USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 LYS NZ :NH3+ 135:sc= -0.795 (180deg=-0.0397) USER MOD Set 1.2: A 12 GLN : amide:sc= -0.869 K(o=-1.7,f=-0.92!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.481 (180deg=0.0701!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -2.64! X(o=-2.6!,f=-2.7) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= -0.0366 (180deg=-0.298) USER MOD Single : A 28 SER OG : rot 146:sc=0.000735 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 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= -0.809 (180deg=-2.3!) USER MOD Single : A 43 HIS : no HD1:sc= -0.555 X(o=-0.56,f=-0.089) USER MOD Single : A 44 SER OG : rot -72:sc= 0.977 USER MOD Single : A 46 SER OG : rot 95:sc= -1.49! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.313 K(o=-0.31,f=-2.2!) USER MOD Single : A 63 GLN : amide:sc= -3.62 K(o=-3.6,f=-4.2) USER MOD Single : A 67 SER OG : rot 109:sc= 0.0461 USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0295) USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 76 THR OG1 : rot -48:sc= -1.03! USER MOD Single : A 78 GLN : amide:sc= -3.52! C(o=-3.5!,f=-5.4!) USER MOD Single : A 81 LYS NZ :NH3+ -128:sc= 0.0557 (180deg=-0.0954) USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= 0.146 (180deg=-0.475) USER MOD Single : A 84 GLN : amide:sc= -0.343 X(o=-0.34,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -144:sc= 0.142 (180deg=0) USER MOD Single : A 90 SER OG : rot 97:sc= 1.2 USER MOD Single : A 93 ASN : amide:sc= -1.14 K(o=-1.1,f=-6.4!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -157:sc= -0.0331 (180deg=-0.325) USER MOD Single : A 100 THR OG1 : rot 72:sc= -0.391 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ -153:sc= 0.242 (180deg=0.0267) USER MOD Single : B 5 TYR OH : rot -162:sc= -2.9 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.655 -2.306 8.291 1.00 0.73 N ATOM 2 CA MET A 1 -6.470 -2.338 9.193 1.00 0.31 C ATOM 3 C MET A 1 -5.191 -2.232 8.359 1.00 0.24 C ATOM 4 O MET A 1 -5.179 -2.529 7.180 1.00 0.21 O ATOM 5 CB MET A 1 -6.461 -3.653 9.977 1.00 0.70 C ATOM 6 CG MET A 1 -7.553 -3.620 11.048 1.00 1.55 C ATOM 7 SD MET A 1 -9.176 -3.562 10.249 1.00 2.25 S ATOM 8 CE MET A 1 -10.126 -3.064 11.705 1.00 2.89 C ATOM 0 H1 MET A 1 -8.496 -2.628 8.811 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.808 -1.334 7.953 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.490 -2.933 7.478 1.00 0.73 H new ATOM 0 HA MET A 1 -6.520 -1.501 9.889 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.626 -4.492 9.301 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.487 -3.804 10.441 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.480 -4.502 11.685 1.00 1.55 H new ATOM 0 HG3 MET A 1 -7.421 -2.750 11.691 1.00 1.55 H new ATOM 0 HE1 MET A 1 -11.178 -2.966 11.437 1.00 2.89 H new ATOM 0 HE2 MET A 1 -10.019 -3.818 12.485 1.00 2.89 H new ATOM 0 HE3 MET A 1 -9.755 -2.107 12.072 1.00 2.89 H new ATOM 20 N VAL A 2 -4.111 -1.811 8.963 1.00 0.24 N ATOM 21 CA VAL A 2 -2.823 -1.684 8.215 1.00 0.19 C ATOM 22 C VAL A 2 -2.005 -2.966 8.403 1.00 0.22 C ATOM 23 O VAL A 2 -2.280 -3.764 9.277 1.00 0.28 O ATOM 24 CB VAL A 2 -2.031 -0.492 8.763 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.681 -0.393 8.044 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.824 0.797 8.534 1.00 0.30 C ATOM 0 H VAL A 2 -4.064 -1.548 9.947 1.00 0.24 H new ATOM 0 HA VAL A 2 -3.027 -1.529 7.156 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.862 -0.633 9.831 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.121 0.456 8.437 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.114 -1.309 8.208 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.847 -0.255 6.976 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.261 1.645 8.924 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.994 0.935 7.466 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.783 0.731 9.049 1.00 0.30 H new ATOM 36 N LYS A 3 -0.999 -3.170 7.592 1.00 0.18 N ATOM 37 CA LYS A 3 -0.162 -4.400 7.729 1.00 0.22 C ATOM 38 C LYS A 3 1.230 -4.138 7.155 1.00 0.16 C ATOM 39 O LYS A 3 1.385 -3.801 5.998 1.00 0.13 O ATOM 40 CB LYS A 3 -0.818 -5.562 6.973 1.00 0.26 C ATOM 41 CG LYS A 3 -0.213 -6.889 7.440 1.00 0.34 C ATOM 42 CD LYS A 3 -0.866 -8.043 6.668 1.00 0.81 C ATOM 43 CE LYS A 3 -0.211 -9.385 7.043 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.988 -10.026 8.141 1.00 1.97 N ATOM 0 H LYS A 3 -0.721 -2.538 6.841 