USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 903 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.012 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 7 SER OG : rot 180:sc= 0.00268 USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 0.681 (180deg=0.681) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc=-0.00439 (180deg=-0.162) USER MOD Single : A 28 SER OG : rot 19:sc= -0.625 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -157:sc= -0.0637 (180deg=-0.816) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc=-0.00935 (180deg=-0.00935) USER MOD Single : A 43 HIS : no HD1:sc= -1.8! C(o=-1.8!,f=-2.9!) USER MOD Single : A 44 SER OG : rot 68:sc= 0.868 USER MOD Single : A 46 SER OG : rot 92:sc= -0.518 USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0.621 (180deg=0.597) USER MOD Single : A 49 TYR OH : rot -103:sc= 0.26 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.235 X(o=-0.24,f=-0.24) USER MOD Single : A 63 GLN : amide:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : A 67 SER OG : rot -79:sc= 0.395 USER MOD Single : A 72 LYS NZ :NH3+ -137:sc= -0.61 (180deg=-0.978) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.581 USER MOD Single : A 76 THR OG1 : rot 118:sc= 0.37 USER MOD Single : A 78 GLN : amide:sc= -2.16 X(o=-2.2,f=-1.8!) USER MOD Single : A 81 LYS NZ :NH3+ -128:sc= 0.145 (180deg=-1.98!) USER MOD Single : A 82 LYS NZ :NH3+ 158:sc= -0.0558 (180deg=-0.47) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.831 F(o=-2.4!,f=-0.83) USER MOD Single : A 85 LYS NZ :NH3+ -135:sc= -2.5 (180deg=-7.39!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.62! C(o=-1.6!,f=-11!) 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 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.565 K(o=-0.57,f=-2.7!) USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN :FLIP amide:sc= -0.0484 F(o=-1.9!,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.789 -0.550 10.448 1.00 1.04 N ATOM 2 CA MET A 1 -7.444 -0.688 11.081 1.00 0.78 C ATOM 3 C MET A 1 -6.397 -0.962 9.999 1.00 0.57 C ATOM 4 O MET A 1 -6.644 -1.678 9.051 1.00 0.63 O ATOM 5 CB MET A 1 -7.470 -1.856 12.070 1.00 0.79 C ATOM 6 CG MET A 1 -6.136 -1.937 12.823 1.00 1.45 C ATOM 7 SD MET A 1 -6.004 -0.533 13.960 1.00 2.32 S ATOM 8 CE MET A 1 -6.624 -1.370 15.439 1.00 2.88 C ATOM 0 H1 MET A 1 -9.056 0.455 10.415 1.00 1.04 H new ATOM 0 H2 MET A 1 -8.758 -0.932 9.481 1.00 1.04 H new ATOM 0 H3 MET A 1 -9.491 -1.077 11.006 1.00 1.04 H new ATOM 0 HA MET A 1 -7.191 0.233 11.606 1.00 0.78 H new ATOM 0 HB2 MET A 1 -8.289 -1.726 12.778 1.00 0.79 H new ATOM 0 HB3 MET A 1 -7.654 -2.789 11.538 1.00 0.79 H new ATOM 0 HG2 MET A 1 -6.074 -2.874 13.376 1.00 1.45 H new ATOM 0 HG3 MET A 1 -5.306 -1.927 12.117 1.00 1.45 H new ATOM 0 HE1 MET A 1 -6.627 -0.673 16.277 1.00 2.88 H new ATOM 0 HE2 MET A 1 -7.639 -1.725 15.258 1.00 2.88 H new ATOM 0 HE3 MET A 1 -5.980 -2.217 15.674 1.00 2.88 H new ATOM 20 N VAL A 2 -5.220 -0.405 10.148 1.00 0.41 N ATOM 21 CA VAL A 2 -4.132 -0.627 9.141 1.00 0.28 C ATOM 22 C VAL A 2 -3.185 -1.715 9.656 1.00 0.23 C ATOM 23 O VAL A 2 -3.198 -2.055 10.821 1.00 0.24 O ATOM 24 CB VAL A 2 -3.355 0.680 8.944 1.00 0.33 C ATOM 25 CG1 VAL A 2 -2.093 0.427 8.111 1.00 0.45 C ATOM 26 CG2 VAL A 2 -4.244 1.682 8.211 1.00 0.40 C ATOM 0 H VAL A 2 -4.963 0.198 10.929 1.00 0.41 H new ATOM 0 HA VAL A 2 -4.564 -0.941 8.190 1.00 0.28 H new ATOM 0 HB VAL A 2 -3.066 1.073 9.918 1.00 0.33 H new ATOM 0 HG11 VAL A 2 -1.551 1.363 7.979 1.00 0.45 H new ATOM 0 HG12 VAL A 2 -1.456 -0.292 8.626 1.00 0.45 H new ATOM 0 HG13 VAL A 2 -2.374 0.030 7.136 1.00 0.45 H new ATOM 0 HG21 VAL A 2 -3.699 2.615 8.067 1.00 0.40 H new ATOM 0 HG22 VAL A 2 -4.529 1.274 7.241 1.00 0.40 H new ATOM 0 HG23 VAL A 2 -5.140 1.873 8.801 1.00 0.40 H new ATOM 36 N LYS A 3 -2.369 -2.271 8.792 1.00 0.20 N ATOM 37 CA LYS A 3 -1.418 -3.342 9.219 1.00 0.18 C ATOM 38 C LYS A 3 -0.027 -2.991 8.696 1.00 0.15 C ATOM 39 O LYS A 3 0.147 -2.715 7.526 1.00 0.16 O ATOM 40 CB LYS A 3 -1.870 -4.672 8.602 1.00 0.19 C ATOM 41 CG LYS A 3 -0.983 -5.831 9.089 1.00 0.20 C ATOM 42 CD LYS A 3 -1.439 -6.308 10.469 1.00 0.81 C ATOM 43 CE LYS A 3 -0.596 -7.512 10.876 1.00 1.03 C ATOM 44 NZ LYS A 3 -0.953 -7.928 12.259 1.00 1.67 N ATOM 0 H LYS A 3 -2.322 -2.026 7.803 1.00 0.20 H new ATOM 0 HA LYS A 3 -1.397 -3.426 10.306 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.909 -4.867 8.868 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.826 -4.607 7.515 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.029 -6.656 8.378 1.00 0.20 H new ATOM 0 HG3 LYS A 3 0.057 -5.507 9.134 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.331 -5.507 11.200 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.495 -6.577 10.445 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.763 -8.337 10.183 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.463 -7.261 10.823 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.377 -8.749 12.534 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -0.772 -7.142 12.916 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -1.960 -8.184 12.295 1.00 1.67 H new ATOM 58 N GLN A 4 0.970 -3.020 9.541 1.00 0.15 N ATOM 59 CA GLN A 4 2.353 -2.703 9.076 1.00 0.14 C ATOM 60 C GLN A 4 3.090 -4.011 8.793 1.00 0.12 C ATOM 61 O GLN A 4 3.193 -4.874 9.642 1.00 0.13 O ATOM 62 CB GLN A 4 3.090 -1.917 10.164 1.00 0.16 C ATOM 63 CG GLN A 4 4.494 -1.543 9.673 1.00 0.17 C ATOM 64 CD GLN A 4 5.233 -0.789 10.779 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.762 -0.713 11.896 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.378 -0.224 10.514 1.00 0.31 N ATOM 0 H GLN A 4 0.887 -3.249 10.531 1.00 0.15 H new ATOM 0 HA GLN A 4 2.312 -2.101 8.168 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.531 -1.016 10.417 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.160 -2.514 11.073 1.00 0.16 H new ATOM 0 HG2 GLN A 4 5.047 -2.441 9.398 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.426 -0.924 8.778 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.773 -0.288 9.576 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.878 0.282 11.245 1.00 0.31 H new ATOM 75 N ILE A 5 3.614 -4.155 7.606 1.00 0.10 N ATOM 76 CA ILE A 5 4.364 -5.395 7.247 1.00 0.10 C ATOM 77 C ILE A 5 5.859 -5.083 7.289 1.00 0.10 C ATOM 78 O ILE A 5 6.354 -4.307 6.497 1.00 0.11 O ATOM 79 CB ILE A 5 3.983 -5.814 5.829 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.458 -5.864 5.684 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.568 -7.186 5.523 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.848 -6.717 6.802 1.00 0.19 C ATOM 0 H ILE A 5 3.554 -3.460 6.862 1.00 0.10 H new ATOM 0 HA ILE A 5 4.125 -6.198 7.945 1.00 0.10 H new ATOM 0 HB ILE A 5 4.384 -5.083 5.127 1.00 0.11 H new ATOM 0 HG12 ILE A 5 2.048 -4.855 5.722 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.191 -6.280 4.712 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.294 -7.481 4.510 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.654 -7.146 5.608 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.176 -7.915 6.232 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.764 -6.745 6.688 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.245 -7.730 6.744 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.100 -6.283 7.770 1.00 0.19 H new ATOM 94 N GLU A 6 6.589 -5.670 8.205 1.00 0.11 N ATOM 95 CA GLU A 6 8.050 -5.387 8.286 1.00 0.13 C ATOM 96 C GLU A 6 8.832 -6.477 7.549 1.00 0.12 C ATOM 97 O GLU A 6 10.045 -6.431 7.466 1.00 0.13 O ATOM 98 CB GLU A 6 8.477 -5.362 9.756 1.00 0.15 C ATOM 99 CG GLU A 6 7.696 -4.267 10.494 1.00 0.17 C ATOM 100 CD GLU A 6 6.310 -4.783 10.889 1.00 1.45 C ATOM 101 OE1 GLU A 6 6.012 -5.925 10.589 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.567 -4.021 11.486 1.00 2.25 O ATOM 0 H GLU A 6 6.235 -6.331 8.897 1.00 0.11 H new ATOM 0 HA GLU A 6 8.258 -4.422 7.824 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.290 -6.332 10.217 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.548 -5.174 9.832 1.00 0.15 H new ATOM 0 HG2 GLU A 6 8.244 -3.956 11.384 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.597 -3.388 9.857 1.00 0.17 H new ATOM 109 N SER A 7 8.155 -7.451 6.997 1.00 0.12 N ATOM 110 CA SER A 7 8.884 -8.530 6.256 1.00 0.13 C ATOM 111 C SER A 7 7.979 -9.175 5.208 1.00 0.12 C ATOM 112 O SER A 7 6.770 -9.165 5.323 1.00 0.12 O ATOM 113 CB SER A 7 9.337 -9.617 7.232 1.00 0.15 C ATOM 114 OG SER A 7 8.197 -10.173 7.871 1.00 0.15 O ATOM 0 H SER A 7 7.140 -7.548 7.025 1.00 0.12 H new ATOM 0 HA SER A 7 9.745 -8.076 5.765 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.886 -10.394 6.701 1.00 0.15 H new ATOM 0 HB3 SER A 7 10.016 -9.197 7.974 1.00 0.15 H new ATOM 0 HG SER A 7 8.481 -10.872 8.497 1.00 0.15 H new ATOM 120 N LYS A 8 8.565 -9.767 4.199 1.00 0.14 N ATOM 121 CA LYS A 8 7.752 -10.448 3.152 1.00 0.15 C ATOM 122 C LYS A 8 7.006 -11.603 3.803 1.00 0.15 C ATOM 123 O LYS A 8 5.921 -11.967 3.404 1.00 0.16 O ATOM 124 CB LYS A 8 8.664 -11.010 2.061 1.00 0.18 C ATOM 125 CG LYS A 8 7.811 -11.454 0.867 1.00 0.21 C ATOM 126 CD LYS A 8 8.616 -12.407 -0.018 1.00 0.43 C ATOM 127 CE LYS A 8 9.868 -11.696 -0.527 1.00 0.80 C ATOM 128 NZ LYS A 8 10.477 -12.497 -1.624 1.00 1.65 N ATOM 0 H LYS A 8 9.574 -9.807 4.057 1.00 0.14 H new ATOM 0 HA LYS A 8 7.058 -9.735 2.708 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.384 -10.254 1.747 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.236 -11.853 2.448 1.00 0.18 H new ATOM 0 HG2 LYS A 8 6.905 -11.948 1.219 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.497 -10.585 0.289 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.895 -13.297 0.547 1.00 0.43 H new ATOM 0 HD3 LYS A 8 8.008 -12.741 -0.859 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.613 -10.699 -0.887 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.583 -11.568 0.286 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 11.340 -12.024 -1.962 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 10.718 -13.445 -1.269 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 9.800 -12.583 -2.409 1.00 1.65 H new ATOM 142 N THR A 9 7.595 -12.196 4.799 1.00 0.15 N ATOM 143 CA THR A 9 6.928 -13.342 5.461 1.00 0.17 C ATOM 144 C THR A 9 5.562 -12.893 5.962 1.00 0.16 C ATOM 145 O THR A 9 4.562 -13.542 5.732 1.00 0.17 O ATOM 146 CB THR A 9 7.780 -13.819 6.640 1.00 0.19 C ATOM 147 OG1 THR A 9 9.085 -14.133 6.176 1.00 0.22 O ATOM 148 CG2 THR A 9 7.150 -15.065 7.270 1.00 0.23 C ATOM 0 H THR A 9 8.505 -11.937 5.181 1.00 0.15 H new ATOM 0 HA THR A 9 6.809 -14.162 4.753 1.00 0.17 H new ATOM 0 HB THR A 9 7.833 -13.029 7.389 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.635 -14.437 6.928 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.762 -15.398 8.108 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.148 -14.826 7.625 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.091 -15.859 6.526 1.00 0.23 H new ATOM 156 N ALA A 10 5.504 -11.783 6.633 1.00 0.15 N ATOM 157 CA ALA A 10 4.193 -11.295 7.124 1.00 0.15 C ATOM 158 C ALA A 10 3.348 -10.849 5.927 1.00 0.14 C ATOM 159 O ALA A 10 2.135 -10.906 5.956 1.00 0.15 O ATOM 160 CB ALA A 10 4.402 -10.134 8.102 1.00 0.17 C ATOM 0 H ALA A 10 6.305 -11.194 6.862 1.00 0.15 H new ATOM 0 HA ALA A 10 3.672 -12.094 7.651 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.435 -9.780 8.459 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.999 -10.474 8.948 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.921 -9.321 7.595 1.00 0.17 H new ATOM 166 N PHE A 11 3.984 -10.408 4.870 1.00 0.14 N ATOM 167 CA PHE A 11 3.219 -9.958 3.670 1.00 0.13 C ATOM 168 C PHE A 11 2.384 -11.114 3.145 1.00 0.14 C ATOM 169 O PHE A 11 1.229 -10.962 2.799 1.00 0.14 O ATOM 170 CB PHE A 11 4.206 -9.533 2.573 1.00 0.14 C ATOM 171 CG PHE A 11 3.466 -8.861 1.437 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.838 -7.629 1.643 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.420 -9.469 0.174 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.158 -7.006 0.591 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.742 -8.844 -0.878 1.00 0.14 C ATOM 176 CZ PHE A 11 2.111 -7.614 -0.672 1.00 0.14 C ATOM 0 H PHE A 11 4.998 -10.341 4.788 1.00 0.14 H new ATOM 0 HA PHE A 11 2.574 -9.122 3.942 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.949 -8.851 2.986 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.745 -10.404 2.201 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.878 -7.158 2.614 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.908 -10.419 0.014 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.669 -6.056 0.752 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.706 -9.312 -1.850 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.588 -7.132 -1.485 1.00 0.14 H new ATOM 186 N GLN A 12 2.966 -12.268 3.081 1.00 0.14 N ATOM 187 CA GLN A 12 2.217 -13.446 2.573 1.00 0.16 C ATOM 188 C GLN A 12 1.078 -13.771 3.544 1.00 0.15 C ATOM 189 O GLN A 12 -0.034 -14.056 3.146 1.00 0.16 O ATOM 190 CB GLN A 12 3.174 -14.635 2.505 1.00 0.18 C ATOM 191 CG GLN A 12 4.279 -14.353 1.481 1.00 0.17 C ATOM 192 CD GLN A 12 3.671 -14.220 0.080 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.764 -13.177 -0.537 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.045 -15.237 -0.448 1.00 1.31 N ATOM 0 H GLN A 12 3.930 -12.451 3.358 1.00 0.14 H new ATOM 0 HA GLN A 12 1.807 -13.237 1.585 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.612 -14.817 3.486 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.629 -15.537 2.227 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.807 -13.437 1.746 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.013 -15.159 1.493 1.00 0.17 H new ATOM 0 HE21 GLN A 12 2.967 -16.112 0.070 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.634 -15.156 -1.378 1.00 1.31 H new ATOM 203 N GLU A 13 1.358 -13.717 4.816 1.00 0.16 N ATOM 204 CA GLU A 13 0.316 -14.010 5.844 1.00 0.17 C ATOM 205 C GLU A 13 -0.810 -12.979 5.770 1.00 0.15 C ATOM 206 O GLU A 13 -1.971 -13.302 5.922 1.00 0.16 O ATOM 207 CB GLU A 13 0.963 -13.980 7.236 1.00 0.19 C ATOM 208 CG GLU A 13 1.685 -15.304 7.515 1.00 0.28 C ATOM 209 CD GLU A 13 2.722 -15.589 6.425 1.00 0.95 C ATOM 210 OE1 GLU A 13 2.321 -15.849 5.301 1.00 1.67 O ATOM 211 OE2 GLU A 13 3.899 -15.557 6.737 1.00 1.77 O ATOM 0 H GLU A 13 2.275 -13.480 5.193 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.108 -14.996 5.656 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.669 -13.152 7.299 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.201 -13.806 7.995 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.174 -15.260 8.488 1.00 0.28 H new ATOM 0 HG3 GLU A 13 0.961 -16.118 7.558 1.00 0.28 H new ATOM 218 N ALA A 14 -0.479 -11.740 5.564 1.00 0.15 N ATOM 219 CA ALA A 14 -1.534 -10.696 5.503 1.00 0.14 C ATOM 220 C ALA A 14 -2.408 -10.936 4.277 1.00 0.13 C ATOM 221 O ALA A 14 -3.617 -10.813 4.333 1.00 0.13 O ATOM 222 CB ALA A 14 -0.882 -9.319 5.402 1.00 0.15 C ATOM 0 H ALA A 14 0.475 -11.404 5.435 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.146 -10.741 6.404 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.656 -8.553 5.357 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.253 -9.149 6.276 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.271 -9.271 4.501 1.00 0.15 H new ATOM 228 N LEU A 15 -1.816 -11.283 3.172 1.00 0.12 N ATOM 229 CA LEU A 15 -2.623 -11.531 1.955 1.00 0.12 C ATOM 230 C LEU A 15 -3.597 -12.664 2.252 1.00 0.13 C ATOM 231 O LEU A 15 -4.742 -12.641 1.851 1.00 0.13 O ATOM 232 CB LEU A 15 -1.703 -11.955 0.809 1.00 0.13 C ATOM 233 CG LEU A 15 -0.841 -10.766 0.355 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.276 -11.272 -0.569 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.699 -9.722 -0.389 1.00 0.17 C ATOM 0 H LEU A 15 -0.809 -11.405 3.061 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.160 -10.626 1.672 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.063 -12.776 1.131 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.297 -12.323 -0.027 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.407 -10.291 1.235 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.889 -10.431 -0.893 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.897 -11.988 -0.031 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.164 -11.757 -1.440 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.069 -8.889 -0.701 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.153 -10.183 -1.266 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.482 -9.355 0.274 1.00 0.17 H new ATOM 247 N ASP A 16 -3.140 -13.659 2.960 1.00 0.13 N ATOM 248 CA ASP A 16 -4.026 -14.802 3.288 1.00 0.15 C ATOM 249 C ASP A 16 -5.100 -14.366 4.295 1.00 0.15 C ATOM 250 O ASP A 16 -6.221 -14.832 4.254 1.00 0.16 O ATOM 251 CB ASP A 16 -3.195 -15.946 3.877 1.00 0.17 C ATOM 252 CG ASP A 16 -4.058 -17.208 3.954 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.113 -17.220 3.339 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.649 -18.139 4.626 1.00 1.07 O ATOM 0 H ASP A 16 -2.190 -13.727 3.324 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.516 -15.145 2.377 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.316 -16.129 3.258 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.835 -15.676 4.870 1.00 0.17 H new ATOM 259 N ALA A 17 -4.766 -13.488 5.206 1.00 0.15 N ATOM 260 CA ALA A 17 -5.772 -13.043 6.217 1.00 0.16 C ATOM 261 C ALA A 17 -6.860 -12.201 5.539 1.00 0.15 C ATOM 262 O ALA A 17 -8.020 -12.277 5.887 1.00 0.17 O ATOM 263 CB ALA A 17 -5.080 -12.211 7.303 1.00 0.18 C ATOM 0 H ALA A 17 -3.844 -13.061 5.294 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.231 -13.921 6.671 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.817 -11.888 8.039 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.318 -12.816 7.794 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.613 -11.337 6.849 1.00 0.18 H new ATOM 269 N ALA A 18 -6.502 -11.405 4.571 1.00 0.14 N ATOM 270 CA ALA A 18 -7.526 -10.567 3.880 1.00 0.15 C ATOM 271 C ALA A 18 -8.552 -11.475 3.194 1.00 0.14 C ATOM 272 O ALA A 18 -9.724 -11.162 3.122 1.00 0.17 O ATOM 273 CB ALA A 18 -6.846 -9.687 2.834 1.00 0.15 C ATOM 0 H ALA A 18 -5.548 -11.297 4.228 1.00 0.14 H new ATOM 0 HA ALA A 18 -8.030 -9.936 4.612 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.595 -9.076 2.330 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.117 -9.039 3.321 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.340 -10.317 2.102 1.00 0.15 H new ATOM 279 N GLY A 19 -8.121 -12.601 2.692 1.00 0.16 N ATOM 280 CA GLY A 19 -9.072 -13.529 2.013 1.00 0.20 C ATOM 281 C GLY A 19 -9.568 -12.910 0.705 1.00 0.16 C ATOM 282 O GLY A 19 -8.789 -12.557 -0.157 1.00 0.17 O ATOM 0 H GLY A 19 -7.152 -12.919 2.723 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.581 -14.481 1.811 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.917 -13.739 2.668 1.00 0.20 H new ATOM 286 N ASP A 20 -10.857 -12.790 0.535 1.00 0.15 N ATOM 287 CA ASP A 20 -11.398 -12.214 -0.734 1.00 0.14 C ATOM 288 C ASP A 20 -11.589 -10.701 -0.592 1.00 0.12 C ATOM 289 O ASP A 20 -12.103 -10.048 -1.477 1.00 0.13 O ATOM 290 CB ASP A 20 -12.741 -12.870 -1.053 1.00 0.15 C ATOM 291 CG ASP A 20 -12.541 -14.376 -1.229 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.466 -14.764 -1.661 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.461 -15.117 -0.928 1.00 1.07 O ATOM 0 H ASP A 20 -11.561 -13.066 1.220 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.691 -12.405 -1.541 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.452 -12.678 -0.250 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.162 -12.439 -1.961 1.00 0.15 H new ATOM 298 N LYS A 21 -11.178 -10.135 0.508 1.00 0.12 N ATOM 299 CA LYS A 21 -11.338 -8.663 0.687 1.00 0.12 C ATOM 300 C LYS A 21 -10.258 -7.942 -0.122 1.00 0.10 C ATOM 301 O LYS A 21 -9.171 -8.453 -0.306 1.00 0.11 O ATOM 302 CB LYS A 21 -11.168 -8.309 2.165 1.00 0.15 C ATOM 303 CG LYS A 21 -12.354 -8.832 2.972 1.00 0.21 C ATOM 304 CD LYS A 21 -12.295 -8.233 4.377 1.00 0.31 C ATOM 305 CE LYS A 21 -13.477 -8.735 5.199 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.260 -10.168 5.545 1.00 1.50 N ATOM 0 H LYS A 21 -10.740 -10.624 1.288 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.328 -8.359 0.347 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.242 -8.740 2.545 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.088 -7.228 2.281 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.291 -8.561 2.485 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.325 -9.920 3.024 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.359 -8.510 4.862 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.315 -7.145 4.320 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.582 -8.141 6.107 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -14.402 -8.621 4.635 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.939 -10.455 6.279 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -13.398 -10.755 4.697 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -12.291 -10.296 5.900 1.00 1.50 H new ATOM 320 N LEU A 22 -10.537 -6.760 -0.606 1.00 0.11 N ATOM 321 CA LEU A 22 -9.517 -6.025 -1.398 1.00 0.12 C ATOM 322 C LEU A 22 -8.300 -5.785 -0.483 1.00 0.12 C ATOM 323 O LEU A 22 -8.426 -5.776 0.727 1.00 0.14 O ATOM 324 CB LEU A 22 -10.128 -4.680 -1.854 1.00 0.15 C ATOM 325 CG LEU A 22 -9.732 -4.321 -3.299 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.264 -2.907 -3.650 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.202 -4.356 -3.465 1.00 0.47 C ATOM 0 H LEU A 22 -11.427 -6.276 -0.485 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.208 -6.587 -2.279 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.214 -4.732 -1.779 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.800 -3.887 -1.182 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.173 -5.055 -3.974 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -9.982 -2.656 -4.673 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.350 -2.894 -3.559 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.834 -2.176 -2.965 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.941 -4.100 -4.492 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.746 -3.637 -2.785 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.834 -5.356 -3.236 1.00 0.47 H new ATOM 339 N VAL A 23 -7.129 -5.591 -1.037 1.00 0.11 N ATOM 340 CA VAL A 23 -5.924 -5.354 -0.188 1.00 0.11 C ATOM 341 C VAL A 23 -5.012 -4.344 -0.881 1.00 0.11 C ATOM 342 O VAL A 23 -4.442 -4.626 -1.918 1.00 0.17 O ATOM 343 CB VAL A 23 -5.143 -6.657 -0.007 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.903 -6.379 0.844 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.012 -7.702 0.691 1.00 0.12 C ATOM 0 H VAL A 23 -6.957 -5.587 -2.042 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.247 -4.979 0.783 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.850 -7.039 -0.985 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.340 -7.302 0.979 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.276 -5.641 0.343 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.208 -5.995 1.817 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.444 -8.624 0.814 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.314 -7.329 1.670 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.899 -7.899 0.088 1.00 0.12 H new ATOM 355 N VAL A 24 -4.858 -3.169 -0.319 1.00 0.09 N ATOM 356 CA VAL A 24 -3.969 -2.142 -0.948 1.00 0.09 C ATOM 357 C VAL A 24 -2.633 -2.132 -0.195 1.00 0.09 C ATOM 358 O VAL A 24 -2.600 -2.305 1.007 1.00 0.10 O ATOM 359 CB VAL A 24 -4.639 -0.765 -0.855 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.815 0.270 -1.628 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.044 -0.850 -1.459 1.00 0.14 C ATOM 0 H VAL A 24 -5.309 -2.877 0.548 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.797 -2.378 -1.998 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.701 -0.463 0.190 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.297 1.245 -1.557 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.813 0.329 -1.203 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.748 -0.027 -2.675 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.527 0.125 -1.396 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.973 -1.154 -2.504 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.633 -1.582 -0.907 1.00 0.14 H new ATOM 371 N VAL A 25 -1.528 -1.956 -0.890 1.00 0.09 N ATOM 372 CA VAL A 25 -0.187 -1.960 -0.205 1.00 0.09 C ATOM 373 C VAL A 25 0.564 -0.671 -0.541 1.00 0.10 C ATOM 374 O VAL A 25 0.816 -0.371 -1.690 1.00 0.11 O ATOM 375 CB VAL A 25 0.622 -3.170 -0.693 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.923 -3.293 0.110 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.209 -4.443 -0.511 1.00 0.10 C ATOM 0 H VAL A 25 -1.496 -1.810 -1.899 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.326 -2.022 0.874 1.00 0.09 H new ATOM 0 HB VAL A 25 0.865 -3.035 -1.747 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.489 -4.154 -0.244 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.518 -2.389 -0.021 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.688 -3.423 1.166 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.363 -5.304 -0.857 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.454 -4.570 0.544 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.129 -4.363 -1.090 1.00 0.10 H new ATOM 387 N ASP A 26 0.934 0.091 0.460 1.00 0.11 N ATOM 388 CA ASP A 26 1.677 1.369 0.209 1.00 0.12 C ATOM 389 C ASP A 26 3.182 1.160 0.415 1.00 0.14 C ATOM 390 O ASP A 26 3.628 0.798 1.484 1.00 0.20 O ATOM 391 CB ASP A 26 1.188 2.450 1.175 1.00 0.14 C ATOM 392 CG ASP A 26 1.822 3.790 0.790 1.00 0.16 C ATOM 393 OD1 ASP A 26 2.599 3.808 -0.150 1.00 1.05 O ATOM 394 OD2 ASP A 26 1.523 4.776 1.446 1.00 1.04 O ATOM 0 H ASP A 26 0.754 -0.116 1.442 1.00 0.11 H new ATOM 0 HA ASP A 26 1.494 1.680 -0.819 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.101 2.524 1.138 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.455 2.188 2.199 1.00 0.14 H new ATOM 399 N PHE A 27 3.967 1.404 -0.598 1.00 0.13 N ATOM 400 CA PHE A 27 5.451 1.249 -0.480 1.00 0.13 C ATOM 401 C PHE A 27 6.081 2.603 -0.168 1.00 0.22 C ATOM 402 O PHE A 27 7.233 2.848 -0.469 1.00 0.73 O ATOM 403 CB PHE A 27 6.020 0.704 -1.793 1.00 0.11 C ATOM 404 CG PHE A 27 5.732 -0.772 -1.900 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.565 -1.689 -1.250 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.647 -1.229 -2.656 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.315 -3.061 -1.356 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.395 -2.601 -2.759 1.00 0.14 C ATOM 409 CZ PHE A 27 5.228 -3.517 -2.110 1.00 0.14 C ATOM 0 H PHE A 27 3.642 1.708 -1.516 1.00 0.13 H new ATOM 0 HA PHE A 27 5.679 0.550 0.325 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.579 1.232 -2.638 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.095 0.878 -1.834 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.402 -1.337 -0.666 1.00 0.11 H new ATOM 0 HD2 PHE A 27 4.004 -0.522 -3.160 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.961 -3.768 -0.856 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.556 -2.953 -3.341 1.00 0.14 H new ATOM 0 HZ PHE A 27 5.033 -4.576 -2.191 1.00 0.14 H new ATOM 419 N SER A 28 5.331 3.497 0.411 1.00 0.30 N ATOM 420 CA SER A 28 5.886 4.843 0.715 1.00 0.24 C ATOM 421 C SER A 28 7.090 4.728 1.629 1.00 0.24 C ATOM 422 O SER A 28 7.160 3.876 2.492 1.00 0.28 O ATOM 423 CB SER A 28 4.829 5.692 1.417 1.00 0.27 C ATOM 424 OG SER A 28 3.695 5.829 0.573 1.00 0.29 O ATOM 0 H SER A 28 4.359 3.354 0.686 1.00 0.30 H new ATOM 0 HA SER A 28 6.183 5.308 -0.225 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.540 5.226 2.359 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.237 6.674 1.658 1.00 0.27 H new ATOM 0 HG SER A 28 3.710 5.127 -0.111 1.00 0.29 H new ATOM 430 N ALA A 29 8.038 5.600 1.446 1.00 0.20 N ATOM 431 CA ALA A 29 9.250 5.580 2.294 1.00 0.21 C ATOM 432 C ALA A 29 8.970 6.389 3.551 1.00 0.22 C ATOM 433 O ALA A 29 8.625 7.552 3.490 1.00 0.22 O ATOM 434 CB ALA A 29 10.412 6.214 1.516 1.00 0.19 C ATOM 0 H ALA A 29 8.021 6.332 0.736 1.00 0.20 H new ATOM 0 HA ALA A 29 9.513 4.557 2.564 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.311 6.204 2.133 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.592 5.646 0.603 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.159 7.243 1.259 1.00 0.19 H new ATOM 440 N THR A 30 9.124 5.792 4.689 1.00 0.23 N ATOM 441 CA THR A 30 8.875 6.543 5.937 1.00 0.24 C ATOM 442 C THR A 30 9.961 7.610 6.068 1.00 0.22 C ATOM 443 O THR A 30 9.739 8.682 6.597 1.00 0.22 O ATOM 444 CB THR A 30 8.931 5.579 7.126 1.00 0.28 C ATOM 445 OG1 THR A 30 