13 O ATOM 124 CB LYS A 8 8.886 -12.451 -0.349 1.00 0.17 C ATOM 125 CG LYS A 8 8.036 -12.610 -1.613 1.00 0.21 C ATOM 126 CD LYS A 8 8.877 -13.259 -2.716 1.00 0.22 C ATOM 127 CE LYS A 8 7.991 -13.562 -3.926 1.00 1.06 C ATOM 128 NZ LYS A 8 7.107 -14.720 -3.617 1.00 1.90 N ATOM 0 H LYS A 8 10.024 -11.306 1.539 1.00 0.15 H new ATOM 0 HA LYS A 8 7.561 -10.861 0.267 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.803 -11.910 -0.583 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.181 -13.431 0.027 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.160 -13.223 -1.400 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.671 -11.637 -1.944 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.691 -12.594 -3.006 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.332 -14.178 -2.347 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.389 -12.689 -4.177 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.609 -13.785 -4.796 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.722 -15.108 -4.501 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 7.656 -15.455 -3.127 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 6.325 -14.407 -3.007 1.00 1.90 H new ATOM 142 N THR A 9 7.453 -13.328 2.413 1.00 0.16 N ATOM 143 CA THR A 9 6.500 -14.265 3.077 1.00 0.18 C ATOM 144 C THR A 9 5.271 -13.495 3.565 1.00 0.16 C ATOM 145 O THR A 9 4.146 -13.914 3.373 1.00 0.17 O ATOM 146 CB THR A 9 7.188 -14.936 4.263 1.00 0.21 C ATOM 147 OG1 THR A 9 8.480 -15.380 3.871 1.00 0.24 O ATOM 148 CG2 THR A 9 6.357 -16.129 4.737 1.00 0.25 C ATOM 0 H THR A 9 8.381 -13.283 2.833 1.00 0.16 H new ATOM 0 HA THR A 9 6.186 -15.025 2.362 1.00 0.18 H new ATOM 0 HB THR A 9 7.281 -14.219 5.079 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.923 -15.809 4.632 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.853 -16.604 5.584 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.368 -15.786 5.041 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.257 -16.849 3.924 1.00 0.25 H new ATOM 156 N ALA A 10 5.477 -12.375 4.197 1.00 0.16 N ATOM 157 CA ALA A 10 4.326 -11.574 4.702 1.00 0.17 C ATOM 158 C ALA A 10 3.564 -10.968 3.519 1.00 0.15 C ATOM 159 O ALA A 10 2.384 -10.691 3.605 1.00 0.17 O ATOM 160 CB ALA A 10 4.849 -10.460 5.615 1.00 0.20 C ATOM 0 H ALA A 10 6.397 -11.977 4.387 1.00 0.16 H new ATOM 0 HA ALA A 10 3.650 -12.216 5.267 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.011 -9.871 5.987 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.385 -10.900 6.456 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.524 -9.815 5.052 1.00 0.20 H new ATOM 166 N PHE A 11 4.227 -10.758 2.414 1.00 0.12 N ATOM 167 CA PHE A 11 3.537 -10.169 1.230 1.00 0.11 C ATOM 168 C PHE A 11 2.385 -11.071 0.796 1.00 0.13 C ATOM 169 O PHE A 11 1.233 -10.724 0.937 1.00 0.16 O ATOM 170 CB PHE A 11 4.528 -10.020 0.071 1.00 0.10 C ATOM 171 CG PHE A 11 3.848 -9.326 -1.090 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.490 -7.968 -0.982 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.585 -10.029 -2.282 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.867 -7.314 -2.062 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.960 -9.375 -3.363 1.00 0.18 C ATOM 176 CZ PHE A 11 2.602 -8.018 -3.252 1.00 0.21 C ATOM 0 H PHE A 11 5.216 -10.969 2.280 1.00 0.12 H new ATOM 0 HA PHE A 11 3.146 -9.189 1.503 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.397 -9.446 0.393 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.891 -11.000 -0.239 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.694 -7.428 -0.069 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.862 -11.069 -2.368 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.593 -6.273 -1.978 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.756 -9.915 -4.276 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.124 -7.517 -4.080 1.00 0.21 H new ATOM 186 N GLN A 12 2.686 -12.220 0.262 1.00 0.15 N ATOM 187 CA GLN A 12 1.601 -13.132 -0.193 1.00 0.19 C ATOM 188 C GLN A 12 0.617 -13.372 0.953 1.00 0.17 C ATOM 189 O GLN A 12 -0.583 -13.379 0.761 1.00 0.16 O ATOM 190 CB GLN A 12 2.207 -14.466 -0.637 1.00 0.24 C ATOM 191 CG GLN A 12 3.441 -14.202 -1.503 1.00 1.21 C ATOM 192 CD GLN A 12 3.888 -15.506 -2.166 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.928 -15.604 -3.376 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.228 -16.520 -1.417 1.00 2.47 N ATOM 0 H GLN A 12 3.635 -12.567 0.121 1.00 0.15 H new ATOM 0 HA GLN A 12 1.074 -12.677 -1.031 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.481 -15.061 0.234 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.472 -15.043 -1.198 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.212 -13.455 -2.263 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.248 -13.797 -0.892 1.00 1.21 H new ATOM 0 HE21 GLN A 12 4.194 -16.437 -0.401 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.527 -17.395 -1.848 1.00 2.47 H new ATOM 203 N GLU A 13 1.109 -13.568 2.141 1.00 0.19 N ATOM 204 CA GLU A 13 0.199 -13.807 3.291 1.00 0.20 C ATOM 205 C GLU A 13 -0.740 -12.612 3.466 1.00 0.18 C ATOM 206 O GLU A 13 -1.902 -12.770 3.780 1.00 0.19 O ATOM 207 CB GLU A 13 1.025 -13.997 4.560 1.00 0.25 C ATOM 208 CG GLU A 13 1.731 -15.353 4.523 1.00 0.30 C ATOM 209 CD GLU A 13 0.706 -16.470 4.723 1.00 1.29 C ATOM 210 OE1 GLU A 13 -0.426 -16.158 5.053 1.00 2.03 O ATOM 211 OE2 GLU A 13 1.071 -17.621 4.544 1.00 2.10 O ATOM 0 H GLU A 13 2.104 -13.573 2.366 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.393 -14.703 3.103 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.760 -13.197 4.649 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.380 -13.937 5.437 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.243 -15.482 3.569 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.492 -15.400 5.302 1.00 0.30 H new ATOM 218 N ALA A 14 -0.251 -11.419 3.270 1.00 0.18 N ATOM 219 CA ALA A 14 -1.128 -10.227 3.431 1.00 0.18 C ATOM 220 C ALA A 14 -2.284 -10.310 2.425 1.00 0.18 C ATOM 221 O ALA A 14 -3.435 -10.117 2.765 1.00 0.19 O ATOM 222 CB ALA A 14 -0.314 -8.959 3.174 1.00 0.20 C ATOM 0 H ALA A 14 0.714 -11.219 3.006 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.529 -10.199 4.444 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.955 -8.085 3.291 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.509 -8.904 3.887 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.085 -8.982 2.160 1.00 0.20 H new ATOM 228 N LEU A 15 -1.980 -10.600 1.187 1.00 0.17 N ATOM 229 CA LEU A 15 -3.048 -10.703 0.144 1.00 0.18 C ATOM 230 C LEU A 15 -3.989 -11.866 0.477 1.00 0.18 C ATOM 231 O LEU A 15 -5.195 -11.739 0.418 1.00 0.18 O ATOM 232 CB LEU A 15 -2.401 -10.948 -1.225 1.00 0.19 C ATOM 233 CG LEU A 15 -1.152 -10.076 -1.374 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.599 -10.222 -2.793 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.516 -8.610 -1.119 1.00 0.62 C ATOM 0 H LEU A 15 -1.033 -10.771 0.850 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.618 -9.774 0.120 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.135 -12.000 -1.328 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.112 -10.719 -2.019 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.399 -10.393 -0.652 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.291 -9.602 -2.902 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.340 -11.265 -2.977 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.354 -9.904 -3.512 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.626 -7.990 -1.225 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.268 -8.291 -1.840 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.913 -8.504 -0.110 1.00 0.62 H new ATOM 247 N ASP A 16 -3.448 -13.002 0.819 1.00 0.19 N ATOM 248 CA ASP A 16 -4.315 -14.168 1.146 1.00 0.21 C ATOM 249 C ASP A 16 -5.157 -13.847 2.383 1.00 0.20 C ATOM 250 O ASP A 16 -6.332 -14.150 2.443 1.00 0.20 O ATOM 251 CB ASP A 16 -3.441 -15.392 1.424 1.00 0.24 C ATOM 252 CG ASP A 16 -4.332 -16.618 1.634 1.00 0.28 C ATOM 253 OD1 ASP A 16 -4.631 -17.283 0.656 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.699 -16.871 2.769 1.00 1.09 O ATOM 0 H ASP A 16 -2.445 -13.173 0.886 1.00 0.19 H new ATOM 0 HA ASP A 16 -4.974 -14.378 0.304 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.760 -15.563 0.590 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.826 -15.220 2.308 1.00 0.24 H new ATOM 259 N ALA A 17 -4.564 -13.235 3.371 1.00 0.22 N ATOM 260 CA ALA A 17 -5.324 -12.895 4.606 1.00 0.24 C ATOM 261 C ALA A 17 -6.151 -11.627 4.372 1.00 0.21 C ATOM 262 O ALA A 17 -7.028 -11.298 5.146 1.00 0.22 O ATOM 263 CB ALA A 17 -4.342 -12.656 5.755 1.00 0.30 C ATOM 0 H ALA A 17 -3.583 -12.955 3.376 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.991 -13.719 4.858 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.895 -12.407 6.661 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.755 -13.558 5.925 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.676 -11.832 5.499 1.00 0.30 H new ATOM 269 N ALA A 18 -5.879 -10.912 3.314 1.00 0.21 N ATOM 270 CA ALA A 18 -6.653 -9.665 3.041 1.00 0.22 C ATOM 271 C ALA A 18 -8.097 -10.023 2.680 1.00 0.21 C ATOM 272 O ALA A 18 -8.986 -9.200 2.758 1.00 0.24 O ATOM 273 CB ALA A 18 -6.008 -8.906 1.878 1.00 0.23 C ATOM 0 H ALA A 18 -5.157 -11.135 2.629 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.649 -9.036 3.931 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.574 -7.996 1.679 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -4.982 -8.646 2.138 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.009 -9.535 0.988 1.00 0.23 H new ATOM 279 N GLY A 19 -8.338 -11.246 2.290 1.00 0.22 N ATOM 280 CA GLY A 19 -9.727 -11.655 1.928 1.00 0.24 C ATOM 281 C GLY A 19 -10.021 -11.264 0.479 1.00 0.20 C ATOM 282 O GLY A 19 -9.401 -11.757 -0.444 1.00 0.28 O ATOM 0 H GLY A 19 -7.634 -11.979 2.206 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.844 -12.731 2.055 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.443 -11.176 2.596 1.00 0.24 H new ATOM 286 N ASP A 20 -10.968 -10.382 0.272 1.00 0.13 N ATOM 287 CA ASP A 20 -11.320 -9.948 -1.118 1.00 0.18 C ATOM 288 C ASP A 20 -11.465 -8.426 -1.157 1.00 0.15 C ATOM 289 O ASP A 20 -11.787 -7.852 -2.179 1.00 0.22 O ATOM 290 CB ASP A 20 -12.645 -10.594 -1.529 1.00 0.26 C ATOM 291 CG ASP A 20 -13.043 -10.104 -2.923 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.155 -9.906 -3.736 1.00 2.19 O ATOM 293 OD2 ASP A 20 -14.229 -9.936 -3.153 1.00 2.21 O ATOM 0 H ASP A 20 -11.516 -9.941 1.010 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.532 -10.256 -1.806 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.548 -11.680 -1.528 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.423 -10.343 -0.808 1.00 0.26 H new ATOM 298 N LYS A 21 -11.222 -7.762 -0.059 1.00 0.12 N ATOM 299 CA LYS A 21 -11.337 -6.280 -0.052 1.00 0.19 C ATOM 300 C LYS A 21 -10.213 -5.698 -0.902 1.00 0.15 C ATOM 301 O LYS A 21 -9.282 -6.389 -1.269 1.00 0.15 O ATOM 302 CB LYS A 21 -11.207 -5.766 1.385 1.00 0.27 C ATOM 303 CG LYS A 21 -12.528 -5.975 2.128 1.00 0.29 C ATOM 304 CD LYS A 21 -12.295 -5.818 3.630 1.00 0.30 C ATOM 305 CE LYS A 21 -13.638 -5.654 4.340 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.441 -5.782 5.813 1.00 1.90 N ATOM 0 H LYS A 21 -10.950 -8.182 0.830 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.304 -5.979 -0.456 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.402 -6.292 1.899 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -10.944 -4.708 1.381 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.269 -5.252 1.786 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.927 -6.966 1.912 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.769 -6.690 4.020 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.662 -4.952 3.822 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.070 -4.682 4.103 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.341 -6.409 3.989 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.355 -5.670 6.296 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.047 -6.719 6.030 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -12.784 -5.045 6.141 1.00 1.90 H new ATOM 320 N LEU A 22 -10.281 -4.438 -1.216 1.00 0.13 N ATOM 321 CA LEU A 22 -9.206 -3.837 -2.036 1.00 0.11 C ATOM 322 C LEU A 22 -7.897 -3.921 -1.236 1.00 0.10 C ATOM 323 O LEU A 22 -7.911 -4.145 -0.042 1.00 0.11 O ATOM 324 CB LEU A 22 -9.572 -2.365 -2.341 1.00 0.12 C ATOM 325 CG LEU A 22 -9.386 -2.035 -3.831 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.749 -0.561 -4.064 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.928 -2.276 -4.255 1.00 0.11 C ATOM 0 H LEU A 22 -11.031 -3.804 -0.941 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.086 -4.366 -2.982 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.607 -2.179 -2.053 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -8.949 -1.702 -1.740 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.034 -2.680 -4.425 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.620 -0.317 -5.118 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.787 -0.392 -3.776 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.098 0.073 -3.463 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.812 -2.038 -5.312 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.268 -1.640 -3.666 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.669 -3.321 -4.088 1.00 0.11 H new ATOM 339 N VAL A 23 -6.772 -3.744 -1.873 1.00 0.08 N ATOM 340 CA VAL A 23 -5.474 -3.816 -1.133 1.00 0.09 C ATOM 341 C VAL A 23 -4.490 -2.817 -1.735 1.00 0.08 C ATOM 342 O VAL A 23 -3.905 -3.059 -2.769 1.00 0.09 O ATOM 343 CB VAL A 23 -4.891 -5.227 -1.248 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.691 -5.359 -0.311 1.00 0.12 C ATOM 345 CG2 VAL A 23 -5.958 -6.253 -0.861 1.00 0.10 C ATOM 0 H VAL A 23 -6.692 -3.553 -2.872 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.646 -3.578 -0.083 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.572 -5.407 -2.275 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.275 -6.363 -0.392 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -2.931 -4.628 -0.588 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.010 -5.180 0.716 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.543 -7.258 -0.943 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.278 -6.075 0.166 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.814 -6.158 -1.530 1.00 0.10 H new ATOM 355 N VAL A 24 -4.295 -1.694 -1.087 1.00 0.08 N ATOM 356 CA VAL A 24 -3.342 -0.672 -1.612 1.00 0.08 C ATOM 357 C VAL A 24 -2.018 -0.796 -0.854 1.00 0.08 C ATOM 358 O VAL A 24 -1.989 -0.862 0.359 1.00 0.08 O ATOM 359 CB VAL A 24 -3.933 0.724 -1.412 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.211 1.726 -2.318 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.422 0.703 -1.759 1.00 0.09 C ATOM 0 H VAL A 24 -4.758 -1.442 -0.214 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.168 -0.832 -2.676 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.806 1.023 -0.371 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.635 2.719 -2.172 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.150 1.744 -2.068 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.333 1.428 -3.359 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.843 1.698 -1.616 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.549 0.401 -2.799 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.937 -0.005 -1.110 1.00 0.09 H new ATOM 371 N VAL A 25 -0.923 -0.843 -1.569 1.00 0.09 N ATOM 372 CA VAL A 25 0.419 -0.977 -0.916 1.00 0.09 C ATOM 373 C VAL A 25 1.186 0.333 -1.052 1.00 0.10 C ATOM 374 O VAL A 25 1.200 0.948 -2.099 1.00 0.17 O ATOM 375 CB VAL A 25 1.206 -2.087 -1.617 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.394 -2.509 -0.749 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.291 -3.291 -1.846 1.00 0.09 C ATOM 0 H VAL A 25 -0.899 -0.794 -2.588 1.00 0.09 H new ATOM 0 HA VAL A 25 0.288 -1.217 0.139 1.00 0.09 H new ATOM 0 HB VAL A 25 1.574 -1.718 -2.574 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.950 -3.299 -1.253 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.048 -1.652 -0.586 1.00 0.12 H new ATOM 0 HG13 VAL A 25 2.031 -2.876 0.211 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.850 -4.083 -2.345 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.077 -3.656 -0.887 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.552 -2.994 -2.469 1.00 0.09 H new ATOM 387 N ASP A 26 1.833 0.756 0.000 1.00 0.08 N ATOM 388 CA ASP A 26 2.619 2.023 -0.045 1.00 0.08 C ATOM 389 C ASP A 26 4.110 1.688 -0.034 1.00 0.08 C ATOM 390 O ASP A 26 4.679 1.380 0.995 1.00 0.09 O ATOM 391 CB ASP A 26 2.277 2.872 1.180 1.00 0.09 C ATOM 392 CG ASP A 26 3.161 4.120 1.201 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.762 4.414 0.180 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.222 4.763 2.237 1.00 0.96 O ATOM 0 H ASP A 26 1.851 0.273 0.898 1.00 0.08 H new ATOM 0 HA ASP A 26 2.376 2.578 -0.951 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.226 3.159 1.154 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.427 2.292 2.091 1.00 0.09 H new ATOM 399 N PHE A 27 4.750 1.751 -1.169 1.00 0.08 N ATOM 400 CA PHE A 27 6.205 1.444 -1.222 1.00 0.09 C ATOM 401 C PHE A 27 6.970 2.725 -0.898 1.00 0.11 C ATOM 402 O PHE A 27 7.440 3.417 -1.781 1.00 0.13 O ATOM 403 CB PHE A 27 6.575 0.991 -2.636 1.00 0.10 C ATOM 404 CG PHE A 27 6.197 -0.458 -2.845 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.876 -0.808 -3.189 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.175 -1.459 -2.711 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.535 -2.161 -3.394 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.837 -2.810 -2.918 1.00 0.21 C ATOM 409 CZ PHE A 27 5.517 -3.161 -3.259 1.00 0.23 C ATOM 0 H PHE A 27 4.327 2.002 -2.062 1.00 0.08 H new ATOM 0 HA PHE A 27 6.452 0.656 -0.511 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.064 1.615 -3.369 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.645 1.120 -2.797 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.124 -0.040 -3.296 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.188 -1.191 -2.449 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.522 -2.430 -3.654 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.590 -3.577 -2.815 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.258 -4.197 -3.417 1.00 0.23 H new ATOM 419 N SER A 28 7.082 3.049 0.366 1.00 0.11 N ATOM 420 CA SER A 28 7.805 4.292 0.779 1.00 0.12 C ATOM 421 C SER A 28 9.073 3.916 1.540 1.00 0.10 C ATOM 422 O SER A 28 9.132 2.903 2.209 1.00 0.11 O ATOM 423 CB SER A 28 6.902 5.122 1.690 1.00 0.17 C ATOM 424 OG SER A 28 5.771 5.565 0.953 1.00 1.03 O ATOM 0 H SER A 28 6.700 2.501 1.137 1.00 0.11 H new ATOM 0 HA SER A 28 8.068 4.870 -0.107 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.583 4.526 2.545 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.451 5.977 2.084 1.00 0.17 H new ATOM 0 HG SER A 28 5.358 4.802 0.498 1.00 1.03 H new ATOM 430 N ALA A 29 10.087 4.733 1.456 1.00 0.10 N ATOM 431 CA ALA A 29 11.352 4.437 2.188 1.00 0.15 C ATOM 432 C ALA A 29 11.281 5.095 3.570 1.00 0.18 C ATOM 433 O ALA A 29 11.058 6.283 3.693 1.00 0.26 O ATOM 434 CB ALA A 29 12.536 4.995 1.387 1.00 0.19 C ATOM 0 H ALA A 29 10.094 5.595 0.911 1.00 0.10 H new ATOM 0 HA ALA A 29 11.485 3.362 2.308 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.465 4.783 1.916 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.563 4.526 0.403 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.422 6.073 1.272 1.00 0.19 H new ATOM 440 N THR A 30 11.452 4.328 4.612 1.00 0.18 N ATOM 441 CA THR A 30 11.377 4.902 5.986 1.00 0.23 C ATOM 442 C THR A 30 12.526 5.889 6.213 1.00 0.26 C ATOM 443 O THR A 30 12.450 6.759 7.058 1.00 0.31 O ATOM 444 CB THR A 30 11.454 3.771 7.017 1.00 0.26 C ATOM 445 OG1 THR A 30 11.147 4.286 8.305 1.00 0.32 O ATOM 446 CG2 THR A 30 12.861 3.168 7.028 1.00 0.28 C ATOM 0 H THR A 30 11.641 3.326 4.571 1.00 0.18 H new ATOM 0 HA THR A 30 10.432 5.434 6.098 1.00 0.23 H new ATOM 0 HB THR A 30 10.737 2.994 6.752 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.194 3.564 8.966 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.907 2.365 7.764 1.00 0.28 H new ATOM 0 HG22 THR A 30 13.094 2.769 6.041 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.586 3.940 7.288 1.00 0.28 H new ATOM 454 N TRP A 31 13.596 5.762 5.472 1.00 0.26 N ATOM 455 CA TRP A 31 14.749 6.693 5.657 1.00 0.32 C ATOM 456 C TRP A 31 14.557 7.933 4.784 1.00 0.32 C ATOM 457 O TRP A 31 15.207 8.943 4.970 1.00 0.36 O ATOM 458 CB TRP A 31 16.047 5.981 5.258 1.00 0.34 C ATOM 459 CG TRP A 31 16.071 5.745 3.781 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.686 4.601 3.166 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.503 6.652 2.728 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.857 4.748 1.800 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.356 5.994 1.478 1.00 0.29 C ATOM 464 CE3 TRP A 31 17.005 7.972 2.736 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.695 6.627 0.272 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.348 8.613 1.527 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.194 7.942 0.297 1.00 0.40 C ATOM 0 H TRP A 31 13.721 5.055 4.748 1.00 0.26 H new ATOM 0 HA TRP A 31 14.805 6.996 6.703 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.906 6.584 5.552 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.128 5.031 5.787 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.308 3.719 3.660 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.641 4.024 1.115 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.127 8.494 3.674 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.574 6.109 -0.668 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.730 9.623 1.544 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.459 8.437 -0.626 1.00 0.40 H new ATOM 478 N CYS A 32 13.675 7.860 3.825 1.00 0.28 N ATOM 479 CA CYS A 32 13.441 9.025 2.921 1.00 0.30 C ATOM 480 C CYS A 32 12.244 9.836 3.435 1.00 0.31 C ATOM 481 O CYS A 32 11.179 9.308 3.687 1.00 0.29 O ATOM 482 CB CYS A 32 13.174 8.496 1.506 1.00 0.28 C ATOM 483 SG CYS A 32 13.748 9.699 0.280 1.00 0.32 S ATOM 0 H CYS A 32 13.103 7.039 3.627 1.00 0.28 H new ATOM 0 HA CYS A 32 14.314 9.678 2.901 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.685 7.544 1.362 1.00 0.28 H new ATOM 0 HB3 CYS A 32 12.108 8.309 1.373 1.00 0.28 H new ATOM 488 N GLY A 33 12.425 11.117 3.598 1.00 0.34 N ATOM 489 CA GLY A 33 11.327 11.988 4.102 1.00 0.36 C ATOM 490 C GLY A 33 10.201 12.148 3.063 1.00 0.35 C ATOM 491 O GLY A 33 9.054 11.933 3.388 1.00 0.33 O ATOM 0 H GLY A 33 13.299 11.604 3.401 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.918 11.563 5.019 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.729 12.969 4.357 1.00 0.36 H new ATOM 495 N PRO A 34 10.540 12.551 1.855 1.00 0.37 N ATOM 496 CA PRO A 34 9.529 12.777 0.797 1.00 0.38 C ATOM 497 C PRO A 34 8.546 11.604 0.700 1.00 0.35 C ATOM 498 O PRO A 34 7.370 11.795 0.467 1.00 0.36 O ATOM 499 CB PRO A 34 10.360 12.944 -0.496 1.00 0.42 C ATOM 500 CG PRO A 34 11.823 13.223 -0.051 1.00 0.44 C ATOM 501 CD PRO A 34 11.934 12.804 1.433 1.00 0.40 C ATOM 0 HA PRO A 34 8.905 13.649 0.996 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.307 12.045 -1.110 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.975 13.766 -1.100 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.526 12.659 -0.664 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.068 14.278 -0.173 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.551 11.913 1.548 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.393 13.589 2.033 1.00 0.40 H new ATOM 509 N ALA A 35 9.006 10.403 0.876 1.00 0.33 N ATOM 510 CA ALA A 35 8.075 9.246 0.791 1.00 0.32 C ATOM 511 C ALA A 35 7.251 9.172 2.078 1.00 0.39 C ATOM 512 O ALA A 35 6.038 9.254 2.061 1.00 0.81 O ATOM 513 CB ALA A 35 8.883 7.957 0.612 1.00 0.36 C ATOM 0 H ALA A 35 9.979 10.170 1.074 1.00 0.33 H new ATOM 0 HA ALA A 35 7.405 9.368 -0.060 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.203 7.107 0.549 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.470 8.020 -0.304 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.551 7.825 1.463 1.00 0.36 H new ATOM 519 N LYS A 36 7.908 9.019 3.190 1.00 0.30 N ATOM 520 CA LYS A 36 7.190 8.937 4.492 1.00 0.28 C ATOM 521 C LYS A 36 6.390 10.221 4.745 1.00 0.24 C ATOM 522 O LYS A 36 5.494 10.253 5.565 1.00 0.25 O ATOM 523 CB LYS A 36 8.221 8.754 5.608 1.00 0.35 C ATOM 524 CG LYS A 36 7.499 8.476 6.931 1.00 0.38 C ATOM 525 CD LYS A 36 8.521 8.173 8.052 1.00 0.49 C ATOM 526 CE LYS A 36 8.873 9.461 8.806 1.00 1.22 C ATOM 527 NZ LYS A 36 7.721 9.857 9.665 1.00 1.92 N ATOM 0 H LYS A 36 8.923 8.946 3.255 1.00 0.30 H new ATOM 0 HA LYS A 36 6.498 8.095 4.470 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.891 7.929 5.367 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.837 9.649 5.699 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.891 9.337 7.208 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.820 7.632 6.811 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.107 7.439 8.744 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.423 7.735 7.624 1.00 0.49 H new ATOM 0 HE2 LYS A 36 9.762 9.307 9.418 1.00 1.22 H new ATOM 0 HE3 LYS A 36 9.106 10.258 8.100 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.061 10.447 10.451 