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.077 -4.660 8.784 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.894 -5.561 7.147 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.669 -5.441 5.900 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.864 -6.889 7.274 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.371 -7.017 8.511 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.933 -8.078 6.890 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.769 -7.872 5.596 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.179 -10.042 6.174 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.820 -9.223 7.358 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.547 -10.933 8.395 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -0.996 -9.400 8.972 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.964 -10.193 7.824 1.00 1.97 H new ATOM 58 N GLN A 4 2.246 -4.286 7.958 1.00 0.18 N ATOM 59 CA GLN A 4 3.634 -4.042 7.471 1.00 0.15 C ATOM 60 C GLN A 4 4.214 -5.340 6.903 1.00 0.13 C ATOM 61 O GLN A 4 4.092 -6.400 7.482 1.00 0.14 O ATOM 62 CB GLN A 4 4.494 -3.553 8.647 1.00 0.20 C ATOM 63 CG GLN A 4 5.989 -3.687 8.318 1.00 0.21 C ATOM 64 CD GLN A 4 6.810 -2.856 9.307 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.388 -2.627 10.422 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.976 -2.396 8.943 1.00 0.98 N ATOM 0 H GLN A 4 2.175 -4.567 8.936 1.00 0.18 H new ATOM 0 HA GLN A 4 3.626 -3.286 6.685 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.257 -2.513 8.869 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.260 -4.131 9.541 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.290 -4.733 8.369 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.179 -3.350 7.299 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.330 -2.589 8.006 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.533 -1.844 9.595 1.00 0.98 H new ATOM 75 N ILE A 5 4.869 -5.243 5.780 1.00 0.10 N ATOM 76 CA ILE A 5 5.504 -6.435 5.148 1.00 0.10 C ATOM 77 C ILE A 5 7.015 -6.309 5.338 1.00 0.10 C ATOM 78 O ILE A 5 7.638 -5.420 4.792 1.00 0.11 O ATOM 79 CB ILE A 5 5.201 -6.440 3.648 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.706 -6.142 3.373 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.616 -7.778 3.033 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.765 -7.130 4.086 1.00 0.19 C ATOM 0 H ILE A 5 4.994 -4.372 5.264 1.00 0.10 H new ATOM 0 HA ILE A 5 5.123 -7.352 5.599 1.00 0.10 H new ATOM 0 HB ILE A 5 5.781 -5.645 3.179 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.476 -5.127 3.698 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.523 -6.182 2.299 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.396 -7.771 1.965 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.685 -7.931 3.183 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.063 -8.586 3.512 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.730 -6.875 3.859 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.973 -8.143 3.742 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.925 -7.072 5.163 1.00 0.19 H new ATOM 94 N GLU A 6 7.612 -7.173 6.112 1.00 0.11 N ATOM 95 CA GLU A 6 9.085 -7.082 6.341 1.00 0.14 C ATOM 96 C GLU A 6 9.791 -8.098 5.441 1.00 0.14 C ATOM 97 O GLU A 6 10.992 -8.056 5.263 1.00 0.17 O ATOM 98 CB GLU A 6 9.394 -7.406 7.807 1.00 0.18 C ATOM 99 CG GLU A 6 8.448 -6.642 8.741 1.00 0.31 C ATOM 100 CD GLU A 6 8.825 -5.158 8.751 1.00 1.20 C ATOM 101 OE1 GLU A 6 8.646 -4.514 7.731 1.00 1.96 O ATOM 102 OE2 GLU A 6 9.284 -4.692 9.781 1.00 1.97 O ATOM 0 H GLU A 6 7.145 -7.939 6.597 1.00 0.11 H new ATOM 0 HA GLU A 6 9.433 -6.075 6.110 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.294 -8.478 7.977 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.427 -7.143 8.033 1.00 0.18 H new ATOM 0 HG2 GLU A 6 7.417 -6.763 8.410 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.509 -7.050 9.750 1.00 0.31 H new ATOM 109 N SER A 7 9.052 -9.013 4.868 1.00 0.13 N ATOM 110 CA SER A 7 9.678 -10.031 3.976 1.00 0.15 C ATOM 111 C SER A 7 8.643 -10.535 2.969 1.00 0.14 C ATOM 112 O SER A 7 7.451 -10.423 3.177 1.00 0.12 O ATOM 113 CB SER A 7 10.193 -11.197 4.819 1.00 0.20 C ATOM 114 OG SER A 7 9.236 -11.516 5.820 1.00 0.23 O ATOM 0 H SER A 7 8.042 -9.098 4.980 1.00 0.13 H new ATOM 0 HA SER A 7 10.512 -9.581 3.437 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.376 -12.065 4.186 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.144 -10.934 5.281 