8.723 6.299 8.332 1.00 0.30 O ATOM 446 CG2 THR A 30 10.297 4.889 7.165 1.00 0.29 C ATOM 0 H THR A 30 9.410 4.820 4.809 1.00 0.23 H new ATOM 0 HA THR A 30 7.892 7.014 5.918 1.00 0.24 H new ATOM 0 HB THR A 30 8.151 4.825 7.018 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.757 5.681 9.092 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.334 4.204 8.012 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.450 4.332 6.241 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.081 5.639 7.271 1.00 0.29 H new ATOM 454 N TRP A 31 11.136 7.330 5.561 1.00 0.22 N ATOM 455 CA TRP A 31 12.243 8.332 5.635 1.00 0.21 C ATOM 456 C TRP A 31 11.973 9.505 4.686 1.00 0.19 C ATOM 457 O TRP A 31 12.437 10.607 4.907 1.00 0.22 O ATOM 458 CB TRP A 31 13.565 7.671 5.260 1.00 0.23 C ATOM 459 CG TRP A 31 13.522 7.208 3.842 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.273 5.940 3.455 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.714 7.978 2.621 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.344 5.869 2.075 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.600 7.104 1.515 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.982 9.335 2.369 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.748 7.560 0.205 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.128 9.798 1.052 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.011 8.912 -0.026 1.00 0.21 C ATOM 0 H TRP A 31 11.376 6.452 5.100 1.00 0.22 H new ATOM 0 HA TRP A 31 12.298 8.710 6.656 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.385 8.376 5.396 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.759 6.826 5.921 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.054 5.114 4.115 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.222 5.010 1.538 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.076 10.026 3.194 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.660 6.873 -0.624 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.332 10.843 0.869 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.124 9.275 -1.037 1.00 0.21 H new ATOM 478 N CYS A 32 11.226 9.291 3.632 1.00 0.18 N ATOM 479 CA CYS A 32 10.941 10.416 2.690 1.00 0.17 C ATOM 480 C CYS A 32 9.766 11.219 3.255 1.00 0.17 C ATOM 481 O CYS A 32 8.709 10.687 3.536 1.00 0.20 O ATOM 482 CB CYS A 32 10.600 9.849 1.296 1.00 0.18 C ATOM 483 SG CYS A 32 10.757 11.161 0.045 1.00 0.26 S ATOM 0 H CYS A 32 10.805 8.395 3.385 1.00 0.18 H new ATOM 0 HA CYS A 32 11.810 11.065 2.586 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.268 9.022 1.056 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.586 9.450 1.293 1.00 0.18 H new ATOM 488 N GLY A 33 9.961 12.498 3.456 1.00 0.20 N ATOM 489 CA GLY A 33 8.882 13.346 4.045 1.00 0.23 C ATOM 490 C GLY A 33 7.679 13.460 3.103 1.00 0.21 C ATOM 491 O GLY A 33 6.563 13.205 3.503 1.00 0.22 O ATOM 0 H GLY A 33 10.825 12.993 3.236 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.562 12.920 4.996 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.275 14.340 4.257 1.00 0.23 H new ATOM 495 N PRO A 34 7.881 13.850 1.869 1.00 0.21 N ATOM 496 CA PRO A 34 6.744 13.973 0.915 1.00 0.22 C ATOM 497 C PRO A 34 5.892 12.701 0.867 1.00 0.22 C ATOM 498 O PRO A 34 4.700 12.751 0.657 1.00 0.24 O ATOM 499 CB PRO A 34 7.474 14.213 -0.414 1.00 0.29 C ATOM 500 CG PRO A 34 8.888 14.708 -0.078 1.00 0.31 C ATOM 501 CD PRO A 34 9.226 14.210 1.337 1.00 0.24 C ATOM 0 HA PRO A 34 6.036 14.758 1.181 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.518 13.294 -0.999 1.00 0.29 H new ATOM 0 HB3 PRO A 34 6.942 14.950 -1.016 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.610 14.328 -0.801 1.00 0.31 H new ATOM 0 HG3 PRO A 34 8.934 15.796 -0.123 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.900 13.353 1.318 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.709 14.982 1.937 1.00 0.24 H new ATOM 509 N ALA A 35 6.499 11.565 1.065 1.00 0.21 N ATOM 510 CA ALA A 35 5.733 10.290 1.037 1.00 0.23 C ATOM 511 C ALA A 35 5.002 10.096 2.371 1.00 0.23 C ATOM 512 O ALA A 35 3.817 9.831 2.412 1.00 0.22 O ATOM 513 CB ALA A 35 6.708 9.134 0.794 1.00 0.24 C ATOM 0 H ALA A 35 7.498 11.465 1.246 1.00 0.21 H new ATOM 0 HA ALA A 35 4.993 10.317 0.237 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.158 8.193 0.771 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.216 9.281 -0.159 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.445 9.105 1.597 1.00 0.24 H new ATOM 519 N LYS A 36 5.707 10.221 3.463 1.00 0.25 N ATOM 520 CA LYS A 36 5.064 10.048 4.797 1.00 0.27 C ATOM 521 C LYS A 36 3.943 11.074 4.959 1.00 0.26 C ATOM 522 O LYS A 36 2.897 10.786 5.497 1.00 0.27 O ATOM 523 CB LYS A 36 6.095 10.244 5.905 1.00 0.33 C ATOM 524 CG LYS A 36 5.467 9.860 7.246 1.00 0.37 C ATOM 525 CD LYS A 36 6.446 10.163 8.377 1.00 0.44 C ATOM 526 CE LYS A 36 5.860 9.679 9.703 1.00 0.89 C ATOM 527 NZ LYS A 36 6.849 9.922 10.789 1.00 1.59 N ATOM 0 H LYS A 36 6.704 10.436 3.488 1.00 0.25 H new ATOM 0 HA LYS A 36 4.653 9.041 4.866 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.975 9.631 5.713 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.429 11.281 5.929 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.540 10.413 7.396 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.210 8.801 7.248 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.400 9.671 8.188 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.644 11.234 8.424 1.00 0.44 H new ATOM 0 HE2 LYS A 36 4.929 10.204 9.917 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.620 8.617 9.643 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.457 9.595 11.695 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.726 9.402 10.583 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 7.056 10.939 10.849 1.00 1.59 H new ATOM 541 N MET A 37 4.162 12.270 4.496 1.00 0.28 N ATOM 542 CA MET A 37 3.121 13.329 4.617 1.00 0.30 C ATOM 543 C MET A 37 1.832 12.862 3.939 1.00 0.25 C ATOM 544 O MET A 37 0.754 13.295 4.286 1.00 0.25 O ATOM 545 CB MET A 37 3.617 14.611 3.941 1.00 0.38 C ATOM 546 CG MET A 37 2.656 15.766 4.249 1.00 0.44 C ATOM 547 SD MET A 37 3.078 17.192 3.216 1.00 1.54 S ATOM 548 CE MET A 37 4.693 17.549 3.951 1.00 2.10 C ATOM 0 H MET A 37 5.023 12.563 4.035 1.00 0.28 H new ATOM 0 HA MET A 37 2.925 13.525 5.671 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.619 14.855 4.294 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.687 14.461 2.864 1.00 0.38 H new ATOM 0 HG2 MET A 37 1.628 15.458 4.060 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.720 16.035 5.303 1.00 0.44 H new ATOM 0 HE1 MET A 37 4.953 18.592 3.770 1.00 2.10 H new ATOM 0 HE2 MET A 37 4.652 17.367 5.025 1.00 2.10 H new ATOM 0 HE3 MET A 37 5.448 16.904 3.502 1.00 2.10 H new ATOM 558 N ILE A 38 1.943 12.007 2.955 1.00 0.23 N ATOM 559 CA ILE A 38 0.730 11.523 2.225 1.00 0.25 C ATOM 560 C ILE A 38 0.082 10.328 2.945 1.00 0.26 C ATOM 561 O ILE A 38 -0.937 9.826 2.517 1.00 0.31 O ATOM 562 CB ILE A 38 1.119 11.101 0.798 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.731 12.301 0.066 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.126 10.620 0.033 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.474 11.816 -1.177 1.00 0.49 C ATOM 0 H ILE A 38 2.827 11.620 2.623 1.00 0.23 H new ATOM 0 HA ILE A 38 0.009 12.340 2.193 1.00 0.25 H new ATOM 0 HB ILE A 38 1.843 10.288 0.849 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.949 13.005 -0.217 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.415 12.833 0.727 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.159 10.323 -0.976 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.565 9.768 0.551 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.856 11.428 -0.019 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.909 12.670 -1.697 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.267 11.128 -0.882 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.777 11.303 -1.840 1.00 0.49 H new ATOM 577 N LYS A 39 0.657 9.849 4.018 1.00 0.27 N ATOM 578 CA LYS A 39 0.038 8.677 4.711 1.00 0.34 C ATOM 579 C LYS A 39 -1.388 8.957 5.239 1.00 0.30 C ATOM 580 O LYS A 39 -2.158 8.033 5.363 1.00 0.33 O ATOM 581 CB LYS A 39 0.926 8.152 5.870 1.00 0.46 C ATOM 582 CG LYS A 39 0.803 9.007 7.158 1.00 0.50 C ATOM 583 CD LYS A 39 1.282 8.184 8.364 1.00 0.65 C ATOM 584 CE LYS A 39 0.240 7.101 8.741 1.00 0.80 C ATOM 585 NZ LYS A 39 0.890 5.759 8.686 1.00 0.75 N ATOM 0 H LYS A 39 1.513 10.210 4.439 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.041 7.908 3.943 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.649 7.122 6.096 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.967 8.139 5.547 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.399 9.915 7.063 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.231 9.318 7.304 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.236 7.711 8.131 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.452 8.843 9.215 1.00 0.65 H new ATOM 0 HE2 LYS A 39 -0.152 7.288 9.741 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.606 7.138 8.055 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.196 5.027 8.938 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.244 5.584 7.724 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.684 5.730 9.358 1.00 0.75 H new ATOM 599 N PRO A 40 -1.760 10.171 5.620 1.00 0.26 N ATOM 600 CA PRO A 40 -3.124 10.377 6.187 1.00 0.25 C ATOM 601 C PRO A 40 -4.253 9.980 5.231 1.00 0.20 C ATOM 602 O PRO A 40 -5.215 9.384 5.644 1.00 0.21 O ATOM 603 CB PRO A 40 -3.127 11.887 6.470 1.00 0.26 C ATOM 604 CG PRO A 40 -1.666 12.327 6.504 1.00 0.28 C ATOM 605 CD PRO A 40 -0.926 11.406 5.536 1.00 0.27 C ATOM 0 HA PRO A 40 -3.311 9.753 7.061 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.676 12.425 5.697 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.619 12.102 7.419 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.566 13.370 6.204 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.257 12.244 7.511 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.892 11.812 4.525 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.105 11.229 5.843 1.00 0.27 H new ATOM 613 N PHE A 41 -4.165 10.289 3.966 1.00 0.16 N ATOM 614 CA PHE A 41 -5.288 9.884 3.078 1.00 0.13 C ATOM 615 C PHE A 41 -5.280 8.359 2.982 1.00 0.13 C ATOM 616 O PHE A 41 -6.292 7.702 3.121 1.00 0.15 O ATOM 617 CB PHE A 41 -5.098 10.478 1.679 1.00 0.14 C ATOM 618 CG PHE A 41 -5.299 11.972 1.717 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.334 12.788 2.317 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.449 12.543 1.155 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.511 14.174 2.357 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.629 13.931 1.195 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.659 14.748 1.797 1.00 0.37 C ATOM 0 H PHE A 41 -3.393 10.786 3.522 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.233 10.245 3.484 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.098 10.247 1.310 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.806 10.026 0.985 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.449 12.346 2.751 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.195 11.914 0.692 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.763 14.801 2.819 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.514 14.373 0.763 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.798 15.819 1.828 1.00 0.37 H new ATOM 633 N PHE A 42 -4.127 7.788 2.787 1.00 0.12 N ATOM 634 CA PHE A 42 -4.026 6.310 2.712 1.00 0.13 C ATOM 635 C PHE A 42 -4.523 5.678 4.016 1.00 0.14 C ATOM 636 O PHE A 42 -5.387 4.828 4.024 1.00 0.16 O ATOM 637 CB PHE A 42 -2.557 5.945 2.473 1.00 0.13 C ATOM 638 CG PHE A 42 -2.397 4.447 2.492 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.784 3.686 1.383 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.884 3.817 3.634 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.659 2.289 1.417 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.755 2.424 3.666 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.144 1.659 2.558 1.00 0.13 C ATOM 0 H PHE A 42 -3.244 8.287 2.676 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.644 5.933 1.898 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.224 6.344 1.515 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.930 6.397 3.241 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.178 4.173 0.503 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.588 4.407 4.489 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.960 1.699 0.564 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.356 1.939 4.544 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.047 0.584 2.583 1.00 0.13 H new ATOM 653 N HIS A 43 -3.966 6.096 5.120 1.00 0.16 N ATOM 654 CA HIS A 43 -4.370 5.536 6.444 1.00 0.18 C ATOM 655 C HIS A 43 -5.806 5.957 6.802 1.00 0.16 C ATOM 656 O HIS A 43 -6.573 5.183 7.335 1.00 0.16 O ATOM 657 CB HIS A 43 -3.376 6.054 7.495 1.00 0.23 C ATOM 658 CG HIS A 43 -3.718 5.509 8.851 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.082 4.400 9.383 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.639 5.897 9.783 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.632 4.155 10.587 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.590 5.040 10.881 1.00 0.31 N ATOM 0 H HIS A 43 -3.239 6.810 5.163 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.353 4.447 6.411 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.362 5.760 7.223 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.396 7.144 7.518 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.305 6.741 9.684 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.336 3.344 11.235 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.161 5.079 11.725 1.00 0.31 H new ATOM 670 N SER A 44 -6.175 7.178 6.521 1.00 0.15 N ATOM 671 CA SER A 44 -7.558 7.647 6.852 1.00 0.15 C ATOM 672 C SER A 44 -8.608 6.814 6.105 1.00 0.13 C ATOM 673 O SER A 44 -9.662 6.509 6.628 1.00 0.15 O ATOM 674 CB SER A 44 -7.721 9.123 6.476 1.00 0.18 C ATOM 675 OG SER A 44 -6.809 9.905 7.237 1.00 0.22 O ATOM 0 H SER A 44 -5.579 7.875 6.075 1.00 0.15 H new ATOM 0 HA SER A 44 -7.708 7.526 7.925 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.536 9.261 5.411 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.744 9.448 6.667 1.00 0.18 H new ATOM 0 HG SER A 44 -5.892 9.701 6.958 1.00 0.22 H new ATOM 681 N LEU A 45 -8.340 6.469 4.875 1.00 0.12 N ATOM 682 CA LEU A 45 -9.326 5.683 4.077 1.00 0.14 C ATOM 683 C LEU A 45 -9.588 4.327 4.720 1.00 0.13 C ATOM 684 O LEU A 45 -10.600 3.704 4.471 1.00 0.15 O ATOM 685 CB LEU A 45 -8.783 5.465 2.668 1.00 0.16 C ATOM 686 CG LEU A 45 -8.829 6.778 1.867 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.870 6.676 0.677 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.251 7.036 1.344 1.00 0.22 C ATOM 0 H LEU A 45 -7.475 6.699 4.385 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.260 6.243 4.040 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.758 5.098 2.719 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.370 4.700 2.159 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.535 7.600 2.519 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.899 7.604 0.106 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.857 6.505 1.040 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.171 5.847 0.037 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.267 7.968 0.779 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.555 6.214 0.696 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.940 7.109 2.185 1.00 0.22 H new ATOM 700 N SER A 46 -8.688 3.842 5.522 1.00 0.12 N ATOM 701 CA SER A 46 -8.909 2.510 6.143 1.00 0.12 C ATOM 702 C SER A 46 -10.252 2.526 6.849 1.00 0.14 C ATOM 703 O SER A 46 -10.965 1.545 6.879 1.00 0.16 O ATOM 704 CB SER A 46 -7.822 2.235 7.173 1.00 0.13 C ATOM 705 OG SER A 46 -6.556 2.256 6.532 1.00 0.14 O ATOM 0 H SER A 46 -7.815 4.305 5.774 1.00 0.12 H new ATOM 0 HA SER A 46 -8.885 1.738 5.374 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.855 2.985 7.963 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.988 1.267 7.645 1.00 0.13 H new ATOM 0 HG SER A 46 -6.179 3.159 6.582 1.00 0.14 H new ATOM 711 N GLU A 47 -10.606 3.640 7.417 1.00 0.15 N ATOM 712 CA GLU A 47 -11.909 3.730 8.119 1.00 0.18 C ATOM 713 C GLU A 47 -12.985 4.143 7.117 1.00 0.18 C ATOM 714 O GLU A 47 -14.163 4.006 7.373 1.00 0.21 O ATOM 715 CB GLU A 47 -11.820 4.791 9.220 1.00 0.22 C ATOM 716 CG GLU A 47 -10.927 4.292 10.359 1.00 0.23 C ATOM 717 CD GLU A 47 -9.460 4.286 9.920 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.130 5.024 9.007 1.00 2.16 O ATOM 719 OE2 GLU A 47 -8.690 3.543 10.507 1.00 2.05 O ATOM 0 H GLU A 47 -10.048 4.494 7.425 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.158 2.764 8.559 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.418 5.718 8.811 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.816 5.016 9.600 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.050 4.931 11.233 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.230 3.287 10.654 1.00 0.23 H new ATOM 726 N LYS A 48 -12.601 4.626 5.961 1.00 0.17 N ATOM 727 CA LYS A 48 -13.638 5.002 4.963 1.00 0.19 C ATOM 728 C LYS A 48 -14.100 3.716 4.298 1.00 0.18 C ATOM 729 O LYS A 48 -15.262 3.532 3.998 1.00 0.21 O ATOM 730 CB LYS A 48 -13.069 5.955 3.911 1.00 0.20 C ATOM 731 CG LYS A 48 -14.215 6.427 3.012 1.00 0.30 C ATOM 732 CD LYS A 48 -13.665 7.321 1.906 1.00 0.82 C ATOM 733 CE LYS A 48 -14.824 7.927 1.113 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.305 9.023 0.248 1.00 1.78 N ATOM 0 H LYS A 48 -11.634 4.773 5.673 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.464 5.516 5.454 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.589 6.807 4.392 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.305 5.452 3.318 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.727 5.568 2.578 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.952 6.973 3.602 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.052 8.113 2.336 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -13.021 6.743 1.244 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.302 7.161 0.502 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.583 8.313 1.793 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -15.101 9.505 -0.216 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.779 9.705 0.830 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.672 8.625 -0.475 1.00 1.78 H new ATOM 748 N TYR A 49 -13.178 2.809 4.102 1.00 0.16 N ATOM 749 CA TYR A 49 -13.509 1.484 3.496 1.00 0.17 C ATOM 750 C TYR A 49 -13.019 0.409 4.461 1.00 0.16 C ATOM 751 O TYR A 49 -12.081 -0.312 4.187 1.00 0.16 O ATOM 752 CB TYR A 49 -12.791 1.333 2.150 1.00 0.17 C ATOM 753 CG TYR A 49 -13.299 2.377 1.185 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.596 2.271 0.669 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.483 3.450 0.808 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.075 3.235 -0.223 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.965 4.414 -0.085 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.260 4.308 -0.601 1.00 0.21 C ATOM 759 OH TYR A 49 -14.732 5.259 -1.483 1.00 0.25 O ATOM 0 H TYR A 49 -12.194 2.933 4.340 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.582 1.395 3.326 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.715 1.442 2.286 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.962 0.335 1.745 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.227 1.444 0.960 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.482 3.534 1.206 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.076 3.152 -0.621 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.335 5.242 -0.376 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.346 5.102 -2.370 1.00 0.25 H new ATOM 769 N SER A 50 -13.652 0.302 5.597 1.00 0.17 N ATOM 770 CA SER A 50 -13.234 -0.709 6.604 1.00 0.18 C ATOM 771 C SER A 50 -13.465 -2.107 6.037 1.00 0.19 C ATOM 772 O SER A 50 -13.048 -3.099 6.602 1.00 0.21 O ATOM 773 CB SER A 50 -14.056 -0.516 7.875 1.00 0.20 C ATOM 774 OG SER A 50 -15.398 -0.922 7.636 1.00 0.22 O ATOM 0 H SER A 50 -14.448 0.878 5.871 1.00 0.17 H new ATOM 0 HA SER A 50 -12.176 -0.590 6.839 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.628 -1.099 8.690 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.030 0.529 8.183 1.00 0.20 H new ATOM 0 HG SER A 50 -15.927 -0.800 8.452 1.00 0.22 H new ATOM 780 N ASN A 51 -14.116 -2.189 4.910 1.00 0.20 N ATOM 781 CA ASN A 51 -14.373 -3.515 4.282 1.00 0.23 C ATOM 782 C ASN A 51 -13.194 -3.848 3.370 1.00 0.19 C ATOM 783 O ASN A 51 -13.191 -4.841 2.668 1.00 0.22 O ATOM 784 CB ASN A 51 -15.666 -3.455 3.470 1.00 0.32 C ATOM 785 CG ASN A 51 -16.063 -4.866 3.031 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.458 -5.681 3.842 1.00 1.13 O ATOM 787 ND2 ASN A 51 -15.974 -5.190 1.770 1.00 0.27 N ATOM 0 H ASN A 51 -14.483 -1.389 4.394 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.479 -4.285 5.047 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.462 -3.012 4.068 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.530 -2.817 2.597 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.236 -6.127 1.465 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.643 -4.506 1.090 1.00 0.27 H new ATOM 794 N VAL A 52 -12.179 -3.020 3.407 1.00 0.21 N ATOM 795 CA VAL A 52 -10.954 -3.248 2.591 1.00 0.17 C ATOM 796 C VAL A 52 -9.757 -3.219 3.543 1.00 0.13 C ATOM 797 O VAL A 52 -9.762 -2.501 4.523 1.00 0.14 O ATOM 798 CB VAL A 52 -10.821 -2.142 1.532 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.413 -2.179 0.909 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.873 -2.368 0.437 1.00 0.24 C ATOM 0 H VAL A 52 -12.151 -2.178 3.982 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.004 -4.206 2.074 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.976 -1.170 2.000 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.326 -1.392 0.159 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.666 -2.022 1.688 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.249 -3.148 0.438 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.785 -1.587 -0.318 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.712 -3.341 -0.027 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.869 -2.336 0.878 1.00 0.24 H new ATOM 810 N ILE A 53 -8.744 -4.010 3.287 1.00 0.11 N ATOM 811 CA ILE A 53 -7.563 -4.034 4.215 1.00 0.09 C ATOM 812 C ILE A 53 -6.430 -3.176 3.625 1.00 0.09 C ATOM 813 O ILE A 53 -5.969 -3.420 2.528 1.00 0.12 O ATOM 814 CB ILE A 53 -7.071 -5.485 4.367 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.254 -6.413 4.705 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.015 -5.571 5.492 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.034 -5.867 5.908 1.00 0.15 C ATOM 0 H ILE A 53 -8.680 -4.636 2.484 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.854 -3.637 5.187 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.623 -5.801 3.425 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.915 -6.499 3.843 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.887 -7.415 4.926 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.673 -6.601 5.592 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.168 -4.930 5.246 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.458 -5.243 6.432 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.866 -6.533 6.135 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.373 -5.805 6.772 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.418 -4.874 5.673 1.00 0.15 H new ATOM 829 N PHE A 54 -5.975 -2.176 4.352 1.00 0.08 N ATOM 830 CA PHE A 54 -4.863 -1.297 3.843 1.00 0.09 C ATOM 831 C PHE A 54 -3.543 -1.682 4.537 1.00 0.09 C ATOM 832 O PHE A 54 -3.453 -1.689 5.749 1.00 0.12 O ATOM 833 CB PHE A 54 -5.171 0.172 4.170 1.00 0.10 C ATOM 834 CG PHE A 54 -6.356 0.670 3.368 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.650 0.245 3.694 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.166 1.582 2.315 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.750 0.726 2.971 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.268 2.057 1.590 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.558 1.630 1.920 1.00 0.10 C ATOM 0 H PHE A 54 -6.326 -1.930 5.278 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.775 -1.429 2.765 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.379 0.275 5.235 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.297 0.787 3.955 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.800 -0.454 4.503 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.170 1.917 2.064 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.747 0.399 3.225 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.121 2.752 0.777 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.407 1.998 1.363 1.00 0.10 H new ATOM 849 N LEU A 55 -2.512 -1.990 3.776 1.00 0.09 N ATOM 850 CA LEU A 55 -1.185 -2.368 4.383 1.00 0.11 C ATOM 851 C LEU A 55 -0.169 -1.260 4.122 1.00 0.10 C ATOM 852 O LEU A 55 -0.128 -0.681 3.059 1.00 0.10 O ATOM 853 CB LEU A 55 -0.631 -3.671 3.758 1.00 0.12 C ATOM 854 CG LEU A 55 -1.428 -4.907 4.216 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.916 -4.731 3.921 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.901 -6.157 3.488 1.00 0.22 C ATOM 0 H LEU A 55 -2.532 -1.996 2.756 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.342 -2.516 5.452 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.667 -3.597 2.671 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.416 -3.791 4.035 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.300 -5.025 5.292 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.460 -5.616 4.253 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.291 -3.855 4.450 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.061 -4.597 2.849 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.465 -7.032 3.812 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.018 -6.028 2.412 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.154 -6.298 3.724 1.00 0.22 H new ATOM 868 N GLU A 56 0.677 -0.994 5.085 1.00 0.12 N ATOM 869 CA GLU A 56 1.736 0.050 4.917 1.00 0.13 C ATOM 870 C GLU A 56 3.072 -0.684 4.823 1.00 0.13 C ATOM 871 O GLU A 56 3.339 -1.580 5.598 1.00 0.14 O ATOM 872 CB GLU A 56 1.739 0.985 6.132 1.00 0.15 C ATOM 873 CG GLU A 56 2.649 2.183 5.853 1.00 0.17 C ATOM 874 CD GLU A 56 2.768 3.046 7.114 1.00 0.20 C ATOM 875 OE1 GLU A 56 1.804 3.111 7.864 1.00 1.13 O ATOM 876 OE2 GLU A 56 3.818 3.636 7.305 1.00 1.05 O ATOM 0 H GLU A 56 0.680 -1.461 5.992 1.00 0.12 H new ATOM 0 HA GLU A 56 1.557 0.651 4.025 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.726 1.326 6.344 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.086 0.449 7.015 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.635 1.838 5.542 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.245 2.775 5.032 1.00 0.17 H new ATOM 883 N VAL A 57 3.899 -0.349 3.857 1.00 0.12 N ATOM 884 CA VAL A 57 5.205 -1.075 3.694 1.00 0.12 C ATOM 885 C VAL A 57 6.370 -0.083 3.570 1.00 0.11 C ATOM 886 O VAL A 57 6.307 0.885 2.839 1.00 0.13 O ATOM 887 CB VAL A 57 5.128 -1.933 2.432 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.403 -2.760 2.287 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.927 -2.867 2.544 1.00 0.14 C ATOM 0 H VAL A 57 3.728 0.392 3.177 1.00 0.12 H new ATOM 0 HA VAL A 57 5.381 -1.698 4.571 1.00 0.12 H new ATOM 0 HB VAL A 57 5.021 -1.290 1.559 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.341 -3.369 1.385 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.263 -2.094 2.216 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.517 -3.408 3.156 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.862 -3.485 1.648 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.044 -3.507 3.419 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.016 -2.277 2.645 1.00 0.14 H new ATOM 899 N ASP A 58 7.436 -0.333 4.284 1.00 0.10 N ATOM 900 CA ASP A 58 8.630 0.559 4.240 1.00 0.09 C ATOM 901 C ASP A 58 9.649 -0.005 3.255 1.00 0.09 C ATOM 902 O ASP A 58 10.137 -1.103 3.421 1.00 0.09 O ATOM 903 CB ASP A 58 9.256 0.591 5.628 1.00 0.10 C ATOM 904 CG ASP A 58 10.343 1.666 5.680 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.253 2.607 4.910 1.00 1.05 O ATOM 906 OD2 ASP A 58 11.246 1.531 6.491 1.00 1.02 O ATOM 0 H ASP A 58 7.530 -1.134 4.908 1.00 0.10 H new ATOM 0 HA ASP A 58 8.336 1.561 3.928 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.492 0.797 6.377 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.683 -0.383 5.867 1.00 0.10 H new ATOM 911 N VAL A 59 10.007 0.733 2.248 1.00 0.09 N ATOM 912 CA VAL A 59 11.013 0.201 1.295 1.00 0.10 C ATOM 913 C VAL A 59 12.352 0.099 2.014 1.00 