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 7.035 10.396 9.099 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 7.262 9.005 10.045 1.00 1.92 H new ATOM 541 N MET A 37 6.712 11.282 4.063 1.00 0.23 N ATOM 542 CA MET A 37 5.981 12.562 4.283 1.00 0.24 C ATOM 543 C MET A 37 4.485 12.373 4.014 1.00 0.20 C ATOM 544 O MET A 37 3.668 13.165 4.438 1.00 0.20 O ATOM 545 CB MET A 37 6.535 13.639 3.340 1.00 0.29 C ATOM 546 CG MET A 37 5.843 14.986 3.605 1.00 1.31 C ATOM 547 SD MET A 37 4.307 15.079 2.653 1.00 2.12 S ATOM 548 CE MET A 37 3.645 16.568 3.441 1.00 3.13 C ATOM 0 H MET A 37 7.451 11.320 3.361 1.00 0.23 H new ATOM 0 HA MET A 37 6.119 12.872 5.319 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.611 13.740 3.484 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.379 13.340 2.304 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.630 15.094 4.669 1.00 1.31 H new ATOM 0 HG3 MET A 37 6.505 15.807 3.328 1.00 1.31 H new ATOM 0 HE1 MET A 37 2.680 16.815 2.999 1.00 3.13 H new ATOM 0 HE2 MET A 37 3.520 16.389 4.509 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.336 17.397 3.290 1.00 3.13 H new ATOM 558 N ILE A 38 4.120 11.343 3.293 1.00 0.18 N ATOM 559 CA ILE A 38 2.674 11.123 2.968 1.00 0.15 C ATOM 560 C ILE A 38 2.036 10.128 3.941 1.00 0.16 C ATOM 561 O ILE A 38 0.959 9.626 3.701 1.00 0.16 O ATOM 562 CB ILE A 38 2.555 10.580 1.537 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.360 11.490 0.589 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.071 10.540 1.103 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.432 10.879 -0.823 1.00 0.28 C ATOM 0 H ILE A 38 4.759 10.644 2.915 1.00 0.18 H new ATOM 0 HA ILE A 38 2.151 12.075 3.057 1.00 0.15 H new ATOM 0 HB ILE A 38 2.952 9.566 1.497 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.895 12.475 0.541 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.367 11.631 0.981 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.000 10.153 0.086 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.512 9.892 1.778 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.654 11.547 1.138 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.005 11.538 -1.476 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.918 9.905 -0.774 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.424 10.761 -1.220 1.00 0.28 H new ATOM 577 N LYS A 39 2.660 9.836 5.050 1.00 0.19 N ATOM 578 CA LYS A 39 2.015 8.872 5.983 1.00 0.22 C ATOM 579 C LYS A 39 0.711 9.425 6.590 1.00 0.20 C ATOM 580 O LYS A 39 -0.166 8.653 6.884 1.00 0.21 O ATOM 581 CB LYS A 39 2.976 8.393 7.108 1.00 0.31 C ATOM 582 CG LYS A 39 3.116 9.421 8.261 1.00 0.34 C ATOM 583 CD LYS A 39 3.559 8.719 9.554 1.00 0.45 C ATOM 584 CE LYS A 39 4.763 7.809 9.299 1.00 1.16 C ATOM 585 NZ LYS A 39 4.293 6.446 8.918 1.00 1.62 N ATOM 0 H LYS A 39 3.562 10.211 5.344 1.00 0.19 H new ATOM 0 HA LYS A 39 1.760 8.005 5.374 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.612 7.449 7.512 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.959 8.198 6.680 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.842 10.186 7.988 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.165 9.928 8.422 1.00 0.34 H new ATOM 0 HD2 LYS A 39 3.815 9.464 10.307 1.00 0.45 H new ATOM 0 HD3 LYS A 39 2.733 8.131 9.955 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.383 8.225 8.505 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.384 7.753 10.193 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 4.864 5.731 9.412 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.294 6.336 9.185 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.393 6.319 7.891 1.00 1.62 H new ATOM 599 N PRO A 40 0.592 10.716 6.826 1.00 0.20 N ATOM 600 CA PRO A 40 -0.626 11.216 7.469 1.00 0.21 C ATOM 601 C PRO A 40 -1.836 11.001 6.554 1.00 0.17 C ATOM 602 O PRO A 40 -2.965 11.229 6.942 1.00 0.20 O ATOM 603 CB PRO A 40 -0.358 12.709 7.740 1.00 0.24 C ATOM 604 CG PRO A 40 1.089 13.014 7.254 1.00 0.25 C ATOM 605 CD PRO A 40 1.581 11.770 6.487 1.00 0.21 C ATOM 0 HA PRO A 40 -0.858 10.691 8.396 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -1.080 13.331 7.212 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.462 12.932 8.802 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.102 13.894 6.610 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.742 13.228 8.100 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.615 11.953 5.413 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.587 11.485 6.794 1.00 0.21 H new ATOM 613 N PHE A 41 -1.606 10.564 5.342 1.00 0.14 N ATOM 614 CA PHE A 41 -2.732 10.327 4.387 1.00 0.14 C ATOM 615 C PHE A 41 -2.934 8.822 4.206 1.00 0.11 C ATOM 616 O PHE A 41 -3.853 8.243 4.741 1.00 0.13 O ATOM 617 CB PHE A 41 -2.385 10.958 3.033 1.00 0.15 C ATOM 618 CG PHE A 41 -2.595 12.450 3.106 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.586 13.278 3.631 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.802 13.010 2.649 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.785 14.671 3.701 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.003 14.403 2.718 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.993 15.234 3.244 1.00 0.27 C ATOM 0 H PHE A 41 -0.679 10.359 4.970 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.646 10.774 4.778 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.350 10.738 2.772 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.010 10.530 2.249 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.660 12.846 3.980 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.574 12.372 2.245 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.012 15.307 4.105 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.930 14.834 2.368 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.145 16.302 3.297 1.00 0.27 H new ATOM 633 N PHE A 42 -2.082 8.195 3.448 1.00 0.10 N ATOM 634 CA PHE A 42 -2.215 6.728 3.203 1.00 0.11 C ATOM 635 C PHE A 42 -2.560 5.985 4.500 1.00 0.11 C ATOM 636 O PHE A 42 -3.534 5.261 4.568 1.00 0.12 O ATOM 637 CB PHE A 42 -0.891 6.206 2.647 1.00 0.13 C ATOM 638 CG PHE A 42 -0.980 4.718 2.437 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.662 4.217 1.317 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.373 3.832 3.349 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.742 2.833 1.104 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.455 2.441 3.137 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.140 1.941 2.013 1.00 0.10 C ATOM 0 H PHE A 42 -1.290 8.638 2.982 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.021 6.555 2.490 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.660 6.703 1.705 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.079 6.438 3.337 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.126 4.898 0.619 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.154 4.218 4.209 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.266 2.450 0.241 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.007 1.759 3.836 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.204 0.876 1.848 1.00 0.10 H new ATOM 653 N HIS A 43 -1.776 6.152 5.527 1.00 0.14 N ATOM 654 CA HIS A 43 -2.068 5.449 6.812 1.00 0.16 C ATOM 655 C HIS A 43 -3.365 6.003 7.424 1.00 0.16 C ATOM 656 O HIS A 43 -4.111 5.284 8.061 1.00 0.18 O ATOM 657 CB HIS A 43 -0.870 5.631 7.773 1.00 0.21 C ATOM 658 CG HIS A 43 -1.307 5.559 9.213 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.173 4.410 9.972 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.886 6.493 10.038 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.663 4.676 11.198 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.112 5.932 11.291 1.00 0.39 N ATOM 0 H HIS A 43 -0.945 6.744 5.535 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.210 4.383 6.633 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.124 4.860 7.578 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.392 6.592 7.584 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -2.128 7.507 9.757 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.690 3.962 12.008 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.530 6.382 12.105 1.00 0.39 H new ATOM 670 N SER A 44 -3.638 7.265 7.248 1.00 0.20 N ATOM 671 CA SER A 44 -4.883 7.841 7.833 1.00 0.25 C ATOM 672 C SER A 44 -6.116 7.161 7.225 1.00 0.20 C ATOM 673 O SER A 44 -7.062 6.844 7.920 1.00 0.21 O ATOM 674 CB SER A 44 -4.941 9.342 7.549 1.00 0.34 C ATOM 675 OG SER A 44 -6.290 9.783 7.630 1.00 0.97 O ATOM 0 H SER A 44 -3.057 7.921 6.727 1.00 0.20 H new ATOM 0 HA SER A 44 -4.875 7.673 8.910 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.325 9.884 8.267 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.536 9.553 6.559 1.00 0.34 H new ATOM 0 HG SER A 44 -6.331 10.745 7.450 1.00 0.97 H new ATOM 681 N LEU A 45 -6.122 6.941 5.937 1.00 0.18 N ATOM 682 CA LEU A 45 -7.307 6.291 5.301 1.00 0.18 C ATOM 683 C LEU A 45 -7.658 5.006 6.055 1.00 0.16 C ATOM 684 O LEU A 45 -8.735 4.465 5.902 1.00 0.23 O ATOM 685 CB LEU A 45 -6.996 5.948 3.838 1.00 0.19 C ATOM 686 CG LEU A 45 -6.554 7.202 3.069 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.321 6.830 1.602 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.639 8.290 3.160 1.00 0.50 C ATOM 0 H LEU A 45 -5.362 7.181 5.300 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.150 6.981 5.339 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.211 5.193 3.795 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.878 5.517 3.365 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.633 7.588 3.505 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.007 7.714 1.048 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.545 6.067 1.539 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.245 6.443 1.174 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.315 9.174 2.611 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.567 7.915 2.728 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.805 8.552 4.205 1.00 0.50 H new ATOM 700 N SER A 46 -6.765 4.512 6.868 1.00 0.20 N ATOM 701 CA SER A 46 -7.066 3.263 7.624 1.00 0.25 C ATOM 702 C SER A 46 -8.329 3.466 8.467 1.00 0.17 C ATOM 703 O SER A 46 -9.081 2.541 8.707 1.00 0.15 O ATOM 704 CB SER A 46 -5.891 2.926 8.542 1.00 0.36 C ATOM 705 OG SER A 46 -4.693 2.893 7.779 1.00 0.51 O ATOM 0 H SER A 46 -5.845 4.916 7.041 1.00 0.20 H new ATOM 0 HA SER A 46 -7.225 2.445 6.922 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.810 3.669 9.335 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.056 1.962 9.023 1.00 0.36 H new ATOM 0 HG SER A 46 -4.409 3.809 7.576 1.00 0.51 H new ATOM 711 N GLU A 47 -8.563 4.668 8.927 1.00 0.21 N ATOM 712 CA GLU A 47 -9.773 4.935 9.766 1.00 0.21 C ATOM 713 C GLU A 47 -10.914 5.463 8.892 1.00 0.18 C ATOM 714 O GLU A 47 -12.068 5.418 9.272 1.00 0.18 O ATOM 715 CB GLU A 47 -9.431 5.983 10.829 1.00 0.32 C ATOM 716 CG GLU A 47 -8.154 5.572 11.564 1.00 0.39 C ATOM 717 CD GLU A 47 -8.386 4.245 12.290 1.00 1.24 C ATOM 718 OE1 GLU A 47 -9.134 4.243 13.253 1.00 2.00 O ATOM 719 OE2 GLU A 47 -7.810 3.255 11.869 1.00 1.98 O ATOM 0 H GLU A 47 -7.968 5.479 8.758 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.086 4.006 10.243 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.296 6.958 10.362 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.254 6.080 11.537 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.331 5.472 10.856 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.869 6.344 12.278 1.00 0.39 H new ATOM 726 N LYS A 48 -10.607 5.969 7.728 1.00 0.18 N ATOM 727 CA LYS A 48 -11.681 6.503 6.837 1.00 0.17 C ATOM 728 C LYS A 48 -12.194 5.380 5.936 1.00 0.15 C ATOM 729 O LYS A 48 -13.296 5.432 5.426 1.00 0.18 O ATOM 730 CB LYS A 48 -11.108 7.630 5.975 1.00 0.21 C ATOM 731 CG LYS A 48 -12.250 8.413 5.323 1.00 0.26 C ATOM 732 CD LYS A 48 -11.674 9.432 4.339 1.00 1.09 C ATOM 733 CE LYS A 48 -12.808 10.273 3.748 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.233 11.376 2.928 1.00 2.16 N ATOM 0 H LYS A 48 -9.660 6.036 7.354 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.503 6.889 7.441 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.501 8.296 6.588 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.453 7.217 5.208 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.923 7.731 4.804 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.839 8.922 6.087 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.956 10.077 4.846 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.135 8.919 3.543 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.456 9.648 3.133 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.425 10.683 4.547 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -12.857 12.207 2.977 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.292 