1.00 0.20 H new ATOM 0 HG SER A 7 9.565 -12.265 6.360 1.00 0.23 H new ATOM 120 N LYS A 8 9.093 -11.084 1.877 1.00 0.15 N ATOM 121 CA LYS A 8 8.146 -11.593 0.848 1.00 0.14 C ATOM 122 C LYS A 8 7.127 -12.539 1.494 1.00 0.14 C ATOM 123 O LYS A 8 6.051 -12.754 0.975 1.00 0.13 O ATOM 124 CB LYS A 8 8.938 -12.349 -0.227 1.00 0.17 C ATOM 125 CG LYS A 8 8.082 -12.517 -1.486 1.00 0.21 C ATOM 126 CD LYS A 8 8.938 -13.113 -2.608 1.00 0.22 C ATOM 127 CE LYS A 8 8.039 -13.568 -3.762 1.00 1.06 C ATOM 128 NZ LYS A 8 7.426 -14.884 -3.426 1.00 1.90 N ATOM 0 H LYS A 8 10.081 -11.203 1.652 1.00 0.15 H new ATOM 0 HA LYS A 8 7.614 -10.755 0.398 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.851 -11.805 -0.468 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.239 -13.326 0.151 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.232 -13.167 -1.277 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.677 -11.553 -1.795 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.654 -12.372 -2.963 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.514 -13.957 -2.229 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.260 -12.828 -3.944 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.621 -13.650 -4.680 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.414 -14.867 -3.666 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 7.898 -15.635 -3.969 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 7.538 -15.069 -2.409 1.00 1.90 H new ATOM 142 N THR A 9 7.463 -13.113 2.616 1.00 0.16 N ATOM 143 CA THR A 9 6.524 -14.056 3.289 1.00 0.18 C ATOM 144 C THR A 9 5.219 -13.346 3.661 1.00 0.16 C ATOM 145 O THR A 9 4.139 -13.815 3.361 1.00 0.17 O ATOM 146 CB THR A 9 7.178 -14.599 4.554 1.00 0.21 C ATOM 147 OG1 THR A 9 8.459 -15.125 4.236 1.00 0.24 O ATOM 148 CG2 THR A 9 6.303 -15.702 5.152 1.00 0.25 C ATOM 0 H THR A 9 8.350 -12.969 3.098 1.00 0.16 H new ATOM 0 HA THR A 9 6.296 -14.872 2.603 1.00 0.18 H new ATOM 0 HB THR A 9 7.287 -13.794 5.280 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.881 -15.473 5.049 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.773 -16.089 6.056 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.322 -15.295 5.398 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.190 -16.509 4.428 1.00 0.25 H new ATOM 156 N ALA A 10 5.308 -12.229 4.326 1.00 0.16 N ATOM 157 CA ALA A 10 4.073 -11.500 4.735 1.00 0.17 C ATOM 158 C ALA A 10 3.362 -10.938 3.499 1.00 0.15 C ATOM 159 O ALA A 10 2.177 -10.678 3.526 1.00 0.17 O ATOM 160 CB ALA A 10 4.451 -10.359 5.689 1.00 0.20 C ATOM 0 H ALA A 10 6.184 -11.787 4.605 1.00 0.16 H new ATOM 0 HA ALA A 10 3.397 -12.188 5.243 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.551 -9.823 5.990 1.00 0.20 H new ATOM 0 HB2 ALA A 10 4.941 -10.770 6.571 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.130 -9.672 5.184 1.00 0.20 H new ATOM 166 N PHE A 11 4.065 -10.750 2.416 1.00 0.12 N ATOM 167 CA PHE A 11 3.402 -10.204 1.199 1.00 0.11 C ATOM 168 C PHE A 11 2.265 -11.131 0.769 1.00 0.13 C ATOM 169 O PHE A 11 1.112 -10.756 0.778 1.00 0.16 O ATOM 170 CB PHE A 11 4.419 -10.084 0.058 1.00 0.10 C ATOM 171 CG PHE A 11 3.728 -9.571 -1.189 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.257 -8.244 -1.236 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.564 -10.415 -2.307 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.622 -7.763 -2.397 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.927 -9.932 -3.467 1.00 0.18 C ATOM 176 CZ PHE A 11 2.457 -8.605 -3.511 1.00 0.21 C ATOM 0 H PHE A 11 5.061 -10.949 2.321 1.00 0.12 H new ATOM 0 HA PHE A 11 3.000 -9.217 1.429 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.223 -9.407 0.345 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.874 -11.054 -0.140 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.383 -7.596 -0.381 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.927 -11.432 -2.274 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.261 -6.746 -2.432 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.799 -10.579 -4.322 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.970 -8.234 -4.401 1.00 0.21 H new ATOM 186 N GLN A 12 2.581 -12.337 0.385 1.00 0.15 N ATOM 187 CA GLN A 12 1.517 -13.282 -0.057 1.00 0.19 C ATOM 188 C GLN A 12 0.464 -13.433 1.041 1.00 0.17 C ATOM 189 O GLN A 12 -0.723 -13.379 0.787 1.00 0.16 O ATOM 190 CB GLN A 12 2.138 -14.649 -0.351 1.00 0.24 C ATOM 191 CG GLN A 12 3.330 -14.480 -1.294 1.00 1.21 C ATOM 192 CD GLN