0.11 C ATOM 914 O VAL A 59 13.248 -0.597 1.585 1.00 0.12 O ATOM 915 CB VAL A 59 11.149 1.143 0.097 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.833 1.169 -0.683 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.476 2.560 0.582 1.00 0.16 C ATOM 0 H VAL A 59 9.653 1.668 2.044 1.00 0.09 H new ATOM 0 HA VAL A 59 10.699 -0.780 0.937 1.00 0.10 H new ATOM 0 HB VAL A 59 11.953 0.787 -0.547 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.929 1.840 -1.537 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.599 0.164 -1.036 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.032 1.521 -0.033 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.571 3.225 -0.276 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.676 2.916 1.230 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.414 2.547 1.137 1.00 0.16 H new ATOM 927 N ASP A 60 12.500 0.809 3.102 1.00 0.10 N ATOM 928 CA ASP A 60 13.794 0.771 3.849 1.00 0.12 C ATOM 929 C ASP A 60 13.777 -0.303 4.948 1.00 0.13 C ATOM 930 O ASP A 60 14.732 -1.039 5.103 1.00 0.15 O ATOM 931 CB ASP A 60 14.040 2.150 4.467 1.00 0.14 C ATOM 932 CG ASP A 60 14.603 3.095 3.399 1.00 0.16 C ATOM 933 OD1 ASP A 60 14.510 2.756 2.229 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.136 4.128 3.766 1.00 1.07 O ATOM 0 H ASP A 60 11.783 1.412 3.505 1.00 0.10 H new ATOM 0 HA ASP A 60 14.596 0.517 3.156 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.110 2.551 4.869 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.738 2.068 5.300 1.00 0.14 H new ATOM 939 N ASP A 61 12.716 -0.422 5.705 1.00 0.13 N ATOM 940 CA ASP A 61 12.690 -1.470 6.780 1.00 0.15 C ATOM 941 C ASP A 61 12.042 -2.732 6.207 1.00 0.14 C ATOM 942 O ASP A 61 12.241 -3.828 6.696 1.00 0.19 O ATOM 943 CB ASP A 61 11.879 -0.971 7.983 1.00 0.16 C ATOM 944 CG ASP A 61 12.523 0.303 8.537 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.553 0.700 8.017 1.00 1.01 O ATOM 946 OD2 ASP A 61 11.971 0.862 9.472 1.00 1.07 O ATOM 0 H ASP A 61 11.875 0.151 5.631 1.00 0.13 H new ATOM 0 HA ASP A 61 13.705 -1.685 7.113 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.850 -0.771 7.684 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.843 -1.739 8.755 1.00 0.16 H new ATOM 951 N ALA A 62 11.269 -2.574 5.162 1.00 0.11 N ATOM 952 CA ALA A 62 10.593 -3.737 4.510 1.00 0.12 C ATOM 953 C ALA A 62 11.117 -3.845 3.076 1.00 0.11 C ATOM 954 O ALA A 62 10.384 -4.123 2.147 1.00 0.12 O ATOM 955 CB ALA A 62 9.073 -3.512 4.509 1.00 0.14 C ATOM 0 H ALA A 62 11.075 -1.673 4.726 1.00 0.11 H new ATOM 0 HA ALA A 62 10.803 -4.659 5.052 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.580 -4.360 4.034 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.719 -3.415 5.535 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.840 -2.601 3.957 1.00 0.14 H new ATOM 961 N GLN A 63 12.385 -3.599 2.901 1.00 0.11 N ATOM 962 CA GLN A 63 12.988 -3.650 1.540 1.00 0.12 C ATOM 963 C GLN A 63 12.811 -5.045 0.945 1.00 0.12 C ATOM 964 O GLN A 63 12.844 -5.223 -0.254 1.00 0.14 O ATOM 965 CB GLN A 63 14.482 -3.310 1.630 1.00 0.13 C ATOM 966 CG GLN A 63 15.236 -4.435 2.347 1.00 0.15 C ATOM 967 CD GLN A 63 16.660 -3.973 2.660 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.174 -4.237 3.727 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.322 -3.288 1.770 1.00 1.43 N ATOM 0 H GLN A 63 13.036 -3.362 3.650 1.00 0.11 H new ATOM 0 HA GLN A 63 12.489 -2.925 0.897 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.891 -3.167 0.630 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.618 -2.371 2.167 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.719 -4.705 3.268 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.261 -5.327 1.722 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.890 -3.066 0.873 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.272 -2.974 1.971 1.00 1.43 H new ATOM 978 N ASP A 64 12.617 -6.034 1.766 1.00 0.13 N ATOM 979 CA ASP A 64 12.429 -7.401 1.227 1.00 0.13 C ATOM 980 C ASP A 64 11.151 -7.434 0.396 1.00 0.15 C ATOM 981 O ASP A 64 11.091 -8.059 -0.644 1.00 0.16 O ATOM 982 CB ASP A 64 12.340 -8.402 2.382 1.00 0.17 C ATOM 983 CG ASP A 64 11.323 -7.920 3.413 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.175 -7.762 3.050 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.713 -7.728 4.552 1.00 1.02 O ATOM 0 H ASP A 64 12.581 -5.954 2.782 1.00 0.13 H new ATOM 0 HA ASP A 64 13.275 -7.673 0.596 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.050 -9.382 2.003 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.318 -8.518 2.850 1.00 0.17 H new ATOM 990 N VAL A 65 10.129 -6.755 0.839 1.00 0.17 N ATOM 991 CA VAL A 65 8.858 -6.747 0.066 1.00 0.22 C ATOM 992 C VAL A 65 9.021 -5.903 -1.196 1.00 0.22 C ATOM 993 O VAL A 65 8.568 -6.258 -2.266 1.00 0.26 O ATOM 994 CB VAL A 65 7.752 -6.100 0.906 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.401 -6.354 0.234 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.750 -6.676 2.325 1.00 0.32 C ATOM 0 H VAL A 65 10.120 -6.208 1.700 1.00 0.17 H new ATOM 0 HA VAL A 65 8.604 -7.776 -0.190 1.00 0.22 H new ATOM 0 HB VAL A 65 7.933 -5.027 0.974 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.608 -5.896 0.826 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.404 -5.919 -0.766 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.227 -7.428 0.162 1.00 0.35 H new ATOM 0 HG21 VAL A 65 6.958 -6.205 2.908 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.578 -7.751 2.281 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.713 -6.482 2.798 1.00 0.32 H new ATOM 1006 N ALA A 66 9.634 -4.762 -1.060 1.00 0.19 N ATOM 1007 CA ALA A 66 9.795 -3.856 -2.225 1.00 0.22 C ATOM 1008 C ALA A 66 10.784 -4.432 -3.238 1.00 0.23 C ATOM 1009 O ALA A 66 10.584 -4.334 -4.433 1.00 0.26 O ATOM 1010 CB ALA A 66 10.283 -2.490 -1.735 1.00 0.25 C ATOM 0 H ALA A 66 10.032 -4.418 -0.186 1.00 0.19 H new ATOM 0 HA ALA A 66 8.831 -3.749 -2.722 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.403 -1.820 -2.586 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.553 -2.070 -1.043 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.240 -2.606 -1.227 1.00 0.25 H new ATOM 1016 N SER A 67 11.854 -5.019 -2.785 1.00 0.21 N ATOM 1017 CA SER A 67 12.841 -5.577 -3.752 1.00 0.23 C ATOM 1018 C SER A 67 12.170 -6.687 -4.558 1.00 0.23 C ATOM 1019 O SER A 67 12.462 -6.896 -5.718 1.00 0.24 O ATOM 1020 CB SER A 67 14.032 -6.153 -2.992 1.00 0.23 C ATOM 1021 OG SER A 67 13.590 -7.246 -2.197 1.00 0.22 O ATOM 0 H SER A 67 12.088 -5.137 -1.799 1.00 0.21 H new ATOM 0 HA SER A 67 13.188 -4.789 -4.421 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.801 -6.483 -3.691 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.482 -5.387 -2.361 1.00 0.23 H new ATOM 0 HG SER A 67 13.156 -6.907 -1.387 1.00 0.22 H new ATOM 1027 N GLU A 68 11.261 -7.392 -3.945 1.00 0.23 N ATOM 1028 CA GLU A 68 10.549 -8.483 -4.659 1.00 0.25 C ATOM 1029 C GLU A 68 9.744 -7.877 -5.810 1.00 0.22 C ATOM 1030 O GLU A 68 9.675 -8.426 -6.893 1.00 0.24 O ATOM 1031 CB GLU A 68 9.612 -9.191 -3.677 1.00 0.29 C ATOM 1032 CG GLU A 68 8.956 -10.397 -4.357 1.00 0.32 C ATOM 1033 CD GLU A 68 7.926 -11.020 -3.416 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.038 -10.303 -2.981 1.00 1.96 O ATOM 1035 OE2 GLU A 68 8.040 -12.203 -3.148 1.00 2.06 O ATOM 0 H GLU A 68 10.980 -7.257 -2.974 1.00 0.23 H new ATOM 0 HA GLU A 68 11.261 -9.205 -5.058 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.170 -9.517 -2.799 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.846 -8.498 -3.328 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.475 -10.087 -5.285 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.714 -11.134 -4.622 1.00 0.32 H new ATOM 1042 N ALA A 69 9.137 -6.742 -5.577 1.00 0.20 N ATOM 1043 CA ALA A 69 8.334 -6.080 -6.647 1.00 0.20 C ATOM 1044 C ALA A 69 9.233 -5.167 -7.482 1.00 0.19 C ATOM 1045 O ALA A 69 8.778 -4.514 -8.399 1.00 0.20 O ATOM 1046 CB ALA A 69 7.222 -5.244 -6.009 1.00 0.23 C ATOM 0 H ALA A 69 9.163 -6.243 -4.688 1.00 0.20 H new ATOM 0 HA ALA A 69 7.898 -6.845 -7.289 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.636 -4.761 -6.791 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.574 -5.891 -5.417 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.663 -4.484 -5.364 1.00 0.23 H new ATOM 1052 N GLU A 70 10.501 -5.106 -7.169 1.00 0.18 N ATOM 1053 CA GLU A 70 11.421 -4.222 -7.947 1.00 0.18 C ATOM 1054 C GLU A 70 10.879 -2.803 -7.960 1.00 0.17 C ATOM 1055 O GLU A 70 10.762 -2.194 -9.003 1.00 0.18 O ATOM 1056 CB GLU A 70 11.545 -4.696 -9.399 1.00 0.22 C ATOM 1057 CG GLU A 70 12.101 -6.114 -9.449 1.00 0.24 C ATOM 1058 CD GLU A 70 13.535 -6.128 -8.911 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.125 -5.064 -8.812 1.00 2.02 O ATOM 1060 OE2 GLU A 70 14.021 -7.206 -8.609 1.00 2.02 O ATOM 0 H GLU A 70 10.939 -5.628 -6.410 1.00 0.18 H new ATOM 0 HA GLU A 70 12.400 -4.259 -7.469 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.569 -4.664 -9.883 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.198 -4.023 -9.954 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.474 -6.781 -8.857 1.00 0.24 H new ATOM 0 HG3 GLU A 70 12.084 -6.485 -10.474 1.00 0.24 H new ATOM 1067 N VAL A 71 10.534 -2.259 -6.833 1.00 0.15 N ATOM 1068 CA VAL A 71 9.985 -0.883 -6.860 1.00 0.14 C ATOM 1069 C VAL A 71 11.061 0.063 -7.378 1.00 0.14 C ATOM 1070 O VAL A 71 12.200 0.030 -6.952 1.00 0.16 O ATOM 1071 CB VAL A 71 9.561 -0.456 -5.461 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.829 0.884 -5.557 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.623 -1.513 -4.871 1.00 0.15 C ATOM 0 H VAL A 71 10.606 -2.695 -5.914 1.00 0.15 H new ATOM 0 HA VAL A 71 9.112 -0.853 -7.512 1.00 0.14 H new ATOM 0 HB VAL A 71 10.436 -0.354 -4.819 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.520 1.202 -4.561 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.495 1.633 -5.986 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.950 0.774 -6.192 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.318 -1.210 -3.869 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.742 -1.612 -5.505 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.141 -2.471 -4.818 1.00 0.15 H new ATOM 1083 N LYS A 72 10.701 0.888 -8.321 1.00 0.15 N ATOM 1084 CA LYS A 72 11.671 1.839 -8.920 1.00 0.16 C ATOM 1085 C LYS A 72 11.414 3.253 -8.397 1.00 0.15 C ATOM 1086 O LYS A 72 12.205 4.152 -8.607 1.00 0.16 O ATOM 1087 CB LYS A 72 11.508 1.802 -10.442 1.00 0.19 C ATOM 1088 CG LYS A 72 11.865 0.399 -10.977 1.00 0.23 C ATOM 1089 CD LYS A 72 13.384 0.167 -10.881 1.00 0.74 C ATOM 1090 CE LYS A 72 13.786 -0.986 -11.800 1.00 0.88 C ATOM 1091 NZ LYS A 72 13.025 -2.210 -11.420 1.00 1.60 N ATOM 0 H LYS A 72 9.758 0.942 -8.707 1.00 0.15 H new ATOM 0 HA LYS A 72 12.687 1.554 -8.648 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.482 2.053 -10.712 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.152 2.551 -10.903 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.336 -0.363 -10.404 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.539 0.302 -12.013 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.919 1.074 -11.163 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.663 -0.061 -9.852 1.00 0.74 H new ATOM 0 HE2 LYS A 72 13.583 -0.726 -12.839 1.00 0.88 H new ATOM 0 HE3 LYS A 72 14.857 -1.171 -11.722 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 13.663 -3.031 -11.427 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 12.626 -2.089 -10.467 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 12.254 -2.365 -12.101 1.00 1.60 H new ATOM 1105 N ALA A 73 10.320 3.469 -7.716 1.00 0.13 N ATOM 1106 CA ALA A 73 10.044 4.838 -7.191 1.00 0.13 C ATOM 1107 C ALA A 73 8.969 4.798 -6.091 1.00 0.11 C ATOM 1108 O ALA A 73 8.100 3.956 -6.086 1.00 0.12 O ATOM 1109 CB ALA A 73 9.583 5.731 -8.352 1.00 0.14 C ATOM 0 H ALA A 73 9.613 2.766 -7.502 1.00 0.13 H new ATOM 0 HA ALA A 73 10.955 5.243 -6.751 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.378 6.735 -7.980 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.366 5.777 -9.109 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.677 5.316 -8.793 1.00 0.14 H new ATOM 1115 N THR A 74 9.015 5.747 -5.182 1.00 0.11 N ATOM 1116 CA THR A 74 7.995 5.833 -4.085 1.00 0.11 C ATOM 1117 C THR A 74 7.379 7.243 -4.139 1.00 0.12 C ATOM 1118 O THR A 74 8.032 8.163 -4.573 1.00 0.15 O ATOM 1119 CB THR A 74 8.694 5.642 -2.722 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.499 6.775 -2.448 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.564 4.392 -2.750 1.00 0.14 C ATOM 0 H THR A 74 9.728 6.476 -5.154 1.00 0.11 H new ATOM 0 HA THR A 74 7.230 5.066 -4.207 1.00 0.11 H new ATOM 0 HB THR A 74 7.939 5.529 -1.944 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.944 6.659 -1.582 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.052 4.267 -1.784 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.943 3.521 -2.958 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.320 4.492 -3.528 1.00 0.14 H new ATOM 1129 N PRO A 75 6.162 7.443 -3.676 1.00 0.13 N ATOM 1130 CA PRO A 75 5.302 6.361 -3.128 1.00 0.10 C ATOM 1131 C PRO A 75 4.677 5.509 -4.233 1.00 0.09 C ATOM 1132 O PRO A 75 4.295 6.007 -5.273 1.00 0.10 O ATOM 1133 CB PRO A 75 4.235 7.162 -2.361 1.00 0.12 C ATOM 1134 CG PRO A 75 4.237 8.596 -2.920 1.00 0.15 C ATOM 1135 CD PRO A 75 5.557 8.806 -3.686 1.00 0.16 C ATOM 0 HA PRO A 75 5.845 5.644 -2.513 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.253 6.705 -2.482 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.454 7.167 -1.293 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.384 8.748 -3.581 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.146 9.321 -2.111 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.384 9.165 -4.701 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.198 9.537 -3.194 1.00 0.16 H new ATOM 1143 N THR A 76 4.539 4.233 -3.991 1.00 0.09 N ATOM 1144 CA THR A 76 3.903 3.328 -4.993 1.00 0.09 C ATOM 1145 C THR A 76 2.835 2.516 -4.287 1.00 0.10 C ATOM 1146 O THR A 76 3.045 1.998 -3.210 1.00 0.12 O ATOM 1147 CB THR A 76 4.935 2.386 -5.618 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.936 3.153 -6.261 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.246 1.483 -6.641 1.00 0.13 C ATOM 0 H THR A 76 4.843 3.774 -3.132 1.00 0.09 H new ATOM 0 HA THR A 76 3.468 3.926 -5.794 1.00 0.09 H new ATOM 0 HB THR A 