11.627 3.294 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.148 11.065 1.939 1.00 2.16 H new ATOM 748 N TYR A 49 -11.399 4.357 5.745 1.00 0.13 N ATOM 749 CA TYR A 49 -11.819 3.208 4.886 1.00 0.13 C ATOM 750 C TYR A 49 -11.491 1.901 5.611 1.00 0.11 C ATOM 751 O TYR A 49 -10.624 1.153 5.204 1.00 0.11 O ATOM 752 CB TYR A 49 -11.064 3.261 3.551 1.00 0.15 C ATOM 753 CG TYR A 49 -11.723 4.265 2.636 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.917 3.924 1.974 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.150 5.537 2.445 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.540 4.853 1.122 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.772 6.468 1.593 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.968 6.127 0.930 1.00 0.21 C ATOM 759 OH TYR A 49 -13.579 7.039 0.094 1.00 0.24 O ATOM 0 H TYR A 49 -10.468 4.268 6.152 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.890 3.263 4.692 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.023 3.537 3.721 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.060 2.276 3.084 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.355 2.948 2.120 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.233 5.798 2.953 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.457 4.591 0.615 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.333 7.444 1.447 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.055 7.867 0.075 1.00 0.24 H new ATOM 769 N SER A 50 -12.182 1.618 6.679 1.00 0.12 N ATOM 770 CA SER A 50 -11.915 0.361 7.426 1.00 0.13 C ATOM 771 C SER A 50 -12.305 -0.830 6.550 1.00 0.13 C ATOM 772 O SER A 50 -12.109 -1.974 6.911 1.00 0.14 O ATOM 773 CB SER A 50 -12.739 0.348 8.713 1.00 0.16 C ATOM 774 OG SER A 50 -14.116 0.494 8.390 1.00 0.17 O ATOM 0 H SER A 50 -12.921 2.205 7.066 1.00 0.12 H new ATOM 0 HA SER A 50 -10.857 0.298 7.680 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.577 -0.585 9.253 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.420 1.156 9.371 1.00 0.16 H new ATOM 0 HG SER A 50 -14.648 0.484 9.213 1.00 0.17 H new ATOM 780 N ASN A 51 -12.857 -0.565 5.393 1.00 0.13 N ATOM 781 CA ASN A 51 -13.266 -1.668 4.475 1.00 0.15 C ATOM 782 C ASN A 51 -12.149 -1.921 3.462 1.00 0.13 C ATOM 783 O ASN A 51 -12.251 -2.788 2.617 1.00 0.14 O ATOM 784 CB ASN A 51 -14.540 -1.259 3.732 1.00 0.17 C ATOM 785 CG ASN A 51 -15.062 -2.442 2.916 1.00 0.20 C ATOM 786 OD1 ASN A 51 -15.969 -3.133 3.338 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.527 -2.708 1.757 1.00 0.32 N ATOM 0 H ASN A 51 -13.043 0.375 5.044 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.452 -2.575 5.050 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.299 -0.932 4.443 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.334 -0.414 3.075 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -14.870 -3.495 1.206 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -13.766 -2.129 1.402 1.00 0.32 H new ATOM 794 N VAL A 52 -11.081 -1.165 3.544 1.00 0.11 N ATOM 795 CA VAL A 52 -9.937 -1.340 2.593 1.00 0.10 C ATOM 796 C VAL A 52 -8.711 -1.824 3.360 1.00 0.10 C ATOM 797 O VAL A 52 -8.507 -1.484 4.510 1.00 0.11 O ATOM 798 CB VAL A 52 -9.610 0.001 1.942 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.386 -0.152 1.035 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.809 0.469 1.115 1.00 0.12 C ATOM 0 H VAL A 52 -10.951 -0.427 4.236 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.210 -2.068 1.829 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.393 0.738 2.715 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.155 0.807 0.571 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.533 -0.484 1.627 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.597 -0.888 0.260 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.578 1.427 0.649 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.027 -0.268 0.342 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.677 0.582 1.764 1.00 0.12 H new ATOM 810 N ILE A 53 -7.892 -2.624 2.732 1.00 0.09 N ATOM 811 CA ILE A 53 -6.669 -3.150 3.409 1.00 0.09 C ATOM 812 C ILE A 53 -5.459 -2.319 2.960 1.00 0.09 C ATOM 813 O ILE A 53 -5.183 -2.201 1.783 1.00 0.14 O ATOM 814 CB ILE A 53 -6.460 -4.612 3.001 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.809 -5.364 2.985 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.473 -5.291 3.960 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.605 -5.149 4.283 1.00 0.17 C ATOM 0 H ILE A 53 -8.018 -2.939 1.770 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.782 -3.085 4.491 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.041 -4.640 1.995 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.402 -5.025 2.136 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.628 -6.429 2.843 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.331 -6.330 3.661 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.516 -4.770 3.926 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.869 -5.256 4.975 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.546 -5.696 4.227 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.024 -5.512 5.131 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.810 -4.086 4.412 1.00 0.17 H new ATOM 829 N PHE A 54 -4.741 -1.742 3.891 1.00 0.08 N ATOM 830 CA PHE A 54 -3.544 -0.910 3.538 1.00 0.08 C ATOM 831 C PHE A 54 -2.277 -1.632 3.989 1.00 0.08 C ATOM 832 O PHE A 54 -2.174 -2.084 5.111 1.00 0.11 O ATOM 833 CB PHE A 54 -3.647 0.438 4.252 1.00 0.08 C ATOM 834 CG PHE A 54 -4.875 1.161 3.752 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.889 1.688 2.448 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.005 1.298 4.580 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.033 2.356 1.970 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.151 1.965 4.102 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.164 2.493 2.797 1.00 0.09 C ATOM 0 H PHE A 54 -4.933 -1.811 4.890 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.506 -0.752 2.460 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.709 0.290 5.330 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.755 1.035 4.063 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.022 1.580 1.813 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.994 0.892 5.581 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.043 2.763 0.970 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.019 2.071 4.736 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.042 3.003 2.430 1.00 0.09 H new ATOM 849 N LEU A 55 -1.310 -1.750 3.114 1.00 0.08 N ATOM 850 CA LEU A 55 -0.033 -2.450 3.462 1.00 0.09 C ATOM 851 C LEU A 55 1.111 -1.431 3.458 1.00 0.09 C ATOM 852 O LEU A 55 0.945 -0.292 3.070 1.00 0.10 O ATOM 853 CB LEU A 55 0.261 -3.532 2.408 1.00 0.10 C ATOM 854 CG LEU A 55 -0.542 -4.812 2.690 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.039 -4.494 2.838 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.337 -5.787 1.523 1.00 0.12 C ATOM 0 H LEU A 55 -1.351 -1.387 2.162 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.124 -2.910 4.446 1.00 0.09 H new ATOM 0 HB2 LEU A 55 0.013 -3.155 1.416 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.327 -3.761 2.405 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.193 -5.256 3.622 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.588 -5.414 3.037 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.183 -3.799 3.665 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.408 -4.043 1.917 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.901 -6.701 1.709 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.686 -5.327 0.599 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.722 -6.027 1.431 1.00 0.12 H new ATOM 868 N GLU A 56 2.277 -1.845 3.874 1.00 0.09 N ATOM 869 CA GLU A 56 3.455 -0.928 3.887 1.00 0.09 C ATOM 870 C GLU A 56 4.686 -1.750 3.496 1.00 0.09 C ATOM 871 O GLU A 56 4.826 -2.888 3.898 1.00 0.10 O ATOM 872 CB GLU A 56 3.631 -0.332 5.293 1.00 0.09 C ATOM 873 CG GLU A 56 4.492 0.937 5.222 1.00 0.11 C ATOM 874 CD GLU A 56 4.479 1.646 6.580 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.450 2.206 6.924 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.498 1.623 7.249 1.00 1.31 O ATOM 0 H GLU A 56 2.467 -2.790 4.209 1.00 0.09 H new ATOM 0 HA GLU A 56 3.315 -0.105 3.186 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.657 -0.097 5.722 1.00 0.09 H new ATOM 0 HB3 GLU A 56 4.100 -1.063 5.951 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.514 0.680 4.945 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.111 1.604 4.449 1.00 0.11 H new ATOM 883 N VAL A 57 5.564 -1.200 2.694 1.00 0.08 N ATOM 884 CA VAL A 57 6.769 -1.976 2.254 1.00 0.08 C ATOM 885 C VAL A 57 8.015 -1.088 2.261 1.00 0.09 C ATOM 886 O VAL A 57 7.988 0.050 1.830 1.00 0.14 O ATOM 887 CB VAL A 57 6.537 -2.491 0.832 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.725 -3.357 0.406 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.257 -3.328 0.788 1.00 0.09 C ATOM 0 H VAL A 57 5.501 -0.251 2.325 1.00 0.08 H new ATOM 0 HA VAL A 57 6.923 -2.807 2.943 1.00 0.08 H new ATOM 0 HB VAL A 57 6.438 -1.644 0.153 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.562 -3.725 -0.607 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.638 -2.762 0.433 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.822 -4.202 1.088 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.095 -3.693 -0.226 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.353 -4.175 1.467 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.410 -2.713 1.092 1.00 0.09 H new ATOM 899 N ASP A 58 9.114 -1.621 2.731 1.00 0.09 N ATOM 900 CA ASP A 58 10.392 -0.850 2.760 1.00 0.09 C ATOM 901 C ASP A 58 11.237 -1.279 1.554 1.00 0.10 C ATOM 902 O ASP A 58 11.773 -2.368 1.514 1.00 0.11 O ATOM 903 CB ASP A 58 11.139 -1.167 4.058 1.00 0.11 C ATOM 904 CG ASP A 58 12.208 -0.101 4.317 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.835 1.020 4.620 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.379 -0.425 4.209 1.00 1.08 O ATOM 0 H ASP A 58 9.180 -2.570 3.100 1.00 0.09 H new ATOM 0 HA ASP A 58 10.197 0.221 2.715 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.438 -1.202 4.892 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.603 -2.151 3.990 1.00 0.11 H new ATOM 911 N VAL A 59 11.329 -0.443 0.561 1.00 0.12 N ATOM 912 CA VAL A 59 12.104 -0.806 -0.662 1.00 0.15 C ATOM 913 C VAL A 59 13.577 -1.076 -0.336 1.00 0.18 C ATOM 914 O VAL A 59 14.314 -1.555 -1.174 1.00 0.27 O ATOM 915 CB VAL A 59 12.013 0.345 -1.665 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.571 0.472 -2.161 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.433 1.649 -0.984 1.00 0.22 C ATOM 0 H VAL A 59 10.899 0.482 0.541 1.00 0.12 H new ATOM 0 HA VAL A 59 11.678 -1.718 -1.081 1.00 0.15 H new ATOM 0 HB VAL A 59 12.674 0.146 -2.509 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.503 1.292 -2.876 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.269 -0.457 -2.644 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.912 0.672 -1.316 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.368 2.470 -1.698 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.771 1.849 -0.141 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.459 1.559 -0.627 1.00 0.22 H new ATOM 927 N ASP A 60 14.024 -0.767 0.857 1.00 0.16 N ATOM 928 CA ASP A 60 15.467 -0.999 1.206 1.00 0.18 C ATOM 929 C ASP A 60 15.620 -2.231 2.105 1.00 0.17 C ATOM 930 O ASP A 60 16.548 -3.001 1.956 1.00 0.18 O ATOM 931 CB ASP A 60 16.013 0.221 1.944 1.00 0.21 C ATOM 932 CG ASP A 60 15.898 1.459 1.051 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.783 1.660 0.236 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.930 2.186 1.201 1.00 1.11 O ATOM 0 H ASP A 60 13.457 -0.366 1.604 1.00 0.16 H new ATOM 0 HA ASP A 60 16.022 -1.164 0.282 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.459 0.376 2.870 1.00 0.21 H new ATOM 0 HB3 ASP A 60 17.054 0.055 2.220 1.00 0.21 H new ATOM 939 N ASP A 61 14.735 -2.421 3.050 1.00 0.17 N ATOM 940 CA ASP A 61 14.857 -3.600 3.964 1.00 0.17 C ATOM 941 C ASP A 61 14.059 -4.779 3.390 1.00 0.16 C ATOM 942 O ASP A 61 14.197 -5.902 3.834 1.00 0.18 O ATOM 943 CB ASP A 61 14.333 -3.208 5.359 1.00 0.19 C ATOM 944 CG ASP A 61 13.973 -4.453 6.176 1.00 0.22 C ATOM 945 OD1 ASP A 61 14.884 -5.160 6.573 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.792 -4.675 6.390 1.00 1.12 O ATOM 0 H ASP A 61 13.935 -1.814 3.229 1.00 0.17 H new ATOM 0 HA ASP A 61 15.900 -3.904 4.052 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.090 -2.628 5.887 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.456 -2.569 5.256 1.00 0.19 H new ATOM 951 N ALA A 62 13.239 -4.534 2.396 1.00 0.16 N ATOM 