A 12 3.819 -15.856 -1.750 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.042 -16.782 -1.870 1.00 2.35 O ATOM 194 NE2 GLN A 12 5.087 -16.031 -2.008 1.00 2.47 N ATOM 0 H GLN A 12 3.530 -12.709 0.358 1.00 0.15 H new ATOM 0 HA GLN A 12 1.045 -12.890 -0.958 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.460 -15.120 0.578 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.395 -15.307 -0.802 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.042 -13.880 -2.157 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.134 -13.946 -0.788 1.00 1.21 H new ATOM 0 HE21 GLN A 12 5.740 -15.254 -1.907 1.00 2.47 H new ATOM 0 HE22 GLN A 12 5.425 -16.945 -2.310 1.00 2.47 H new ATOM 203 N GLU A 13 0.885 -13.628 2.257 1.00 0.19 N ATOM 204 CA GLU A 13 -0.092 -13.791 3.365 1.00 0.20 C ATOM 205 C GLU A 13 -0.998 -12.557 3.446 1.00 0.18 C ATOM 206 O GLU A 13 -2.168 -12.659 3.758 1.00 0.19 O ATOM 207 CB GLU A 13 0.669 -13.962 4.685 1.00 0.25 C ATOM 208 CG GLU A 13 1.164 -15.405 4.826 1.00 0.30 C ATOM 209 CD GLU A 13 1.827 -15.580 6.195 1.00 1.29 C ATOM 210 OE1 GLU A 13 1.727 -14.670 7.001 1.00 2.03 O ATOM 211 OE2 GLU A 13 2.424 -16.622 6.413 1.00 2.10 O ATOM 0 H GLU A 13 1.866 -13.682 2.532 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.708 -14.671 3.181 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.514 -13.275 4.718 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.020 -13.709 5.523 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.331 -16.100 4.721 1.00 0.30 H new ATOM 0 HG3 GLU A 13 1.874 -15.637 4.033 1.00 0.30 H new ATOM 218 N ALA A 14 -0.471 -11.393 3.178 1.00 0.18 N ATOM 219 CA ALA A 14 -1.318 -10.171 3.255 1.00 0.18 C ATOM 220 C ALA A 14 -2.473 -10.282 2.250 1.00 0.18 C ATOM 221 O ALA A 14 -3.615 -10.017 2.567 1.00 0.19 O ATOM 222 CB ALA A 14 -0.467 -8.940 2.935 1.00 0.20 C ATOM 0 H ALA A 14 0.501 -11.237 2.911 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.727 -10.074 4.261 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -1.086 -8.045 2.991 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.347 -8.863 3.655 1.00 0.20 H new ATOM 0 HB3 ALA A 14 -0.055 -9.034 1.930 1.00 0.20 H new ATOM 228 N LEU A 15 -2.176 -10.674 1.041 1.00 0.17 N ATOM 229 CA LEU A 15 -3.245 -10.807 0.003 1.00 0.18 C ATOM 230 C LEU A 15 -4.245 -11.884 0.427 1.00 0.18 C ATOM 231 O LEU A 15 -5.443 -11.707 0.327 1.00 0.18 O ATOM 232 CB LEU A 15 -2.606 -11.194 -1.337 1.00 0.19 C ATOM 233 CG LEU A 15 -1.312 -10.396 -1.545 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.771 -10.657 -2.955 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.595 -8.899 -1.374 1.00 0.62 C ATOM 0 H LEU A 15 -1.236 -10.909 0.724 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.768 -9.857 -0.104 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.392 -12.263 -1.353 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.301 -10.996 -2.153 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.573 -10.709 -0.808 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.148 -10.090 -3.103 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.565 -11.721 -3.074 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.511 -10.346 -3.692 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.674 -8.335 -1.522 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.336 -8.583 -2.108 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.976 -8.713 -0.370 1.00 0.62 H new ATOM 247 N ASP A 16 -3.765 -13.001 0.895 1.00 0.19 N ATOM 248 CA ASP A 16 -4.690 -14.086 1.319 1.00 0.21 C ATOM 249 C ASP A 16 -5.523 -13.617 2.514 1.00 0.20 C ATOM 250 O ASP A 16 -6.687 -13.946 2.637 1.00 0.20 O ATOM 251 CB ASP A 16 -3.878 -15.319 1.721 1.00 0.24 C ATOM 252 CG ASP A 16 -4.820 -16.405 2.243 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.743 -16.756 1.525 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.602 -16.870 3.349 1.00 1.07 O ATOM 0 H ASP A 16 -2.772 -13.209 1.002 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.354 -14.337 0.491 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -3.316 -15.692 0.865 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.151 -15.054 2.489 1.00 0.24 H new ATOM 259 N ALA A 17 -4.939 -12.855 3.399 1.00 0.22 N ATOM 260 CA ALA A 17 -5.701 -12.373 4.588 1.00 0.24 C ATOM 261 C ALA A 17 -6.589 -11.193 4.190 1.00 0.21 C ATOM 262 O ALA A 17 -7.530 -10.853 4.880 1.00 0.22 O ATOM 263 CB ALA A 17 -4.720 -11.926 5.674 1.00 0.30 C ATOM 0 H ALA A 17 -3.968 -12.545 