76 5.389 1.771 -4.841 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.804 2.977 -5.841 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.980 0.812 -7.087 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.472 0.897 -6.146 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.794 2.096 -7.421 1.00 0.13 H new ATOM 1157 N PHE A 77 1.683 2.421 -4.879 1.00 0.10 N ATOM 1158 CA PHE A 77 0.568 1.657 -4.256 1.00 0.10 C ATOM 1159 C PHE A 77 0.295 0.419 -5.112 1.00 0.10 C ATOM 1160 O PHE A 77 0.187 0.510 -6.318 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.665 2.556 -4.221 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.336 3.815 -3.448 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.492 3.860 -2.054 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.121 4.949 -4.135 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.193 5.036 -1.353 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.421 6.123 -3.434 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.263 6.169 -2.043 1.00 0.19 C ATOM 0 H PHE A 77 1.461 2.845 -5.780 1.00 0.10 H new ATOM 0 HA PHE A 77 0.820 1.346 -3.242 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.976 2.807 -5.235 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.499 2.033 -3.752 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.843 2.988 -1.521 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.242 4.916 -5.208 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.314 5.070 -0.280 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.775 6.994 -3.966 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.492 7.076 -1.502 1.00 0.19 H new ATOM 1177 N GLN A 78 0.182 -0.740 -4.502 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.084 -1.991 -5.285 1.00 0.09 C ATOM 1179 C GLN A 78 -1.352 -2.643 -4.759 1.00 0.08 C ATOM 1180 O GLN A 78 -1.629 -2.620 -3.576 1.00 0.09 O ATOM 1181 CB GLN A 78 1.091 -2.959 -5.134 1.00 0.09 C ATOM 1182 CG GLN A 78 2.316 -2.411 -5.876 1.00 0.12 C ATOM 1183 CD GLN A 78 3.423 -3.468 -5.867 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.146 -4.650 -5.842 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.671 -3.091 -5.884 1.00 0.29 N ATOM 0 H GLN A 78 0.263 -0.873 -3.494 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.205 -1.743 -6.339 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.326 -3.098 -4.079 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.821 -3.937 -5.532 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.050 -2.154 -6.901 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.666 -1.496 -5.398 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.904 -2.098 -5.905 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.415 -3.789 -5.876 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.139 -3.210 -5.637 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.422 -3.853 -5.203 1.00 0.07 C ATOM 1196 C PHE A 79 -3.338 -5.371 -5.285 1.00 0.07 C ATOM 1197 O PHE A 79 -2.926 -5.935 -6.279 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.541 -3.352 -6.105 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.687 -1.873 -5.871 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.796 -0.982 -6.476 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.688 -1.395 -5.026 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.912 0.392 -6.237 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.802 -0.025 -4.781 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.916 0.869 -5.387 1.00 0.12 C ATOM 0 H PHE A 79 -1.951 -3.257 -6.638 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.617 -3.588 -4.164 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.309 -3.553 -7.151 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.474 -3.869 -5.881 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.019 -1.354 -7.127 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.376 -2.085 -4.560 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.228 1.083 -6.708 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.575 0.343 -4.123 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.006 1.929 -5.199 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.756 -6.029 -4.233 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.747 -7.521 -4.198 1.00 0.08 C ATOM 1216 C PHE A 80 -5.141 -8.023 -3.848 1.00 0.09 C ATOM 1217 O PHE A 80 -5.848 -7.418 -3.066 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.762 -8.014 -3.137 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.349 -7.755 -3.588 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.742 -6.515 -3.345 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.640 -8.769 -4.242 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.577 -6.293 -3.760 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.679 -8.545 -4.652 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.287 -7.308 -4.411 1.00 0.15 C ATOM 0 H PHE A 80 -4.108 -5.587 -3.384 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.446 -7.898 -5.175 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.950 -7.506 -2.191 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.907 -9.080 -2.961 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.290 -5.733 -2.839 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.110 -9.723 -4.430 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.047 -5.338 -3.577 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.228 -9.327 -5.155 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.305 -7.136 -4.728 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.542 -9.138 -4.398 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.887 -9.679 -4.060 1.00 0.12 C ATOM 1236 C LYS A 81 -6.791 -11.202 -4.121 1.00 0.11 C ATOM 1237 O LYS A 81 -6.245 -11.758 -5.051 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.917 -9.154 -5.067 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.325 -9.351 -4.495 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.399 -8.974 -5.541 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.651 -8.408 -4.845 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.520 -6.931 -4.726 1.00 1.68 N ATOM 0 H LYS A 81 -5.000 -9.692 -5.061 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.204 -9.365 -3.065 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.739 -8.098 -5.271 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.819 -9.683 -6.015 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.457 -10.389 -4.190 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.449 -8.738 -3.602 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.996 -8.236 -6.235 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.667 -9.852 -6.129 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -12.544 -8.661 -5.416 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.766 -8.855 -3.858 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -11.684 -6.646 -3.739 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -10.563 -6.643 -5.015 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.221 -6.470 -5.341 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.272 -11.875 -3.118 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.164 -13.364 -3.091 1.00 0.13 C ATOM 1258 C LYS A 82 -5.683 -13.722 -3.228 1.00 0.13 C ATOM 1259 O LYS A 82 -5.330 -14.782 -3.706 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.962 -14.007 -4.236 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.452 -13.709 -4.066 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.259 -14.579 -5.032 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.739 -14.210 -4.927 1.00 0.31 C ATOM 1264 NZ LYS A 82 -11.945 -12.842 -5.478 1.00 1.22 N ATOM 0 H LYS A 82 -7.738 -11.460 -2.311 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.577 -13.742 -2.156 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.613 -13.623 -5.194 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.797 -15.084 -4.245 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.759 -13.907 -3.039 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.647 -12.654 -4.260 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.907 -14.432 -6.053 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.117 -15.633 -4.795 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.345 -14.931 -5.476 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -12.062 -14.248 -3.887 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -12.940 -12.726 -5.756 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.703 -12.136 -4.754 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -11.336 -12.707 -6.310 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.812 -12.838 -2.809 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.353 -13.110 -2.905 1.00 0.16 C ATOM 1280 C GLY A 83 -2.868 -12.914 -4.345 1.00 0.16 C ATOM 1281 O GLY A 83 -1.802 -13.370 -4.708 1.00 0.23 O ATOM 0 H GLY A 83 -5.055 -11.935 -2.402 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.807 -12.444 -2.237 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.144 -14.129 -2.579 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.637 -12.231 -5.164 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.226 -11.996 -6.591 1.00 0.15 C ATOM 1287 C GLN A 84 -3.067 -10.496 -6.846 1.00 0.12 C ATOM 1288 O GLN A 84 -3.897 -9.711 -6.456 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.314 -12.520 -7.547 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.552 -14.023 -7.358 1.00 0.33 C ATOM 1291 CD GLN A 84 -3.303 -14.807 -7.749 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -2.273 -14.780 -6.961 1.00 0.95 O flip ATOM 1293 NE2 GLN A 84 -3.270 -15.451 -8.779 1.00 2.07 N flip ATOM 0 H GLN A 84 -4.536 -11.824 -4.905 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.284 -12.516 -6.765 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.244 -11.979 -7.373 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.019 -12.324 -8.578 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.810 -14.230 -6.319 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.397 -14.344 -7.967 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -4.082 -15.469 -9.395 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -2.430 -15.973 -9.027 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.026 -10.095 -7.536 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.841 -8.642 -7.838 1.00 0.12 C ATOM 1304 C LYS A 85 -2.746 -8.273 -9.012 1.00 0.14 C ATOM 1305 O LYS A 85 -2.673 -8.862 -10.073 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.378 -8.395 -8.207 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.149 -6.907 -8.446 1.00 0.20 C ATOM 1308 CD LYS A 85 1.306 -6.681 -8.848 1.00 0.28 C ATOM 1309 CE LYS A 85 1.535 -5.192 -9.068 1.00 1.28 C ATOM 1310 NZ LYS A 85 0.738 -4.747 -10.244 1.00 1.82 N ATOM 0 H LYS A 85 -1.299 -10.710 -7.902 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.099 -8.033 -6.972 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.273 -8.748 -7.407 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.119 -8.960 -9.102 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.815 -6.546 -9.229 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.381 -6.342 -7.544 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.973 -7.054 -8.071 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.535 -7.236 -9.758 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.242 -4.631 -8.181 1.00 1.28 H new ATOM 0 HE3 LYS A 85 2.594 -4.995 -9.235 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 1.325 -4.141 -10.852 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 0.422 -5.578 -10.784 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 -0.091 -4.210 -9.918 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.624 -7.317 -8.815 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.574 -6.912 -9.899 1.00 0.18 C ATOM 1326 C VAL A 86 -4.443 -5.417 -10.226 1.00 0.17 C ATOM 1327 O VAL A 86 -5.274 -4.862 -10.917 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.001 -7.192 -9.418 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.222 -8.705 -9.301 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.203 -6.546 -8.042 1.00 0.26 C ATOM 0 H VAL A 86 -3.723 -6.797 -7.943 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.343 -7.480 -10.800 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.712 -6.777 -10.133 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.238 -8.899 -8.959 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.072 -9.171 -10.275 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.513 -9.122 -8.586 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.217 -6.742 -7.694 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.489 -6.967 -7.334 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.047 -5.470 -8.119 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.427 -4.749 -9.747 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.310 -3.293 -10.072 1.00 0.17 C ATOM 1342 C GLY A 87 -2.052 -2.682 -9.442 1.00 0.12 C ATOM 1343 O GLY A 87 -1.534 -3.169 -8.457 1.00 0.17 O ATOM 0 H GLY A 87 -2.688 -5.135 -9.159 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.279 -3.161 -11.153 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.193 -2.765 -9.712 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.566 -1.609 -10.020 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.342 -0.942 -9.480 1.00 0.13 C ATOM 1349 C GLU A 88 -0.205 0.456 -10.100 1.00 0.11 C ATOM 1350 O GLU A 88 -0.552 0.676 -11.242 1.00 0.14 O ATOM 1351 CB GLU A 88 0.883 -1.832 -9.832 1.00 0.21 C ATOM 1352 CG GLU A 88 2.157 -1.016 -10.126 1.00 0.58 C ATOM 1353 CD GLU A 88 2.486 -0.095 -8.955 1.00 1.13 C ATOM 1354 OE1 GLU A 88 1.750 -0.111 -7.984 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.473 0.610 -9.053 1.00 1.93 O ATOM 0 H GLU A 88 -1.968 -1.166 -10.846 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.406 -0.824 -8.398 1.00 0.13 H new ATOM 0 HB2 GLU A 88 1.078 -2.515 -9.005 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.642 -2.445 -10.701 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.993 -1.691 -10.311 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.017 -0.426 -11.032 1.00 0.58 H new ATOM 1362 N PHE A 89 0.345 1.389 -9.363 1.00 0.10 N ATOM 1363 CA PHE A 89 0.564 2.756 -9.925 1.00 0.09 C ATOM 1364 C PHE A 89 1.491 3.555 -9.012 1.00 0.10 C ATOM 1365 O PHE A 89 1.648 3.247 -7.849 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.772 3.492 -10.112 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.316 4.041 -8.803 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.782 5.215 -8.254 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.384 3.399 -8.166 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.320 5.749 -7.073 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.916 3.924 -6.978 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.388 5.102 -6.432 1.00 0.14 C ATOM 0 H PHE A 89 0.651 1.263 -8.398 1.00 0.10 H new ATOM 0 HA PHE A 89 1.033 2.656 -10.904 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.637 4.311 -10.819 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.502 2.810 -10.549 1.00 0.11 H new ATOM 0 HD1 PHE A 89 0.045 5.710 -8.741 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.800 2.497 -8.590 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -0.912 6.658 -6.657 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.733 3.420 -6.484 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.801 5.510 -5.522 1.00 0.14 H new ATOM 1382 N SER A 90 2.114 4.582 -9.543 1.00 0.10 N ATOM 1383 CA SER A 90 3.043 5.428 -8.732 1.00 0.10 C ATOM 1384 C SER A 90 2.641 6.884 -8.858 1.00 0.09 C ATOM 1385 O SER A 90 1.935 7.267 -9.769 1.00 0.11 O ATOM 1386 CB SER A 90 4.472 5.286 -9.242 1.00 0.11 C ATOM 1387 OG SER A 90 4.524 5.708 -10.599 1.00 0.12 O ATOM 0 H SER A 90 2.015 4.872 -10.516 1.00 0.10 H new ATOM 0 HA SER A 90 2.988 5.102 -7.693 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.150 5.886 -8.635 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.801 4.250 -9.157 1.00 0.11 H new ATOM 0 HG SER A 90 5.441 5.621 -10.934 1.00 0.12 H new ATOM 1393 N GLY A 91 3.092 7.699 -7.946 1.00 0.09 N ATOM 1394 CA GLY A 91 2.759 9.151 -7.992 1.00 0.09 C ATOM 1395 C GLY A 91 2.057 9.539 -6.700 1.00 0.10 C ATOM 1396 O GLY A 91 1.267 8.790 -6.159 1.00 0.12 O ATOM 0 H GLY A 91 3.683 7.419 -7.163 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.666 9.741 -8.120 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.118 9.363 -8.847 1.00 0.09 H new ATOM 1400 N ALA A 92 2.345 10.699 -6.193 1.00 0.11 N ATOM 1401 CA ALA A 92 1.703 11.133 -4.928 1.00 0.14 C ATOM 1402 C ALA A 92 0.288 11.662 -5.209 1.00 0.13 C ATOM 1403 O ALA A 92 0.010 12.830 -5.023 1.00 0.17 O ATOM 1404 CB ALA A 92 2.566 12.238 -4.312 1.00 0.18 C ATOM 0 H ALA A 92 2.999 11.367 -6.601 1.00 0.11 H new ATOM 0 HA ALA A 92 1.621 10.292 -4.239 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.114 12.575 -3.379 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.565 11.851 -4.112 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.634 13.076 -5.006 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.615 10.799 -5.625 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.026 11.227 -5.886 1.00 0.14 C ATOM 1412 C ASN A 93 -2.952 10.419 -4.972 1.00 0.13 C ATOM 1413 O ASN A 93 -3.270 9.280 -5.240 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.395 10.977 -7.345 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.797 11.530 -7.591 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.778 10.938 -7.202 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -3.934 12.664 -8.208 1.00 0.75 N ATOM 0 H ASN A 93 -0.430 9.810 -5.795 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.131 12.293 -5.684 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.676 11.460 -8.006 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.364 9.910 -7.566 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -4.865 13.051 -8.363 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.111 13.168 -8.538 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.367 10.998 -3.882 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.250 10.270 -2.926 1.00 0.15 C ATOM 1426 C LYS A 94 -5.640 10.006 -3.524 1.00 0.15 C ATOM 1427 O LYS A 94 -6.260 9.004 -3.232 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.389 11.119 -1.658 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.828 12.566 -2.009 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.643 13.534 -1.903 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.165 14.957 -2.018 1.00 0.59 C ATOM 1432 NZ LYS A 94 -3.023 15.911 -1.947 1.00 1.06 N ATOM 0 H LYS A 94 -3.131 11.952 -3.609 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.801 9.302 -2.700 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.120 10.665 -0.989 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.439 11.142 -1.124 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.236 12.592 -3.019 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.624 12.883 -1.335 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.126 13.397 -0.953 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.918 13.332 -2.692 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.701 15.084 -2.958 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.874 15.162 -1.216 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.379 16.885 -2.026 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.530 15.795 -1.039 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.362 15.720 -2.727 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.137 10.874 -4.363 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.480 10.639 -4.962 1.00 0.15 C ATOM 1448 C GLU A 95 -7.430 9.407 -5.871 1.00 0.15 C ATOM 1449 O GLU A 95 -8.417 8.731 -6.080 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.903 11.864 -5.776 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.978 13.089 -4.860 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.147 12.925 -3.885 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.052 12.170 -4.200 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -9.119 13.559 -2.842 1.00 1.55 O ATOM 0 H GLU A 95 -5.672 11.733 -4.658 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.205 10.469 -4.166 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.190 12.042 -6.581 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.872 11.686 -6.242 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -7.044 13.203 -4.309 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.110 13.993 -5.454 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.286 9.128 -6.424 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.139 7.957 -7.336 1.00 0.15 C ATOM 1463 C LYS A 96 -6.468 6.689 -6.562 1.00 0.14 C ATOM 1464 O LYS A 96 -7.034 5.751 -7.086 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.691 7.919 -7.820 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.507 6.910 -8.961 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.223 7.255 -9.752 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.551 8.273 -10.856 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.327 8.572 -11.659 1.00 1.45 N ATOM 0 H LYS A 96 -5.432 9.668 -6.282 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.812 8.035 -8.190 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.393 8.911 -8.159 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.035 7.655 -6.990 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.439 5.899 -8.559 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.372 6.932 -9.624 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.469 7.664 -9.079 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.801 6.351 -10.191 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -4.333 7.878 -11.504 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -3.937 9.191 -10.412 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.559 9.261 -12.403 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -1.592 8.967 -11.038 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.976 7.696 -12.096 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.119 6.662 -5.310 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.413 5.469 -4.478 1.00 0.13 C ATOM 1485 C LEU A 97 -7.917 5.239 -4.458 1.00 0.14 C ATOM 1486 O LEU A 97 -8.399 4.126 -4.465 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.964 5.737 -3.038 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.438 5.720 -2.926 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.042 6.268 -1.550 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.909 4.281 -3.075 1.00 0.19 C ATOM 0 H LEU A 97 -5.640 7.420 -4.825 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.893 4.603 -4.888 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.345 6.703 -2.709 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.389 4.984 -2.375 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.008 6.335 -3.717 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.956 6.262 -1.455 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.410 7.289 -1.445 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.478 5.643 -0.770 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.822 4.283 -2.993 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.331 3.655 -2.289 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.199 3.886 -4.048 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.651 6.301 -4.394 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.135 6.181 -4.320 1.00 0.15 C ATOM 1504 C GLU A 98 -10.709 5.528 -5.579 1.00 0.16 C ATOM 1505 O GLU A 98 -11.591 4.695 -5.502 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.740 7.582 -4.149 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.253 7.482 -3.921 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.527 6.755 -2.604 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.584 7.419 -1.581 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -12.671 5.545 -2.644 1.00 2.10 O ATOM 0 H GLU A 98 -8.293 7.256 -4.389 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.388 5.548 -3.469 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.271 8.088 -3.305 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.537 8.184 -5.035 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.694 8.479 -3.896 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.721 6.947 -4.747 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.247 5.909 -6.733 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.813 5.315 -7.983 1.00 0.17 C ATOM 1519 C ALA A 99 -10.450 3.833 -8.118 1.00 0.16 C ATOM 1520 O ALA A 99 -11.269 3.020 -8.500 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.290 6.074 -9.203 1.00 0.19 C ATOM 0 H ALA A 99 -9.509 6.599 -6.870 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.898 5.399 -7.926 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.706 5.636 -10.110 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.588 7.120 -9.136 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.202 6.008 -9.234 1.00 0.19 H new ATOM 1527 N THR A 100 -9.230 3.471 -7.847 1.00 0.16 N ATOM 1528 CA THR A 100 -8.842 2.041 -8.008 1.00 0.16 C ATOM 1529 C THR A 100 -9.616 1.179 -7.006 1.00 0.15 C ATOM 1530 O THR A 100 -10.071 0.099 -7.325 1.00 0.15 O ATOM 1531 CB THR A 100 -7.340 1.882 -7.787 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.646 2.837 -8.578 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.912 0.478 -8.220 1.00 0.20 C ATOM 0 H THR A 100 -8.490 4.094 -7.524 1.00 0.16 H new ATOM 0 HA THR A 100 -9.085 1.715 -9.019 1.00 0.16 H new ATOM 0 HB THR A 100 -7.109 2.033 -6.733 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.681 2.739 -8.437 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.840 0.360 -8.064 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.449 -0.264 -7.629 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.143 0.337 -9.276 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.783 1.650 -5.801 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.547 0.858 -4.790 1.00 0.13 C ATOM 1543 C ILE A 101 -11.958 0.643 -5.323 1.00 0.14 C ATOM 1544 O ILE A 101 -12.465 -0.458 -5.353 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.599 1.639 -3.468 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.204 1.638 -2.812 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.616 0.996 -2.519 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.091 2.790 -1.806 1.00 0.16 C ATOM 0 H ILE A 101 -9.425 2.546 -5.471 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.066 -0.104 -4.612 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.903 2.666 -3.672 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -9.032 0.687 -2.308 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.434 1.737 -3.577 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.646 1.556 -1.584 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.603 1.008 -2.981 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.323 -0.034 -2.315 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.101 2.779 -1.349 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.242 3.739 -2.321 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.849 2.673 -1.032 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.587 1.696 -5.752 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.957 1.587 -6.315 1.00 0.20 C ATOM 1562 C ASN A 102 -13.914 0.656 -7.521 1.00 0.19 C ATOM 1563 O ASN A 102 -14.840 -0.075 -7.803 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.431 2.977 -6.748 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.853 2.895 -7.309 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.083 2.279 -8.331 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.819 3.505 -6.683 1.00 0.55 N ATOM 0 H ASN A 102 -12.205 2.642 -5.736 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.645 1.189 -5.569 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.405 3.660 -5.899 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.756 3.381 -7.503 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.770 3.466 -7.051 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.625 4.022 -5.825 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.839 0.707 -8.254 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.709 -0.143 -9.462 1.00 0.18 C ATOM 1576 C GLU A 103 -12.605 -1.621 -9.055 1.00 0.16 C ATOM 1577 O GLU A 103 -13.163 -2.487 -9.700 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.429 0.270 -10.199 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.405 -0.344 -11.604 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.164 -1.850 -11.508 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.130 -2.229 -10.986 