952 CA ALA A 62 12.441 -5.636 1.767 1.00 0.16 C ATOM 953 C ALA A 62 12.713 -5.639 0.261 1.00 0.16 C ATOM 954 O ALA A 62 11.808 -5.645 -0.548 1.00 0.15 O ATOM 955 CB ALA A 62 10.948 -5.404 2.016 1.00 0.17 C ATOM 0 H ALA A 62 13.087 -3.611 1.990 1.00 0.16 H new ATOM 0 HA ALA A 62 12.728 -6.593 2.202 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.373 -6.208 1.556 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.756 -5.388 3.089 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.650 -4.450 1.580 1.00 0.17 H new ATOM 961 N GLN A 63 13.964 -5.626 -0.116 1.00 0.20 N ATOM 962 CA GLN A 63 14.316 -5.619 -1.565 1.00 0.22 C ATOM 963 C GLN A 63 13.652 -6.802 -2.270 1.00 0.20 C ATOM 964 O GLN A 63 13.528 -6.823 -3.479 1.00 0.20 O ATOM 965 CB GLN A 63 15.839 -5.731 -1.716 1.00 0.29 C ATOM 966 CG GLN A 63 16.547 -4.548 -0.995 1.00 0.90 C ATOM 967 CD GLN A 63 17.220 -3.621 -2.018 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.284 -3.091 -1.765 1.00 2.17 O ATOM 969 NE2 GLN A 63 16.639 -3.404 -3.166 1.00 2.22 N ATOM 0 H GLN A 63 14.761 -5.620 0.521 1.00 0.20 H new ATOM 0 HA GLN A 63 13.965 -4.690 -2.015 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.183 -6.677 -1.298 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.106 -5.733 -2.773 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.821 -3.985 -0.408 1.00 0.90 H new ATOM 0 HG3 GLN A 63 17.292 -4.932 -0.298 1.00 0.90 H new ATOM 0 HE21 GLN A 63 15.746 -3.849 -3.378 1.00 2.22 H new ATOM 0 HE22 GLN A 63 17.078 -2.789 -3.852 1.00 2.22 H new ATOM 978 N ASP A 64 13.229 -7.790 -1.532 1.00 0.19 N ATOM 979 CA ASP A 64 12.580 -8.966 -2.174 1.00 0.20 C ATOM 980 C ASP A 64 11.212 -8.556 -2.718 1.00 0.17 C ATOM 981 O ASP A 64 10.824 -8.943 -3.803 1.00 0.19 O ATOM 982 CB ASP A 64 12.417 -10.088 -1.140 1.00 0.22 C ATOM 983 CG ASP A 64 11.977 -9.500 0.202 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.677 -8.318 0.242 1.00 1.11 O ATOM 985 OD2 ASP A 64 11.945 -10.244 1.169 1.00 1.09 O ATOM 0 H ASP A 64 13.304 -7.834 -0.516 1.00 0.19 H new ATOM 0 HA ASP A 64 13.200 -9.325 -2.996 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.680 -10.812 -1.489 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.359 -10.624 -1.021 1.00 0.22 H new ATOM 990 N VAL A 65 10.479 -7.766 -1.983 1.00 0.15 N ATOM 991 CA VAL A 65 9.145 -7.329 -2.475 1.00 0.16 C ATOM 992 C VAL A 65 9.342 -6.291 -3.583 1.00 0.16 C ATOM 993 O VAL A 65 8.736 -6.368 -4.633 1.00 0.19 O ATOM 994 CB VAL A 65 8.348 -6.720 -1.321 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.909 -6.466 -1.773 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.345 -7.694 -0.137 1.00 0.18 C ATOM 0 H VAL A 65 10.746 -7.406 -1.067 1.00 0.15 H new ATOM 0 HA VAL A 65 8.595 -8.183 -2.870 1.00 0.16 H new ATOM 0 HB VAL A 65 8.806 -5.778 -1.019 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.341 -6.032 -0.951 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.909 -5.777 -2.618 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.450 -7.408 -2.074 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.777 -7.263 0.688 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.886 -8.635 -0.441 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.370 -7.878 0.185 1.00 0.18 H new ATOM 1006 N ALA A 66 10.199 -5.329 -3.363 1.00 0.16 N ATOM 1007 CA ALA A 66 10.449 -4.297 -4.410 1.00 0.18 C ATOM 1008 C ALA A 66 11.053 -4.975 -5.639 1.00 0.19 C ATOM 1009 O ALA A 66 10.764 -4.618 -6.764 1.00 0.20 O ATOM 1010 CB ALA A 66 11.430 -3.252 -3.877 1.00 0.22 C ATOM 0 H ALA A 66 10.736 -5.214 -2.504 1.00 0.16 H new ATOM 0 HA ALA A 66 9.511 -3.809 -4.676 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.611 -2.499 -4.644 1.00 0.22 H new ATOM 0 HB2 ALA A 66 11.008 -2.775 -2.992 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.371 -3.736 -3.615 1.00 0.22 H new ATOM 1016 N SER A 67 11.890 -5.956 -5.432 1.00 0.21 N ATOM 1017 CA SER A 67 12.509 -6.659 -6.587 1.00 0.26 C ATOM 1018 C SER A 67 11.409 -7.358 -7.390 1.00 0.26 C ATOM 1019 O SER A 67 11.316 -7.215 -8.593 1.00 0.29 O ATOM 1020 CB SER A 67 13.516 -7.689 -6.080 1.00 0.31 C ATOM 1021 OG SER A 67 14.660 -7.013 -5.569 1.00 1.29 O ATOM 0 H SER A 67 12.170 -6.299 -4.513 1.00 0.21 H new ATOM 0 HA SER A 67 13.027 -5.942 -7.224 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.064 -8.304 -5.302 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.806 -8.360 -6.888 1.00 0.31 H new ATOM 0 HG SER A 67 14.596 -6.954 -4.593 1.00 1.29 H new ATOM 1027 N GLU A 68 10.569 -8.107 -6.727 1.00 0.26 N ATOM 1028 CA GLU A 68 9.466 -8.808 -7.443 1.00 0.30 C ATOM 1029 C GLU A 68 8.517 -7.770 -8.051 1.00 0.31 C ATOM 1030 O GLU A 68 7.945 -7.979 -9.101 1.00 0.36 O ATOM 1031 CB GLU A 68 8.697 -9.686 -6.448 1.00 0.31 C ATOM 1032 CG GLU A 68 7.704 -10.579 -7.199 1.00 0.39 C ATOM 1033 CD GLU A 68 8.461 -11.694 -7.924 1.00 1.43 C ATOM 1034 OE1 GLU A 68 8.884 -11.464 -9.045 1.00 2.19 O ATOM 1035 OE2 GLU A 68 8.604 -12.759 -7.346 1.00 2.20 O ATOM 0 H GLU A 68 10.600 -8.263 -5.720 1.00 0.26 H new ATOM 0 HA GLU A 68 9.878 -9.431 -8.236 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.394 -10.301 -5.878 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.166 -9.059 -5.732 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.986 -11.008 -6.501 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.136 -9.986 -7.916 1.00 0.39 H new ATOM 1042 N ALA A 69 8.343 -6.653 -7.393 1.00 0.29 N ATOM 1043 CA ALA A 69 7.429 -5.599 -7.928 1.00 0.31 C ATOM 1044 C ALA A 69 8.207 -4.665 -8.861 1.00 0.29 C ATOM 1045 O ALA A 69 7.642 -3.805 -9.507 1.00 0.33 O ATOM 1046 CB ALA A 69 6.853 -4.792 -6.763 1.00 0.31 C ATOM 0 H ALA A 69 8.795 -6.425 -6.507 1.00 0.29 H new ATOM 0 HA ALA A 69 6.619 -6.070 -8.485 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.185 -4.022 -7.149 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.297 -5.455 -6.101 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.666 -4.323 -6.208 1.00 0.31 H new ATOM 1052 N GLU A 70 9.498 -4.835 -8.941 1.00 0.27 N ATOM 1053 CA GLU A 70 10.317 -3.968 -9.836 1.00 0.29 C ATOM 1054 C GLU A 70 9.948 -2.493 -9.633 1.00 0.25 C ATOM 1055 O GLU A 70 9.610 -1.796 -10.569 1.00 0.26 O ATOM 1056 CB GLU A 70 10.061 -4.359 -11.293 1.00 0.38 C ATOM 1057 CG GLU A 70 10.399 -5.838 -11.489 1.00 1.18 C ATOM 1058 CD GLU A 70 10.245 -6.206 -12.967 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.121 -6.422 -13.389 1.00 2.06 O ATOM 1060 OE2 GLU A 70 11.254 -6.264 -13.650 1.00 2.34 O ATOM 0 H GLU A 70 10.023 -5.540 -8.423 1.00 0.27 H new ATOM 0 HA GLU A 70 11.371 -4.105 -9.594 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.018 -4.175 -11.553 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.668 -3.745 -11.958 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.419 -6.036 -11.158 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.741 -6.456 -10.879 1.00 1.18 H new ATOM 1067 N VAL A 71 10.024 -2.009 -8.423 1.00 0.22 N ATOM 1068 CA VAL A 71 9.693 -0.576 -8.168 1.00 0.19 C ATOM 1069 C VAL A 71 10.884 0.295 -8.580 1.00 0.23 C ATOM 1070 O VAL A 71 12.021 -0.033 -8.307 1.00 0.28 O ATOM 1071 CB VAL A 71 9.400 -0.379 -6.682 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.883 1.041 -6.458 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.335 -1.384 -6.237 1.00 0.19 C ATOM 0 H VAL A 71 10.301 -2.543 -7.599 1.00 0.22 H new ATOM 0 HA VAL A 71 8.815 -0.291 -8.748 1.00 0.19 H new ATOM 0 HB VAL A 71 10.310 -0.534 -6.103 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.672 1.188 -5.399 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.638 1.758 -6.781 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.970 1.191 -7.034 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.124 -1.245 -5.177 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.423 -1.226 -6.812 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.699 -2.398 -6.405 1.00 0.19 H new ATOM 1083 N LYS A 72 10.630 1.399 -9.248 1.00 0.24 N ATOM 1084 CA LYS A 72 11.745 2.298 -9.699 1.00 0.29 C ATOM 1085 C LYS A 72 11.519 3.722 -9.176 1.00 0.26 C ATOM 1086 O LYS A 72 12.353 4.589 -9.347 1.00 0.27 O ATOM 1087 CB LYS A 72 11.781 2.334 -11.231 1.00 0.35 C ATOM 1088 CG LYS A 72 12.224 0.972 -11.774 1.00 0.43 C ATOM 1089 CD LYS A 72 12.561 1.104 -13.262 1.00 1.16 C ATOM 1090 CE LYS A 72 13.111 -0.225 -13.784 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.294 -0.143 -15.260 1.00 2.40 N ATOM 0 H LYS A 72 9.694 1.717 -9.501 1.00 0.24 H new ATOM 0 HA LYS A 72 12.688 1.914 -9.309 1.00 0.29 H new ATOM 0 HB2 LYS A 72 10.795 2.587 -11.621 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.467 3.111 -11.569 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.094 0.614 -11.223 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.432 0.237 -11.633 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.670 1.386 -13.823 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.295 1.896 -13.410 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.062 -0.452 -13.301 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.426 -1.036 -13.536 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 13.668 -1.047 -15.614 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.379 0.054 -15.713 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 13.963 0.621 -15.485 1.00 2.40 H new ATOM 1105 N ALA A 73 10.403 3.980 -8.543 1.00 0.22 N ATOM 1106 CA ALA A 73 10.147 5.363 -8.020 1.00 0.20 C ATOM 1107 C ALA A 73 9.233 5.292 -6.794 1.00 0.18 C ATOM 1108 O ALA A 73 8.208 4.652 -6.825 1.00 0.16 O ATOM 1109 CB ALA A 73 9.480 6.209 -9.114 1.00 0.21 C ATOM 0 H ALA A 73 9.662 3.302 -8.365 1.00 0.22 H new ATOM 0 HA ALA A 73 11.094 5.822 -7.734 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.294 7.214 -8.734 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.137 6.265 -9.982 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.535 5.750 -9.404 1.00 0.21 H new ATOM 1115 N THR A 74 9.600 5.950 -5.716 1.00 0.18 N ATOM 1116 CA THR A 74 8.752 5.924 -4.477 1.00 0.17 C ATOM 1117 C THR A 74 8.170 7.332 -4.242 1.00 0.17 C ATOM 1118 O THR A 74 8.810 8.306 -4.587 1.00 0.19 O ATOM 1119 CB THR A 74 9.630 5.557 -3.262 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.826 6.320 -3.312 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.998 4.058 -3.254 1.00 0.19 C ATOM 0 H THR A 74 10.452 6.505 -5.641 1.00 0.18 H new ATOM 0 HA THR A 74 7.953 5.192 -4.598 1.00 0.17 H new ATOM 0 HB THR A 74 9.063 5.774 -2.357 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.390 6.095 -2.543 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.616 3.840 -2.383 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.088 3.460 -3.212 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.550 3.814 -4.162 1.00 0.19 H new ATOM 1129 N PRO A 75 7.001 7.427 -3.628 1.00 0.17 N ATOM 1130 CA PRO A 75 6.180 6.272 -3.186 1.00 0.16 C ATOM 1131 C PRO A 75 5.464 5.634 -4.387 1.00 0.14 C ATOM 1132 O PRO A 75 5.028 6.319 -5.291 1.00 0.14 O ATOM 1133 CB PRO A 75 5.149 6.886 -2.209 1.00 0.17 C ATOM 1134 CG PRO A 75 5.248 8.434 -2.343 1.00 0.20 C ATOM 1135 CD PRO A 75 6.428 8.743 -3.293 1.00 0.19 C ATOM 0 HA PRO A 75 6.778 5.487 -2.723 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.142 6.543 -2.448 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.357 6.575 -1.185 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.319 8.845 -2.739 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.410 8.894 -1.368 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.089 9.265 -4.188 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.166 9.384 -2.811 1.00 0.19 H new ATOM 1143 N THR A 76 5.323 4.327 -4.385 1.00 0.13 N ATOM 1144 CA THR A 76 4.612 3.634 -5.509 1.00 0.12 C ATOM 1145 C THR A 76 3.342 3.007 -4.948 1.00 0.12 C ATOM 1146 O THR A 76 3.398 2.151 -4.086 1.00 0.18 O ATOM 1147 CB THR A 76 5.496 2.520 -6.103 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.841 2.954 -6.122 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.047 2.201 -7.534 1.00 0.13 C ATOM 0 H THR A 76 5.671 3.710 -3.651 1.00 0.13 H new ATOM 0 HA THR A 76 4.383 4.355 -6.294 1.00 0.12 H new ATOM 0 HB THR A 76 5.403 1.623 -5.490 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.910 3.784 -6.638 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.677 1.413 -7.946 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.009 1.868 -7.524 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.135 3.095 -8.151 1.00 0.13 H new ATOM 1157 N PHE A 77 2.197 3.407 -5.427 1.00 0.09 N ATOM 1158 CA PHE A 77 0.934 2.809 -4.912 1.00 0.09 C ATOM 1159 C PHE A 77 0.538 1.659 -5.819 1.00 0.09 C ATOM 1160 O PHE A 77 0.291 1.832 -6.996 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.177 3.854 -4.885 1.00 0.10 C ATOM 1162 