3.351 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.325 -13.182 4.967 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.275 -11.574 6.543 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -4.089 -12.767 5.963 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -4.096 -11.119 5.291 1.00 0.30 H new ATOM 269 N ALA A 18 -6.298 -10.562 3.086 1.00 0.21 N ATOM 270 CA ALA A 18 -7.129 -9.403 2.655 1.00 0.22 C ATOM 271 C ALA A 18 -8.521 -9.891 2.250 1.00 0.21 C ATOM 272 O ALA A 18 -9.405 -9.106 1.969 1.00 0.24 O ATOM 273 CB ALA A 18 -6.458 -8.711 1.464 1.00 0.23 C ATOM 0 H ALA A 18 -5.523 -10.798 2.466 1.00 0.21 H new ATOM 0 HA ALA A 18 -7.223 -8.696 3.479 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -7.065 -7.863 1.147 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.469 -8.360 1.757 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.363 -9.417 0.639 1.00 0.23 H new ATOM 279 N GLY A 19 -8.725 -11.177 2.222 1.00 0.22 N ATOM 280 CA GLY A 19 -10.061 -11.707 1.835 1.00 0.24 C ATOM 281 C GLY A 19 -10.350 -11.345 0.377 1.00 0.20 C ATOM 282 O GLY A 19 -9.796 -11.925 -0.536 1.00 0.28 O ATOM 0 H GLY A 19 -8.026 -11.884 2.450 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -10.086 -12.789 1.964 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.831 -11.290 2.484 1.00 0.24 H new ATOM 286 N ASP A 20 -11.219 -10.389 0.153 1.00 0.13 N ATOM 287 CA ASP A 20 -11.560 -9.981 -1.245 1.00 0.18 C ATOM 288 C ASP A 20 -11.650 -8.456 -1.332 1.00 0.15 C ATOM 289 O ASP A 20 -11.920 -7.903 -2.378 1.00 0.22 O ATOM 290 CB ASP A 20 -12.914 -10.585 -1.625 1.00 0.26 C ATOM 291 CG ASP A 20 -12.783 -12.104 -1.749 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.685 -12.564 -2.019 1.00 2.21 O ATOM 293 OD2 ASP A 20 -13.782 -12.780 -1.572 1.00 2.19 O ATOM 0 H ASP A 20 -11.709 -9.872 0.883 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.787 -10.337 -1.926 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.660 -10.335 -0.870 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.260 -10.162 -2.568 1.00 0.26 H new ATOM 298 N LYS A 21 -11.423 -7.768 -0.246 1.00 0.12 N ATOM 299 CA LYS A 21 -11.495 -6.287 -0.290 1.00 0.19 C ATOM 300 C LYS A 21 -10.315 -5.756 -1.097 1.00 0.15 C ATOM 301 O LYS A 21 -9.428 -6.494 -1.481 1.00 0.15 O ATOM 302 CB LYS A 21 -11.451 -5.740 1.133 1.00 0.27 C ATOM 303 CG LYS A 21 -12.603 -6.353 1.947 1.00 0.29 C ATOM 304 CD LYS A 21 -12.330 -6.201 3.448 1.00 0.30 C ATOM 305 CE LYS A 21 -11.462 -7.356 3.951 1.00 1.12 C ATOM 306 NZ LYS A 21 -12.272 -8.607 4.006 1.00 1.90 N ATOM 0 H LYS A 21 -11.192 -8.168 0.663 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.424 -5.969 -0.763 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.494 -5.979 1.598 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.537 -4.653 1.120 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.542 -5.862 1.689 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.715 -7.408 1.695 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.830 -5.252 3.639 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -13.272 -6.180 3.995 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -10.606 -7.494 3.291 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -11.067 -7.123 4.940 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -11.842 -9.270 4.683 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.240 -8.381 4.311 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -12.299 -9.045 3.063 1.00 1.90 H new ATOM 320 N LEU A 22 -10.304 -4.486 -1.370 1.00 0.13 N ATOM 321 CA LEU A 22 -9.194 -3.911 -2.166 1.00 0.11 C ATOM 322 C LEU A 22 -7.891 -4.010 -1.353 1.00 0.10 C ATOM 323 O LEU A 22 -7.915 -4.230 -0.157 1.00 0.11 O ATOM 324 CB LEU A 22 -9.530 -2.436 -2.486 1.00 0.12 C ATOM 325 CG LEU A 22 -9.235 -2.081 -3.959 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.473 -0.568 -4.168 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.783 -2.437 -4.330 1.00 0.11 C ATOM 0 H LEU A 22 -11.018 -3.820 -1.075 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.064 -4.457 -3.100 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.582 -2.250 -2.272 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -8.951 -1.783 -1.833 1.00 0.12 H new ATOM 0 HG LEU A 22 -9.900 -2.657 -4.602 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.267 -0.307 -5.206 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.509 -0.327 -3.932 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -8.811 -0.002 -3.513 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.600 -2.177 -5.373 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.097 -1.880 -3.692 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.623 -3.506 -4.189 1.00 0.11 H new ATOM 339 N VAL A 23 -6.759 -3.847 -1.989 1.00 0.08 N ATOM 340 CA VAL A 23 -5.459 -3.923 -1.257 1.00 0.09 C ATOM 341 C VAL A 23 -4.463 -2.946 -1.884 1.00 0.08 C ATOM 342 O VAL A 23 -3.928 -3.194 -2.948 1.00 0.09 O ATOM 343 CB VAL A 23 -4.895 -5.344 -1.359 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.686 -5.477 -0.433 1.00 0.12 C ATOM 345 CG2 VAL A 23 -5.963 -6.355 -0.944 1.00 0.10 C ATOM 0 H VAL A 23 -6.679 -3.664 -2.989 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.620 -3.665 -0.210 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.594 -5.539 -2.388 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.283 -6.487 -0.504 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -2.921 -4.759 -0.729 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -3.991 -5.279 0.595 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.557 -7.364 -1.018 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.268 -6.161 0.084 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.827 -6.262 -1.602 1.00 0.10 H new ATOM 355 N VAL A 24 -4.204 -1.837 -1.233 1.00 0.08 N ATOM 356 CA VAL A 24 -3.232 -0.840 -1.782 1.00 0.08 C ATOM 357 C VAL A 24 -1.914 -0.949 -1.014 1.00 0.08 C ATOM 358 O VAL A 24 -1.896 -1.013 0.200 1.00 0.08 O ATOM 359 CB VAL A 24 -3.798 0.575 -1.637 1.00 0.08 C ATOM 360 CG1 VAL A 24 -2.974 1.546 -2.490 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.258 0.594 -2.105 1.00 0.09 C ATOM 0 H VAL A 24 -4.626 -1.579 -0.341 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.060 -1.045 -2.839 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.749 0.879 -0.592 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.377 2.553 -2.387 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -1.937 1.534 -2.155 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.021 1.242 -3.536 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.660 1.602 -2.001 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.309 0.289 -3.150 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.844 -0.095 -1.497 1.00 0.09 H new ATOM 371 N VAL A 25 -0.813 -0.976 -1.719 1.00 0.09 N ATOM 372 CA VAL A 25 0.524 -1.087 -1.058 1.00 0.09 C ATOM 373 C VAL A 25 1.275 0.228 -1.221 1.00 0.10 C ATOM 374 O VAL A 25 1.331 0.787 -2.296 1.00 0.17 O ATOM 375 CB VAL A 25 1.327 -2.203 -1.734 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.479 -2.643 -0.827 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.405 -3.392 -2.006 1.00 0.09 C ATOM 0 H VAL A 25 -0.782 -0.925 -2.737 1.00 0.09 H new ATOM 0 HA VAL A 25 0.392 -1.311 0.001 1.00 0.09 H new ATOM 0 HB VAL A 25 1.738 -1.833 -2.673 1.00 0.10 H new ATOM 0 HG11 VAL A 25 3.044 -3.437 -1.316 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.136 -1.795 -0.636 1.00 0.12 H new ATOM 0 HG13 VAL A 25 2.078 -3.012 0.117 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.972 -4.189 -2.487 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.006 -3.756 -1.065 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.409 -3.079 -2.660 1.00 0.09 H new ATOM 387 N ASP A 26 1.864 0.714 -0.166 1.00 0.08 N ATOM 388 CA ASP A 26 2.631 1.990 -0.244 1.00 0.08 C ATOM 389 C ASP A 26 4.122 1.683 -0.151 1.00 0.08 C ATOM 390 O ASP A 26 4.640 1.393 0.909 1.00 0.09 O ATOM 391 CB ASP A 26 2.223 2.894 0.920 1.00 0.09 C ATOM 392 CG ASP A 26 3.075 4.165 0.902 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.443 4.592 -0.180 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.343 4.690 1.970 1.00 0.96 O ATOM 0 H ASP A 26 1.848 0.279 0.756 1.00 0.08 H new ATOM 0 HA ASP A 26 2.419 2.493 -1.188 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.166 3.151 0.842 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.355 2.369 1.866 1.00 0.09 H new ATOM 399 N PHE A 27 4.821 1.752 -1.249 1.00 0.08 N ATOM 400 CA PHE A 27 6.283 1.477 -1.216 1.00 0.09 C ATOM 401 C PHE A 27 6.992 2.778 -0.863 1.00 0.11 C ATOM 402 O PHE A 27 7.459 3.493 -1.728 1.00 0.13 O ATOM 403 CB PHE A 27 6.753 1.018 -2.597 1.00 0.10 C ATOM 404 CG PHE A 27 6.334 -0.414 -2.856 1.00 0.11 C ATOM 405 CD1 PHE A 27 5.028 -0.709 -3.301 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.261 -1.456 -2.670 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.656 -2.045 -3.556 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.889 -2.788 -2.928 1.00 0.21 C ATOM 409 CZ PHE A 27 5.587 -3.083 -3.370 1.00 0.23 C ATOM 0 H PHE A 27 4.443 1.987 -2.167 1.00 0.08 H new ATOM 0 HA PHE A 27 6.504 0.699 -0.486 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.334 1.669 -3.364 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.838 1.103 -2.664 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.314 0.088 -3.446 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.261 -1.233 -2.328 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.656 -2.271 -3.894 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.604 -3.585 -2.786 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.302 -4.106 -3.567 1.00 0.23 H new ATOM 419 N SER A 28 7.056 3.094 0.405 1.00 0.11 N ATOM 420 CA SER A 28 7.722 4.356 0.848 1.00 0.12 C ATOM 421 C SER A 28 8.973 4.015 1.651 1.00 0.10 C ATOM 422 O SER A 28 9.025 3.019 2.344 1.00 0.11 O ATOM 423 CB SER A 28 6.761 5.150 1.728 1.00 0.17 C ATOM 424 OG SER A 28 5.665 5.596 0.940 1.00 1.03 O ATOM 0 H SER A 28 6.671 2.526 1.160 1.00 0.11 H new ATOM 0 HA SER A 28 7.998 4.948 -0.024 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.404 4.529 2.550 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.276 6.002 2.172 1.00 0.17 H new ATOM 0 HG SER A 28 4.852 5.606 1.487 1.00 1.03 H new ATOM 430 N ALA A 29 9.979 4.841 1.575 1.00 0.10 N ATOM 431 CA ALA A 29 11.226 4.577 2.346 1.00 0.15 C ATOM 432 C ALA A 29 11.116 5.281 3.705 1.00 0.18 C ATOM 433 O ALA A 29 10.882 6.470 3.782 1.00 0.26 O ATOM 434 CB ALA A 29 12.427 5.114 1.554 1.00 0.19 C ATOM 0 H ALA A 29 9.991 5.690 1.010 1.00 0.10 H new ATOM 0 HA ALA A 29 11.363 3.508 2.506 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.344 4.925 2.111 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.479 4.612 0.588 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.311 6.187 1.400 1.00 0.19 H new ATOM 440 N THR A 30 11.265 4.548 4.773 1.00 0.18 N ATOM 441 CA THR A 30 11.148 5.162 6.128 1.00 0.23 C ATOM 442 C THR A 30 12.281 6.166 6.361 1.00 0.26 C ATOM 443 O THR A 30 12.159 7.074 7.160 1.00 0.31 O ATOM 444 CB THR A 30 11.221 4.059 7.189 1.00 0.26 C ATOM 445 OG1 THR A 30 10.966 4.619 8.468 1.00 0.32 O ATOM 446 CG2 THR A 30 12.613 3.421 7.176 1.00 0.28 C ATOM 0 H THR A 30 11.463 3.547 4.767 1.00 0.18 H new ATOM 0 HA THR A 30 10.195 5.686 6.198 1.00 0.23 H new ATOM 0 HB THR A 30 10.475 3.295 6.970 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.011 3.915 9.148 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.661 2.637 7.932 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.807 2.990 6.194 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.364 4.181 7.393 1.00 0.28 H new ATOM 454 N TRP A 31 13.387 6.012 5.683 1.00 0.26 N ATOM 455 CA TRP A 31 14.527 6.959 5.886 1.00 0.32 C ATOM 456 C TRP A 31 14.389 8.152 4.938 1.00 0.32 C ATOM 457 O TRP A 31 15.066 9.150 5.081 1.00 0.36 O ATOM 458 CB TRP A 31 15.851 6.231 5.611 1.00 0.34 C ATOM 459 CG TRP A 31 16.002 5.961 4.147 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.635 4.817 3.523 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.557 6.829 3.120 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.936 4.925 2.176 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.504 6.147 1.876 1.00 0.29 C ATOM 464 CE3 TRP A 31 17.101 8.133 3.146 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.973 6.739 0.694 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.573 8.733 1.961 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.511 8.038 0.737 1.00 0.40 C ATOM 0 H TRP A 31 13.552 5.274 4.999 1.00 0.26 H new ATOM 0 HA TRP A 31 14.516 7.319 6.915 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.686 6.836 5.964 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.880 5.293 6.165 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.181 3.960 3.998 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.760 4.192 1.489 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.155 8.673 4.080 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.921 6.202 -0.242 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.984 9.731 1.992 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.876 8.502 -0.167 1.00 0.40 H new ATOM 478 N CYS A 32 13.528 8.047 3.961 1.00 0.28 N ATOM 479 CA CYS A 32 13.351 9.161 2.982 1.00 0.30 C ATOM 480 C CYS A 32 12.156 10.029 3.396 1.00 0.31 C ATOM 481 O CYS A 32 11.028 9.581 3.440 