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -12.015 -2.597 -11.961 1.00 2.21 O ATOM 0 H GLU A 103 -12.038 1.309 -8.063 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.581 -0.015 -10.103 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.375 1.356 -10.268 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.555 -0.057 -9.636 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.350 -0.149 -12.112 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.621 0.122 -12.201 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.883 -1.918 -7.996 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.724 -3.346 -7.558 1.00 0.14 C ATOM 1591 C LEU A 104 -12.668 -3.680 -6.390 1.00 0.13 C ATOM 1592 O LEU A 104 -12.679 -4.797 -5.910 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.277 -3.584 -7.102 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.293 -3.405 -8.268 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.866 -3.440 -7.715 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.472 -4.537 -9.299 1.00 0.25 C ATOM 0 H LEU A 104 -11.397 -1.233 -7.417 1.00 0.14 H new ATOM 0 HA LEU A 104 -11.971 -3.987 -8.405 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.026 -2.889 -6.300 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.182 -4.590 -6.693 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.485 -2.452 -8.761 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.156 -3.314 -8.532 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.736 -2.634 -6.993 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.689 -4.397 -7.225 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.768 -4.397 -10.119 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.284 -5.498 -8.820 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.490 -4.518 -9.687 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.449 -2.746 -5.914 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.361 -3.070 -4.771 1.00 0.15 C ATOM 1610 C VAL A 105 -15.404 -4.093 -5.231 1.00 0.16 C ATOM 1611 O VAL A 105 -15.700 -4.117 -6.413 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.075 -1.798 -4.276 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.158 -1.365 -5.282 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.726 -2.084 -2.918 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.887 -4.836 -4.390 1.00 1.08 O ATOM 0 H VAL A 105 -13.497 -1.787 -6.258 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.771 -3.483 -3.953 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.345 -0.994 -4.179 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.654 -0.465 -4.918 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.696 -1.160 -6.248 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.892 -2.163 -5.393 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.233 -1.187 -2.562 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.449 -2.892 -3.024 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.959 -2.376 -2.201 1.00 0.19 H new TER 1625 VAL A 105 ATOM 1626 N PRO B 59 14.998 18.106 -12.469 1.00 1.11 N ATOM 1627 CA PRO B 59 15.138 16.619 -12.536 1.00 1.14 C ATOM 1628 C PRO B 59 14.584 15.918 -11.290 1.00 1.00 C ATOM 1629 O PRO B 59 14.108 14.801 -11.357 1.00 1.04 O ATOM 1630 CB PRO B 59 16.658 16.403 -12.643 1.00 1.33 C ATOM 1631 CG PRO B 59 17.190 17.673 -13.226 1.00 1.46 C ATOM 1632 CD PRO B 59 16.279 18.790 -12.711 1.00 1.26 C ATOM 0 HA PRO B 59 14.575 16.199 -13.369 1.00 1.14 H new ATOM 0 HB2 PRO B 59 17.098 16.203 -11.666 1.00 1.33 H new ATOM 0 HB3 PRO B 59 16.891 15.549 -13.279 1.00 1.33 H new ATOM 0 HG2 PRO B 59 18.223 17.840 -12.920 1.00 1.46 H new ATOM 0 HG3 PRO B 59 17.183 17.635 -14.315 1.00 1.46 H new ATOM 0 HD2 PRO B 59 16.672 19.240 -11.799 1.00 1.26 H new ATOM 0 HD3 PRO B 59 16.174 19.591 -13.442 1.00 1.26 H new ATOM 1640 N ALA B 60 14.630 16.567 -10.158 1.00 0.88 N ATOM 1641 CA ALA B 60 14.103 15.940 -8.908 1.00 0.76 C ATOM 1642 C ALA B 60 12.668 16.416 -8.673 1.00 0.61 C ATOM 1643 O ALA B 60 12.399 17.600 -8.625 1.00 0.61 O ATOM 1644 CB ALA B 60 14.982 16.351 -7.724 1.00 0.78 C ATOM 0 H ALA B 60 15.010 17.506 -10.043 1.00 0.88 H new ATOM 0 HA ALA B 60 14.115 14.855 -9.006 1.00 0.76 H new ATOM 0 HB1 ALA B 60 14.599 15.895 -6.811 1.00 0.78 H new ATOM 0 HB2 ALA B 60 16.005 16.015 -7.896 1.00 0.78 H new ATOM 0 HB3 ALA B 60 14.969 17.436 -7.620 1.00 0.78 H new ATOM 1650 N THR B 61 11.742 15.495 -8.533 1.00 0.54 N ATOM 1651 CA THR B 61 10.306 15.869 -8.311 1.00 0.44 C ATOM 1652 C THR B 61 9.883 15.461 -6.894 1.00 0.34 C ATOM 1653 O THR B 61 10.110 14.346 -6.464 1.00 0.32 O ATOM 1654 CB THR B 61 9.442 15.139 -9.344 1.00 0.51 C ATOM 1655 OG1 THR B 61 9.964 15.380 -10.643 1.00 0.70 O ATOM 1656 CG2 THR B 61 8.004 15.653 -9.274 1.00 0.47 C ATOM 0 H THR B 61 11.921 14.491 -8.563 1.00 0.54 H new ATOM 0 HA THR B 61 10.179 16.946 -8.421 1.00 0.44 H new ATOM 0 HB THR B 61 9.452 14.070 -9.133 1.00 0.51 H new ATOM 0 HG1 THR B 61 9.415 14.913 -11.308 1.00 0.70 H new ATOM 0 HG21 THR B 61 7.394 15.130 -10.011 1.00 0.47 H new ATOM 0 HG22 THR B 61 7.602 15.473 -8.277 1.00 0.47 H new ATOM 0 HG23 THR B 61 7.989 16.722 -9.484 1.00 0.47 H new ATOM 1664 N LEU B 62 9.275 16.361 -6.165 1.00 0.34 N ATOM 1665 CA LEU B 62 8.835 16.039 -4.774 1.00 0.32 C ATOM 1666 C LEU B 62 7.705 14.997 -4.811 1.00 0.23 C ATOM 1667 O LEU B 62 7.526 14.227 -3.889 1.00 0.25 O ATOM 1668 CB LEU B 62 8.341 17.321 -4.079 1.00 0.40 C ATOM 1669 CG LEU B 62 9.526 18.265 -3.795 1.00 0.50 C ATOM 1670 CD1 LEU B 62 8.992 19.600 -3.259 1.00 0.61 C ATOM 1671 CD2 LEU B 62 10.482 17.635 -2.757 1.00 0.55 C ATOM 0 H LEU B 62 9.063 17.310 -6.475 1.00 0.34 H new ATOM 0 HA LEU B 62 9.677 15.629 -4.217 1.00 0.32 H new ATOM 0 HB2 LEU B 62 7.608 17.825 -4.709 1.00 0.40 H new ATOM 0 HB3 LEU B 62 7.838 17.067 -3.146 1.00 0.40 H new ATOM 0 HG LEU B 62 10.077 18.431 -4.721 1.00 0.50 H new ATOM 0 HD11 LEU B 62 9.827 20.271 -3.057 1.00 0.61 H new ATOM 0 HD12 LEU B 62 8.334 20.053 -4.001 1.00 0.61 H new ATOM 0 HD13 LEU B 62 8.435 19.426 -2.338 1.00 0.61 H new ATOM 0 HD21 LEU B 62 11.313 18.315 -2.568 1.00 0.55 H new ATOM 0 HD22 LEU B 62 9.942 17.455 -1.827 1.00 0.55 H new ATOM 0 HD23 LEU B 62 10.866 16.691 -3.142 1.00 0.55 H new ATOM 1683 N LYS B 63 6.931 14.976 -5.863 1.00 0.19 N ATOM 1684 CA LYS B 63 5.804 13.995 -5.955 1.00 0.14 C ATOM 1685 C LYS B 63 6.357 12.567 -5.860 1.00 0.12 C ATOM 1686 O LYS B 63 5.663 11.654 -5.446 1.00 0.12 O ATOM 1687 CB LYS B 63 5.086 14.169 -7.301 1.00 0.17 C ATOM 1688 CG LYS B 63 4.477 15.576 -7.406 1.00 0.20 C ATOM 1689 CD LYS B 63 3.396 15.787 -6.333 1.00 0.40 C ATOM 1690 CE LYS B 63 2.493 16.956 -6.742 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.461 17.182 -5.691 1.00 1.31 N ATOM 0 H LYS B 63 7.029 15.597 -6.666 1.00 0.19 H new ATOM 0 HA LYS B 63 5.104 14.171 -5.138 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.789 14.008 -8.119 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.302 13.418 -7.402 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.260 16.325 -7.291 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.044 15.716 -8.397 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.804 14.880 -6.215 1.00 0.40 H new ATOM 0 HD3 LYS B 63 3.861 15.992 -5.369 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.089 17.858 -6.880 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.013 16.741 -7.697 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 0.849 17.975 -5.970 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 0.885 16.323 -5.580 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 1.928 17.405 -4.789 1.00 1.31 H new ATOM 1705 N ILE B 64 7.595 12.373 -6.256 1.00 0.11 N ATOM 1706 CA ILE B 64 8.236 11.008 -6.199 1.00 0.11 C ATOM 1707 C ILE B 64 9.588 11.105 -5.476 1.00 0.10 C ATOM 1708 O ILE B 64 10.338 12.039 -5.687 1.00 0.11 O ATOM 1709 CB ILE B 64 8.511 10.491 -7.620 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.197 10.269 -8.377 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.291 9.173 -7.555 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.307 9.251 -7.645 1.00 0.15 C ATOM 0 H ILE B 64 8.199 13.109 -6.621 1.00 0.11 H new ATOM 0 HA ILE B 64 7.559 10.334 -5.674 1.00 0.11 H new ATOM 0 HB ILE B 64 9.101 11.239 -8.149 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.666 11.216 -8.478 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.409 9.914 -9.385 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.482 8.813 -8.566 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.239 9.336 -7.043 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.707 8.431 -7.010 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.381 9.111 -8.202 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.831 8.299 -7.567 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.077 9.621 -6.646 1.00 0.15 H new ATOM 1724 N CYS B 65 9.930 10.133 -4.663 1.00 0.09 N ATOM 1725 CA CYS B 65 11.263 10.155 -3.985 1.00 0.10 C ATOM 1726 C CYS B 65 12.192 9.245 -4.801 1.00 0.10 C ATOM 1727 O CYS B 65 11.856 8.113 -5.094 1.00 0.11 O ATOM 1728 CB CYS B 65 11.171 9.620 -2.545 1.00 0.10 C ATOM 1729 SG CYS B 65 9.847 10.452 -1.625 1.00 0.19 S ATOM 0 H CYS B 65 9.344 9.328 -4.441 1.00 0.09 H new ATOM 0 HA CYS B 65 11.634 11.179 -3.932 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.986 8.546 -2.564 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.123 9.771 -2.036 1.00 0.10 H new ATOM 1734 N SER B 66 13.339 9.726 -5.204 1.00 0.12 N ATOM 1735 CA SER B 66 14.252 8.879 -6.034 1.00 0.14 C ATOM 1736 C SER B 66 14.991 7.856 -5.158 1.00 0.14 C ATOM 1737 O SER B 66 15.443 8.161 -4.073 1.00 0.15 O ATOM 1738 CB SER B 66 15.279 9.777 -6.726 1.00 0.18 C ATOM 1739 OG SER B 66 14.607 10.676 -7.600 1.00 0.20 O ATOM 0 H SER B 66 13.683 10.663 -4.997 1.00 0.12 H new ATOM 0 HA SER B 66 13.656 8.344 -6.773 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.851 10.333 -5.983 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.990 9.170 -7.287 1.00 0.18 H new ATOM 0 HG SER B 66 15.263 11.253 -8.043 1.00 0.20 H new ATOM 1745 N TRP B 67 15.136 6.644 -5.636 1.00 0.15 N ATOM 1746 CA TRP B 67 15.860 5.604 -4.845 1.00 0.16 C ATOM 1747 C TRP B 67 17.362 5.888 -4.894 1.00 0.19 C ATOM 1748 O TRP B 67 18.138 5.307 -4.162 1.00 0.21 O ATOM 1749 CB TRP B 67 15.578 4.214 -5.430 1.00 0.16 C ATOM 1750 CG TRP B 67 14.160 3.841 -5.147 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.089 4.554 -5.532 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.645 2.686 -4.422 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.948 3.915 -5.095 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.242 2.764 -4.399 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.253 1.593 -3.789 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.470 1.799 -3.765 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.481 0.617 -3.154 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.091 0.722 -3.139 1.00 0.16 C ATOM 0 H TRP B 67 14.783 6.331 -6.541 1.00 0.15 H new ATOM 0 HA TRP B 67 15.516 5.630 -3.811 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.759 4.215 -6.505 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.254 3.479 -4.994 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.117 5.477 -6.092 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.001 4.254 -5.266 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.329 1.504 -3.792 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.393 1.884 -3.758 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.963 -0.222 -2.673 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.497 -0.031 -2.643 1.00 0.16 H new ATOM 1769 N ASN B 68 17.774 6.790 -5.746 1.00 0.23 N ATOM 1770 CA ASN B 68 19.226 7.122 -5.841 1.00 0.27 C ATOM 1771 C ASN B 68 19.759 7.437 -4.449 1.00 0.26 C ATOM 1772 O ASN B 68 20.952 7.533 -4.235 1.00 0.30 O ATOM 1773 CB ASN B 68 19.414 8.361 -6.722 1.00 0.34 C ATOM 1774 CG ASN B 68 19.097 8.015 -8.176 1.00 0.40 C ATOM 1775 OD1 ASN B 68 18.626 6.833 -8.464 1.00 0.49 O flip ATOM 1776 ND2 ASN B 68 19.279 8.830 -9.059 1.00 0.40 N flip ATOM 0 H ASN B 68 17.168 7.311 -6.380 1.00 0.23 H new ATOM 0 HA ASN B 68 19.760 6.275 -6.271 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.762 9.164 -6.379 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.438 8.725 -6.640 1.00 0.34 H new ATOM 0 HD21 ASN B 68 19.647 9.754 -8.832 1.00 0.40 H new ATOM 0 HD22 ASN B 68 19.063 8.590 -10.027 1.00 0.40 H new ATOM 1783 N VAL B 69 18.888 7.612 -3.500 1.00 0.26 N ATOM 1784 CA VAL B 69 19.350 7.934 -2.126 1.00 0.33 C ATOM 1785 C VAL B 69 20.257 6.817 -1.597 1.00 0.41 C ATOM 1786 O VAL B 69 19.987 5.644 -1.760 1.00 0.49 O ATOM 1787 CB VAL B 69 18.130 8.101 -1.215 1.00 0.45 C ATOM 1788 CG1 VAL B 69 17.428 9.413 -1.568 1.00 0.99 C ATOM 1789 CG2 VAL B 69 17.157 6.930 -1.434 1.00 1.04 C ATOM 0 H VAL B 69 17.877 7.546 -3.616 1.00 0.26 H new ATOM 0 HA VAL B 69 19.922 8.862 -2.142 1.00 0.33 H new ATOM 0 HB VAL B 69 18.448 8.114 -0.172 1.00 0.45 H new ATOM 0 HG11 VAL B 69 16.557 9.544 -0.926 1.00 0.99 H new ATOM 0 HG12 VAL B 69 18.116 10.245 -1.420 1.00 0.99 H new ATOM 0 HG13 VAL B 69 17.110 9.386 -2.610 1.00 0.99 H new ATOM 0 HG21 VAL B 69 16.290 7.051 -0.785 1.00 1.04 H new ATOM 0 HG22 VAL B 69 16.832 6.917 -2.474 1.00 1.04 H new ATOM 0 HG23 VAL B 69 17.658 5.991 -1.198 1.00 1.04 H new ATOM 1799 N ASP B 70 21.344 7.182 -0.969 1.00 0.49 N ATOM 1800 CA ASP B 70 22.277 6.152 -0.427 1.00 0.64 C ATOM 1801 C ASP B 70 21.535 5.280 0.588 1.00 0.76 C ATOM 1802 O ASP B 70 21.722 4.081 0.646 1.00 0.90 O ATOM 1803 CB ASP B 70 23.458 6.838 0.271 1.00 0.74 C ATOM 1804 CG ASP B 70 24.388 7.472 -0.772 1.00 0.77 C ATOM 1805 OD1 ASP B 70 24.949 6.731 -1.564 1.00 1.36 O ATOM 1806 OD2 ASP B 70 24.528 8.684 -0.756 1.00 1.32 O ATOM 0 H ASP B 70 21.625 8.149 -0.808 1.00 0.49 H new ATOM 0 HA ASP B 70 22.646 5.536 -1.247 1.00 0.64 H new ATOM 0 HB2 ASP B 70 23.092 7.602 0.956 1.00 0.74 H new ATOM 0 HB3 ASP B 70 24.009 6.112 0.869 1.00 0.74 H new ATOM 1811 N GLY B 71 20.704 5.876 1.399 1.00 0.77 N ATOM 1812 CA GLY B 71 19.955 5.084 2.414 1.00 0.96 C ATOM 1813 C GLY B 71 18.854 5.951 3.028 1.00 1.62 C ATOM 1814 O GLY B 71 18.881 6.145 4.233 1.00 2.29 O ATOM 1815 OXT GLY B 71 18.002 6.409 2.283 1.00 2.32 O ATOM 0 H GLY B 71 20.512 6.878 1.402 1.00 0.77 H new ATOM 0 HA2 GLY B 71 19.519 4.199 1.951 1.00 0.96 H new ATOM 0 HA3 GLY B 71 20.634 4.735 3.192 1.00 0.96 H new TER 1819 GLY B 71