CG PHE A 77 0.129 4.849 -3.799 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.078 4.488 -2.457 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.626 6.126 -4.121 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.211 5.406 -1.431 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.915 7.047 -3.096 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.707 6.688 -1.750 1.00 0.12 C ATOM 0 H PHE A 77 2.081 4.118 -6.149 1.00 0.09 H new ATOM 0 HA PHE A 77 1.089 2.448 -3.895 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.248 4.356 -5.850 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.140 3.378 -4.702 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.458 3.507 -2.213 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.786 6.399 -5.154 1.00 0.14 H new ATOM 0 HE1 PHE A 77 0.053 5.130 -0.399 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.296 8.027 -3.342 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.927 7.394 -0.962 1.00 0.12 H new ATOM 1177 N GLN A 78 0.484 0.481 -5.269 1.00 0.07 N ATOM 1178 CA GLN A 78 0.114 -0.721 -6.061 1.00 0.07 C ATOM 1179 C GLN A 78 -1.184 -1.275 -5.494 1.00 0.06 C ATOM 1180 O GLN A 78 -1.362 -1.358 -4.294 1.00 0.07 O ATOM 1181 CB GLN A 78 1.233 -1.757 -5.929 1.00 0.08 C ATOM 1182 CG GLN A 78 2.585 -1.090 -6.208 1.00 0.12 C ATOM 1183 CD GLN A 78 3.629 -2.159 -6.544 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.736 -2.122 -6.044 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.321 -3.115 -7.376 1.00 1.03 N ATOM 0 H GLN A 78 0.684 0.297 -4.286 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.020 -0.474 -7.114 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.228 -2.187 -4.928 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.069 -2.576 -6.629 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.491 -0.387 -7.036 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.905 -0.516 -5.338 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.392 -3.146 -7.796 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.009 -3.832 -7.607 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.105 -1.627 -6.349 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.421 -2.151 -5.878 1.00 0.07 C ATOM 1196 C PHE A 79 -3.528 -3.636 -6.201 1.00 0.07 C ATOM 1197 O PHE A 79 -3.396 -4.048 -7.336 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.538 -1.383 -6.588 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.478 0.063 -6.162 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.443 0.882 -6.630 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.444 0.586 -5.287 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.365 2.230 -6.230 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.371 1.930 -4.877 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.332 2.753 -5.349 1.00 0.11 C ATOM 0 H PHE A 79 -2.002 -1.574 -7.362 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.510 -2.019 -4.800 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.424 -1.463 -7.669 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.509 -1.811 -6.337 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.700 0.477 -7.302 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.244 -0.044 -4.928 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.568 2.860 -6.597 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.112 2.330 -4.200 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.276 3.785 -5.036 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.774 -4.439 -5.198 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.905 -5.911 -5.405 1.00 0.08 C ATOM 1216 C PHE A 80 -5.287 -6.343 -4.937 1.00 0.11 C ATOM 1217 O PHE A 80 -5.935 -5.663 -4.165 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.837 -6.645 -4.589 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.485 -6.466 -5.241 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.084 -7.324 -6.284 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.622 -5.445 -4.800 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.180 -7.160 -6.886 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.641 -5.280 -5.402 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.043 -6.137 -6.442 1.00 0.14 C ATOM 0 H PHE A 80 -3.891 -4.132 -4.232 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.772 -6.152 -6.460 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.814 -6.258 -3.570 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.082 -7.705 -4.522 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.745 -8.108 -6.623 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.928 -4.788 -4.000 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.487 -7.817 -7.686 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.301 -4.495 -5.064 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.013 -6.012 -6.901 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.752 -7.462 -5.405 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.099 -7.935 -4.996 1.00 0.14 C ATOM 1236 C LYS A 81 -7.122 -9.450 -5.165 1.00 0.14 C ATOM 1237 O LYS A 81 -6.875 -9.957 -6.236 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.152 -7.265 -5.895 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.528 -7.271 -5.215 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.494 -6.383 -6.009 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.756 -6.131 -5.182 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.713 -5.307 -5.974 1.00 1.48 N ATOM 0 H LYS A 81 -5.256 -8.072 -6.055 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.320 -7.679 -3.960 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.853 -6.240 -6.112 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.210 -7.789 -6.849 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.914 -8.289 -5.160 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.441 -6.908 -4.191 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.014 -5.436 -6.256 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.755 -6.864 -6.952 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.218 -7.079 -4.906 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.500 -5.619 -4.255 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.631 -5.277 -5.487 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.341 -4.341 -6.072 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.835 -5.728 -6.917 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.382 -10.175 -4.116 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.387 -11.658 -4.222 1.00 0.20 C ATOM 1258 C LYS A 82 -6.045 -12.136 -4.786 1.00 0.20 C ATOM 1259 O LYS A 82 -5.984 -13.048 -5.584 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.524 -12.113 -5.145 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.860 -12.009 -4.405 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.984 -12.581 -5.279 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.143 -11.748 -6.561 1.00 1.19 C ATOM 1264 NZ LYS A 82 -10.204 -12.253 -7.603 1.00 1.67 N ATOM 0 H LYS A 82 -7.591 -9.805 -3.189 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.539 -12.087 -3.231 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.546 -11.496 -6.043 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.355 -13.140 -5.468 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.807 -12.553 -3.462 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.071 -10.968 -4.161 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.762 -13.617 -5.536 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.921 -12.585 -4.722 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.170 -11.809 -6.922 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.940 -10.698 -6.352 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -9.490 -11.526 -7.809 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -9.733 -13.113 -7.258 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -10.734 -12.473 -8.471 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.967 -11.532 -4.365 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.629 -11.959 -4.863 1.00 0.21 C ATOM 1280 C GLY A 83 -3.451 -11.547 -6.325 1.00 0.19 C ATOM 1281 O GLY A 83 -2.484 -11.920 -6.961 1.00 0.22 O ATOM 0 H GLY A 83 -4.955 -10.761 -3.697 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.846 -11.509 -4.253 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.526 -13.040 -4.767 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.376 -10.789 -6.871 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.258 -10.361 -8.309 1.00 0.17 C ATOM 1287 C GLN A 84 -4.053 -8.843 -8.404 1.00 0.16 C ATOM 1288 O GLN A 84 -4.595 -8.080 -7.635 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.543 -10.742 -9.056 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.536 -12.242 -9.360 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.549 -12.519 -10.495 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.408 -13.642 -10.936 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -3.853 -11.529 -10.984 1.00 2.08 N ATOM 0 H GLN A 84 -5.206 -10.448 -6.386 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.399 -10.862 -8.756 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.415 -10.487 -8.453 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.619 -10.173 -9.983 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.253 -12.804 -8.470 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.536 -12.573 -9.642 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -3.974 -10.587 -10.611 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.188 -11.697 -11.739 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.274 -8.404 -9.361 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.030 -6.938 -9.527 1.00 0.17 C ATOM 1304 C LYS A 85 -4.139 -6.333 -10.388 1.00 0.16 C ATOM 1305 O LYS A 85 -4.608 -6.947 -11.327 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.677 -6.716 -10.206 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.461 -5.213 -10.443 1.00 0.25 C ATOM 1308 CD LYS A 85 0.030 -4.925 -10.646 1.00 0.30 C ATOM 1309 CE LYS A 85 0.547 -5.704 -11.857 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.865 -5.150 -12.276 1.00 1.70 N ATOM 0 H LYS A 85 -2.795 -9.000 -10.036 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.025 -6.458 -8.548 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.876 -7.115 -9.584 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.642 -7.253 -11.154 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.025 -4.889 -11.318 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.837 -4.644 -9.593 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.187 -3.857 -10.795 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.589 -5.208 -9.754 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.647 -6.760 -11.608 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.166 -5.636 -12.678 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.218 -5.679 -13.099 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.755 -4.147 -12.529 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.543 -5.237 -11.492 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.568 -5.132 -10.071 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.660 -4.473 -10.862 1.00 0.16 C ATOM 1326 C VAL A 86 -5.198 -3.092 -11.350 1.00 0.18 C ATOM 1327 O VAL A 86 -5.674 -2.594 -12.350 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.899 -4.313 -9.974 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.591 -5.669 -9.807 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.477 -3.788 -8.601 1.00 0.17 C ATOM 0 H VAL A 86 -4.207 -4.577 -9.295 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.901 -5.092 -11.726 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.588 -3.609 -10.440 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.472 -5.553 -9.175 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.893 -6.046 -10.784 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.902 -6.374 -9.343 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.358 -3.674 -7.969 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.787 -4.493 -8.138 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -5.985 -2.822 -8.716 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.280 -2.463 -10.660 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.815 -1.116 -11.113 1.00 0.18 C ATOM 1342 C GLY A 87 -2.640 -0.639 -10.253 1.00 0.10 C ATOM 1343 O GLY A 87 -2.230 -1.302 -9.320 1.00 0.08 O ATOM 0 H GLY A 87 -3.837 -2.818 -9.813 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.513 -1.161 -12.159 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.635 -0.401 -11.049 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.093 0.510 -10.566 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.942 1.035 -9.775 1.00 0.10 C ATOM 1349 C GLU A 88 -0.579 2.444 -10.243 1.00 0.10 C ATOM 1350 O GLU A 88 -0.829 2.821 -11.370 1.00 0.11 O ATOM 1351 CB GLU A 88 0.273 0.118 -9.951 1.00 0.17 C ATOM 1352 CG GLU A 88 0.535 -0.144 -11.440 1.00 0.25 C ATOM 1353 CD GLU A 88 1.160 1.097 -12.082 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.224 1.496 -11.640 1.00 2.04 O ATOM 1355 OE2 GLU A 88 0.564 1.626 -13.006 1.00 1.94 O ATOM 0 H GLU A 88 -2.396 1.106 -11.336 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.228 1.066 -8.724 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.151 0.576 -9.496 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.102 -0.826 -9.434 1.00 0.17 H new ATOM 0 HG2 GLU A 88 1.200 -0.999 -11.557 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.398 -0.395 -11.944 1.00 0.25 H new ATOM 1362 N PHE A 89 0.031 3.222 -9.385 1.00 0.09 N ATOM 1363 CA PHE A 89 0.433 4.599 -9.784 1.00 0.09 C ATOM 1364 C PHE A 89 1.349 5.212 -8.719 1.00 0.09 C ATOM 1365 O PHE A 89 1.082 5.138 -7.541 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.812 5.482 -10.006 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.422 5.924 -8.688 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.798 6.927 -7.914 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.625 5.341 -8.238 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.375 7.338 -6.699 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.200 5.758 -7.023 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.576 6.756 -6.253 1.00 0.11 C ATOM 0 H PHE A 89 0.266 2.961 -8.427 1.00 0.09 H new ATOM 0 HA PHE A 89 0.983 4.544 -10.723 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.538 6.358 -10.593 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.553 4.930 -10.584 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.122 7.378 -8.255 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.106 4.574 -8.827 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.895 8.103 -6.106 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.122 5.311 -6.681 1.00 0.10 H new ATOM 0 HZ PHE A 89 -3.018 7.075 -5.321 1.00 0.11 H new ATOM 1382 N SER A 90 2.431 5.824 -9.132 1.00 0.13 N ATOM 1383 CA SER A 90 3.376 6.459 -8.155 1.00 0.14 C ATOM 1384 C SER A 90 3.192 7.978 -8.197 1.00 0.14 C ATOM 1385 O SER A 90 2.282 8.484 -8.823 1.00 0.17 O ATOM 1386 CB SER A 90 4.812 6.109 -8.549 1.00 0.15 C ATOM 1387 OG SER A 90 5.235 6.973 -9.595 1.00 0.16 O ATOM 0 H SER A 90 2.704 5.913 -10.111 1.00 0.13 H new ATOM 0 HA SER A 90 3.173 6.093 -7.148 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.473 6.211 -7.688 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.869 5.070 -8.874 1.00 0.15 H new ATOM 0 HG SER A 90 6.091 7.385 -9.353 1.00 0.16 H new ATOM 1393 N GLY A 91 4.049 8.712 -7.535 1.00 0.12 N ATOM 1394 CA GLY A 91 3.925 10.203 -7.535 1.00 0.13 C ATOM 1395 C GLY A 91 3.132 10.648 -6.306 1.00 0.13 C ATOM 1396 O GLY A 91 2.083 10.113 -6.006 1.00 0.13 O ATOM 0 H GLY A 91 4.831 8.344 -6.993 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.914 10.661 -7.528 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.425 10.537 -8.444 1.00 0.13 H new ATOM 1400 N ALA A 92 3.629 11.613 -5.583 1.00 0.15 N ATOM 1401 CA ALA A 92 2.903 12.076 -4.366 1.00 0.17 C ATOM 1402 C ALA A 92 1.508 12.586 -4.745 1.00 0.15 C ATOM 1403 O ALA A 92 1.322 13.749 -5.046 1.00 0.16 O ATOM 1404 CB ALA A 92 3.701 13.197 -3.681 1.00 0.20 C ATOM 0 H ALA A 92 4.503 12.100 -5.781 1.00 0.15 H new ATOM 0 HA ALA A 92 2.796 11.238 -3.677 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.167 13.533 -2.792 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.683 12.821 -3.394 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.819 14.033 -4.370 1.00 0.20 H new ATOM 1410 N ASN A 93 0.524 11.728 -4.703 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.872 12.149 -5.029 1.00 0.13 C ATOM 1412 C ASN A 93 -1.818 11.464 -4.038 1.00 0.12 C ATOM 1413 O ASN A 93 -2.492 10.505 -4.360 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.214 11.734 -6.465 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.389 12.572 -6.976 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.659 12.603 -8.161 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.104 13.256 -6.125 1.00 1.15 N ATOM 0 H ASN A 93 0.628 10.744 -4.455 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.973 13.232 -4.952 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.347 11.873 -7.111 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.469 10.675 -6.497 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.890 13.817 -6.454 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -2.877 13.230 -5.131 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.852 11.944 -2.825 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.724 11.324 -1.787 1.00 0.20 C ATOM 1426 C LYS A 94 -4.196 11.449 -2.184 1.00 0.18 C ATOM 1427 O LYS A 94 -5.002 10.593 -1.880 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.495 12.028 -0.442 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.463 13.566 -0.636 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.008 14.075 -0.757 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.440 14.384 0.632 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.968 14.852 0.499 1.00 1.19 N ATOM 0 H LYS A 94 -1.308 12.746 -2.506 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.472 10.267 -1.699 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.288 11.759 0.256 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.556 11.691 -0.003 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -3.023 13.836 -1.532 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.955 14.053 0.206 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.392 13.324 -1.251 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.978 14.970 -1.378 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -1.044 15.148 1.122 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.481 13.494 1.260 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.355 15.062 1.441 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.540 14.109 0.048 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.994 15.712 -0.085 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.564 12.503 -2.853 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.988 12.660 -3.252 1.00 0.20 C ATOM 1448 C GLU A 95 -6.346 11.583 -4.279 1.00 0.17 C ATOM 1449 O GLU A 95 -7.481 11.165 -4.386 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.190 14.045 -3.864 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.090 15.105 -2.764 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.229 16.497 -3.383 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -5.617 16.731 -4.412 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -6.944 17.306 -2.816 1.00 1.86 O ATOM 0 H GLU A 95 -3.943 13.260 -3.140 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.631 12.554 -2.378 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.438 14.229 -4.631 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.163 14.101 -4.351 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.870 14.947 -2.020 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.134 15.019 -2.247 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.381 11.128 -5.028 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.653 10.074 -6.044 1.00 0.14 C ATOM 1463 C LYS A 96 -6.006 8.770 -5.332 1.00 0.12 C ATOM 1464 O LYS A 96 -6.832 8.013 -5.790 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.414 9.871 -6.919 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.675 8.758 -7.941 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.513 8.693 -8.954 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.734 9.700 -10.101 1.00 1.18 C ATOM 1469 NZ LYS A 96 -4.414 9.014 -11.235 1.00 2.05 N ATOM 0 H LYS A 96 -4.412 11.442 -4.980 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.487 10.379 -6.676 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.166 10.799 -7.434 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.557 9.612 -6.297 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.778 7.800 -7.431 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.614 8.944 -8.463 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.571 8.910 -8.449 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.433 7.684 -9.359 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.338 10.538 -9.753 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -2.779 10.110 -10.429 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.564 9.691 -12.010 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -3.821 8.228 -11.571 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -5.332 8.643 -10.916 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.396 8.506 -4.207 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.719 7.251 -3.472 1.00 0.11 C ATOM 1485 C LEU A 97 -7.234 7.170 -3.283 1.00 0.11 C ATOM 1486 O LEU A 97 -7.831 6.115 -3.372 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.054 7.278 -2.088 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.572 6.905 -2.195 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.913 7.172 -0.836 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.419 5.409 -2.594 1.00 0.13 C ATOM 0 H LEU A 97 -4.693 9.101 -3.769 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.356 6.393 -4.037 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.154 8.271 -1.650 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.562 6.582 -1.421 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.088 7.505 -2.966 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.855 6.913 -0.887 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.017 8.227 -0.582 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.398 6.566 -0.071 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.361 5.158 -2.666 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.890 4.781 -1.838 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.899 5.239 -3.558 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.855 8.283 -3.008 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.330 8.283 -2.794 1.00 0.14 C ATOM 1504 C GLU A 98 -10.042 7.922 -4.098 1.00 0.13 C ATOM 1505 O GLU A 98 -10.802 6.977 -4.161 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.777 9.674 -2.335 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.208 9.601 -1.799 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.710 11.013 -1.488 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -12.199 11.660 -2.399 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -11.596 11.422 -0.345 1.00 2.05 O ATOM 0 H GLU A 98 -7.405 9.194 -2.922 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.584 7.547 -2.031 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.106 10.046 -1.560 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.725 10.377 -3.166 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.859 9.126 -2.533 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.240 8.986 -0.900 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.808 8.674 -5.135 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.476 8.387 -6.435 1.00 0.14 C ATOM 1519 C ALA A 99 -10.124 6.975 -6.912 1.00 0.12 C ATOM 1520 O ALA A 99 -10.963 6.263 -7.417 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.012 9.405 -7.478 1.00 0.15 C ATOM 0 H ALA A 99 -9.181 9.478 -5.139 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.556 8.457 -6.302 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.499 9.198 -8.431 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.274 10.410 -7.147 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.931 9.334 -7.600 1.00 0.15 H new ATOM 1527 N THR A 100 -8.891 6.571 -6.767 1.00 0.11 N ATOM 1528 CA THR A 100 -8.486 5.210 -7.232 1.00 0.11 C ATOM 1529 C THR A 100 -9.168 4.135 -6.383 1.00 0.10 C ATOM 1530 O THR A 100 -9.687 3.165 -6.899 1.00 0.11 O ATOM 1531 CB THR A 100 -6.966 5.061 -7.117 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.336 6.064 -7.904 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.549 3.679 -7.621 1.00 0.12 C ATOM 0 H THR A 100 -8.145 7.124 -6.346 1.00 0.11 H new ATOM 0 HA THR A 100 -8.790 5.087 -8.271 1.00 0.11 H new ATOM 0 HB THR A 100 -6.665 5.171 -6.075 1.00 0.11 H new ATOM 0 HG1 THR A 100 -5.363 5.965 -7.843 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.467 3.573 -7.539 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.035 2.911 -7.020 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.847 3.567 -8.664 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.180 4.296 -5.090 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.839 3.276 -4.224 1.00 0.11 C ATOM 1543 C ILE A 101 -11.318 3.191 -4.615 1.00 0.13 C ATOM 1544 O ILE A 101 -11.835 2.128 -4.888 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.692 3.696 -2.746 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.250 3.404 -2.283 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.683 2.914 -1.868 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.954 4.099 -0.944 1.00 0.18 C ATOM 0 H ILE A 101 -8.764 5.085 -4.596 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.374 2.299 -4.356 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.906 4.761 -2.651 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.108 2.328 -2.179 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.544 3.747 -3.039 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.568 3.220 -0.828 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.702 3.120 -2.197 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.483 1.846 -1.956 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.931 3.878 -0.638 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.074 5.176 -1.059 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.646 3.736 -0.185 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.000 4.303 -4.646 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.442 4.282 -5.019 1.00 0.17 C ATOM 1562 C ASN A 102 -13.593 3.728 -6.439 1.00 0.18 C ATOM 1563 O ASN A 102 -14.659 3.307 -6.842 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.000 5.706 -4.966 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.520 5.670 -5.129 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.087 4.633 -5.408 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.208 6.766 -4.964 1.00 1.03 N ATOM 0 H ASN A 102 -11.621 5.225 -4.429 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.990 3.649 -4.322 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.737 6.175 -4.018 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.554 6.311 -5.755 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.222 6.752 -5.069 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.731 7.637 -4.730 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.535 3.733 -7.202 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.613 3.215 -8.599 1.00 0.18 C ATOM 1576 C GLU A 103 -12.625 1.682 -8.593 1.00 0.19 C ATOM 1577 O GLU A 103 -13.550 1.055 -9.070 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.391 3.706 -9.389 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.678 3.639 -10.895 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.553 4.826 -11.307 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.034 5.929 -11.365 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -13.727 4.612 -11.560 1.00 2.02 O ATOM 0 H GLU A 103 -11.617 4.074 -6.918 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.530 3.578 -9.064 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.149 4.729 -9.102 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.522 3.094 -9.148 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.742 3.653 -11.454 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.181 2.703 -11.138 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.587 1.079 -8.077 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.506 -0.413 -8.057 1.00 0.19 C ATOM 1591 C LEU A 104 -12.099 -0.965 -6.755 1.00 0.19 C ATOM 1592 O LEU A 104 -11.812 -2.078 -6.362 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.036 -0.834 -8.172 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.437 -0.312 -9.489 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -7.908 -0.336 -9.400 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -9.886 -1.191 -10.666 1.00 0.35 C ATOM 0 H LEU A 104 -10.786 1.558 -7.666 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.076 -0.814 -8.895 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.471 -0.443 -7.326 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -9.957 -1.920 -8.133 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.785 0.708 -9.652 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.483 0.034 -10.333 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.581 0.299 -8.576 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.570 -1.358 -9.227 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.454 -0.809 -11.591 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -9.550 -2.215 -10.504 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -10.973 -1.174 -10.739 1.00 0.35 H new ATOM 1672 N PHE B 3 19.646 2.890 1.326 1.00 0.00 N ATOM 1673 CA PHE B 3 19.254 3.770 0.182 1.00 0.00 C ATOM 1674 C PHE B 3 18.917 2.906 -1.038 1.00 0.00 C ATOM 1675 O PHE B 3 19.373 1.787 -1.165 1.00 0.00 O ATOM 1676 CB PHE B 3 20.430 4.691 -0.157 1.00 0.00 C ATOM 1677 CG PHE B 3 20.503 5.806 0.861 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.894 5.524 2.183 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.179 7.123 0.488 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.964 6.561 3.134 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.248 8.161 1.438 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.641 7.880 2.761 1.00 0.00 C ATOM 0 HA PHE B 3 18.381 4.364 0.454 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.361 4.124 -0.160 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.306 5.105 -1.158 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.141 4.512 2.469 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.877 7.338 -0.526 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.265 6.345 4.148 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.000 9.172 1.152 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.695 8.676 3.489 1.00 0.00 H new ATOM 1692 N ARG B 4 18.123 3.424 -1.940 1.00 0.00 N ATOM 1693 CA ARG B 4 17.753 2.646 -3.163 1.00 0.00 C ATOM 1694 C ARG B 4 17.662 3.615 -4.352 1.00 0.00 C ATOM 1695 O ARG B 4 18.672 4.002 -4.908 1.00 0.00 O ATOM 1696 CB ARG B 4 16.401 1.937 -2.925 1.00 0.00 C ATOM 1697 CG ARG B 4 16.637 0.504 -2.408 1.00 0.00 C ATOM 1698 CD ARG B 4 16.953 -0.448 -3.582 1.00 0.00 C ATOM 1699 NE ARG B 4 15.704 -1.153 -3.991 1.00 0.00 N ATOM 1700 CZ ARG B 4 15.660 -1.810 -5.121 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.708 -1.846 -5.897 1.00 0.00 N ATOM 1702 NH2 ARG B 4 14.567 -2.432 -5.471 1.00 0.00 N ATOM 0 H ARG B 4 17.713 4.356 -1.883 1.00 0.00 H new ATOM 0 HA ARG B 4 18.506 1.888 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.809 2.499 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.829 1.908 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.462 0.499 -1.696 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.753 0.153 -1.875 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.359 0.114 -4.423 1.00 0.00 H new ATOM 0 HD3 ARG B 4 17.713 -1.171 -3.285 1.00 0.00 H new ATOM 0 HE ARG B 4 14.882 -1.123 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.563 -1.362 -5.623 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.673 -2.359 -6.778 1.00 0.00 H new ATOM 0 HH21 ARG B 4 13.748 -2.405 -4.863 1.00 0.00 H new ATOM 0 HH22 ARG B 4 14.532 -2.945 -6.352 1.00 0.00 H new ATOM 1716 N TYR B 5 16.470 4.014 -4.748 1.00 0.00 N ATOM 1717 CA TYR B 5 16.329 4.966 -5.903 1.00 0.00 C ATOM 1718 C TYR B 5 15.744 6.308 -5.432 1.00 0.00 C ATOM 1719 O TYR B 5 15.759 6.627 -4.260 1.00 0.00 O ATOM 1720 CB TYR B 5 15.464 4.332 -7.008 1.00 0.00 C ATOM 1721 CG TYR B 5 14.334 3.528 -6.423 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.533 2.183 -6.055 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.069 4.115 -6.286 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.461 1.431 -5.536 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.000 3.365 -5.777 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.193 2.024 -5.398 1.00 0.00 C ATOM 1727 OH TYR B 5 11.139 1.290 -4.896 1.00 0.00 O ATOM 0 H TYR B 5 15.591 3.722 -4.321 1.00 0.00 H new ATOM 0 HA TYR B 5 17.317 5.167 -6.318 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.062 5.114 -7.652 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.083 3.690 -7.635 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.506 1.729 -6.171 1.00 0.00 H new ATOM 0 HD2 TYR B 5 12.918 5.145 -6.573 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.612 0.402 -5.245 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.025 3.818 -5.675 1.00 0.00 H new ATOM 0 HH TYR B 5 11.460 0.408 -4.614 1.00 0.00 H new ATOM 1737 N VAL B 6 15.294 7.123 -6.352 1.00 0.00 N ATOM 1738 CA VAL B 6 14.781 8.482 -5.989 1.00 0.00 C ATOM 1739 C VAL B 6 13.420 8.434 -5.285 1.00 0.00 C ATOM 1740 O VAL B 6 12.585 7.596 -5.560 1.00 0.00 O ATOM 1741 CB VAL B 6 14.625 9.314 -7.271 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.620 10.804 -6.926 1.00 0.00 C ATOM 1743 CG2 VAL B 6 15.780 9.014 -8.220 1.00 0.00 C ATOM 0 H VAL B 6 15.259 6.904 -7.348 1.00 0.00 H new ATOM 0 HA VAL B 6 15.501 8.925 -5.301 1.00 0.00 H new ATOM 0 HB VAL B 6 13.682 9.054 -7.753 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.509 11.389 -7.839 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.789 11.019 -6.254 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.558 11.068 -6.438 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.667 9.605 -9.129 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.723 9.268 -7.737 1.00 0.00 H new ATOM 0 HG23 VAL B 6 15.776 7.954 -8.474 1.00 0.00 H new ATOM 1753 N CYS B 7 13.190 9.385 -4.410 1.00 0.00 N ATOM 1754 CA CYS B 7 11.878 9.485 -3.702 1.00 0.00 C ATOM 1755 C CYS B 7 11.063 10.585 -4.379 1.00 0.00 C ATOM 1756 O CYS B 7 11.206 11.750 -4.065 1.00 0.00 O ATOM 1757 CB CYS B 7 12.096 9.862 -2.234 1.00 0.00 C ATOM 1758 SG CYS B 7 13.374 8.815 -1.501 1.00 0.00 S ATOM 0 H CYS B 7 13.866 10.105 -4.155 1.00 0.00 H new ATOM 0 HA CYS B 7 11.360 8.527 -3.746 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.388 10.910 -2.160 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.164 9.751 -1.681 1.00 0.00 H new ATOM 1763 N GLU B 8 10.225 10.243 -5.319 1.00 0.00 N ATOM 1764 CA GLU B 8 9.433 11.299 -6.015 1.00 0.00 C ATOM 1765 C GLU B 8 8.184 11.649 -5.205 1.00 0.00 C ATOM 1766 O GLU B 8 7.113 11.854 -5.748 1.00 0.00 O ATOM 1767 CB GLU B 8 9.018 10.808 -7.401 1.00 0.00 C ATOM 1768 CG GLU B 8 8.469 9.383 -7.296 1.00 0.00 C ATOM 1769 CD GLU B 8 7.699 9.033 -8.572 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.311 9.032 -9.627 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.512 8.771 -8.470 1.00 0.00 O ATOM 0 H GLU B 8 10.055 9.288 -5.634 1.00 0.00 H new ATOM 0 HA GLU B 8 10.054 12.190 -6.114 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.261 11.470 -7.821 1.00 0.00 H new ATOM 0 HB3 GLU B 8 9.873 10.831 -8.077 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.287 8.678 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU B 8 7.814 9.298 -6.429 1.00 0.00 H new ATOM 1778 N GLY B 9 8.317 11.757 -3.914 1.00 0.00 N ATOM 1779 CA GLY B 9 7.144 12.138 -3.087 1.00 0.00 C ATOM 1780 C GLY B 9 6.785 13.588 -3.452 1.00 0.00 C ATOM 1781 O GLY B 9 6.838 13.930 -4.618 1.00 0.00 O ATOM 0 H GLY B 9 9.183 11.599 -3.399 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.303 11.472 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.378 12.055 -2.026 1.00 0.00 H new ATOM 1785 N PRO B 10 6.452 14.425 -2.488 1.00 0.00 N ATOM 1786 CA PRO B 10 6.135 15.831 -2.794 1.00 0.00 C ATOM 1787 C PRO B 10 7.406 16.541 -3.292 1.00 0.00 C ATOM 1788 O PRO B 10 7.547 17.743 -3.173 1.00 0.00 O ATOM 1789 CB PRO B 10 5.638 16.430 -1.455 1.00 0.00 C ATOM 1790 CG PRO B 10 5.725 15.304 -0.382 1.00 0.00 C ATOM 1791 CD PRO B 10 6.346 14.064 -1.059 1.00 0.00 C ATOM 0 HA PRO B 10 5.383 15.942 -3.575 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.250 17.284 -1.166 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.614 16.790 -1.552 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.335 15.625 0.462 1.00 0.00 H new ATOM 0 HG3 PRO B 10 4.735 15.071 0.010 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.323 13.831 -0.637 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.720 13.183 -0.919 1.00 0.00 H new ATOM 1799 N SER B 11 8.328 15.798 -3.848 1.00 0.00 N ATOM 1800 CA SER B 11 9.591 16.401 -4.354 1.00 0.00 C ATOM 1801 C SER B 11 9.382 16.878 -5.792 1.00 0.00 C ATOM 1802 O SER B 11 9.949 17.863 -6.220 1.00 0.00 O ATOM 1803 CB SER B 11 10.697 15.340 -4.321 1.00 0.00 C ATOM 1804 OG SER B 11 11.950 15.961 -4.578 1.00 0.00 O ATOM 0 H SER B 11 8.256 14.788 -3.973 1.00 0.00 H new ATOM 0 HA SER B 11 9.876 17.248 -3.730 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.715 14.847 -3.349 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.500 14.569 -5.066 1.00 0.00 H new ATOM 0 HG SER B 11 12.660 15.286 -4.556 1.00 0.00 H new