1.00 0.29 O ATOM 482 CB CYS A 32 13.124 8.557 1.589 1.00 0.28 C ATOM 483 SG CYS A 32 13.746 9.692 0.321 1.00 0.32 S ATOM 0 H CYS A 32 12.936 7.233 3.798 1.00 0.28 H new ATOM 0 HA CYS A 32 14.240 9.792 2.962 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.633 7.596 1.512 1.00 0.28 H new ATOM 0 HB3 CYS A 32 12.062 8.369 1.433 1.00 0.28 H new ATOM 488 N GLY A 33 12.412 11.270 3.703 1.00 0.34 N ATOM 489 CA GLY A 33 11.321 12.193 4.125 1.00 0.36 C ATOM 490 C GLY A 33 10.221 12.302 3.055 1.00 0.35 C ATOM 491 O GLY A 33 9.067 12.092 3.359 1.00 0.33 O ATOM 0 H GLY A 33 13.342 11.689 3.679 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.886 11.839 5.059 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.736 13.181 4.322 1.00 0.36 H new ATOM 495 N PRO A 34 10.587 12.660 1.840 1.00 0.37 N ATOM 496 CA PRO A 34 9.600 12.838 0.755 1.00 0.38 C ATOM 497 C PRO A 34 8.631 11.653 0.681 1.00 0.35 C ATOM 498 O PRO A 34 7.466 11.816 0.375 1.00 0.36 O ATOM 499 CB PRO A 34 10.449 12.968 -0.528 1.00 0.42 C ATOM 500 CG PRO A 34 11.910 13.240 -0.071 1.00 0.44 C ATOM 501 CD PRO A 34 11.989 12.904 1.439 1.00 0.40 C ATOM 0 HA PRO A 34 8.968 13.712 0.911 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.393 12.057 -1.123 1.00 0.42 H new ATOM 0 HB3 PRO A 34 10.082 13.781 -1.154 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.611 12.627 -0.638 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.181 14.281 -0.248 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.611 12.027 1.618 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.426 13.726 2.006 1.00 0.40 H new ATOM 509 N ALA A 35 9.094 10.468 0.952 1.00 0.33 N ATOM 510 CA ALA A 35 8.185 9.292 0.890 1.00 0.32 C ATOM 511 C ALA A 35 7.313 9.263 2.148 1.00 0.39 C ATOM 512 O ALA A 35 6.102 9.333 2.084 1.00 0.81 O ATOM 513 CB ALA A 35 9.023 8.013 0.809 1.00 0.36 C ATOM 0 H ALA A 35 10.058 10.262 1.213 1.00 0.33 H new ATOM 0 HA ALA A 35 7.546 9.361 0.010 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.362 7.147 0.763 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.646 8.042 -0.085 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.659 7.938 1.691 1.00 0.36 H new ATOM 519 N LYS A 36 7.929 9.163 3.290 1.00 0.30 N ATOM 520 CA LYS A 36 7.161 9.131 4.567 1.00 0.28 C ATOM 521 C LYS A 36 6.337 10.412 4.716 1.00 0.24 C ATOM 522 O LYS A 36 5.411 10.477 5.501 1.00 0.25 O ATOM 523 CB LYS A 36 8.154 9.020 5.727 1.00 0.35 C ATOM 524 CG LYS A 36 7.401 8.943 7.058 1.00 0.38 C ATOM 525 CD LYS A 36 8.400 8.706 8.193 1.00 0.49 C ATOM 526 CE LYS A 36 7.650 8.572 9.519 1.00 1.22 C ATOM 527 NZ LYS A 36 8.617 8.670 10.648 1.00 1.92 N ATOM 0 H LYS A 36 8.942 9.101 3.396 1.00 0.30 H new ATOM 0 HA LYS A 36 6.482 8.278 4.569 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.776 8.134 5.600 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.822 9.881 5.728 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.850 9.867 7.231 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.669 8.136 7.028 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.979 7.803 7.999 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.108 9.533 8.246 1.00 0.49 H new ATOM 0 HE2 LYS A 36 6.896 9.354 9.603 1.00 1.22 H new ATOM 0 HE3 LYS A 36 7.125 7.618 9.557 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.108 8.579 11.550 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.321 7.908 10.569 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 9.098 9.591 10.614 1.00 1.92 H new ATOM 541 N MET A 37 6.670 11.436 3.983 1.00 0.23 N ATOM 542 CA MET A 37 5.911 12.711 4.109 1.00 0.24 C ATOM 543 C MET A 37 4.430 12.483 3.797 1.00 0.20 C ATOM 544 O MET A 37 3.579 13.229 4.238 1.00 0.20 O ATOM 545 CB MET A 37 6.485 13.750 3.135 1.00 0.29 C ATOM 546 CG MET A 37 5.822 15.116 3.358 1.00 1.31 C ATOM 547 SD MET A 37 4.231 15.171 2.496 1.00 2.12 S ATOM 548 CE MET A 37 3.606 16.681 3.275 1.00 3.13 C ATOM 0 H MET A 37 7.432 11.446 3.305 1.00 0.23 H new ATOM 0 HA MET A 37 6.004 13.075 5.132 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.562 13.834 3.277 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.323 13.423 2.108 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.675 15.290 4.424 1.00 1.31 H new ATOM 0 HG3 MET A 37 6.472 15.911 2.992 1.00 1.31 H new ATOM 0 HE1 MET A 37 2.615 16.909 2.883 1.00 3.13 H new ATOM 0 HE2 MET A 37 3.545 16.536 4.354 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.281 17.509 3.058 1.00 3.13 H new ATOM 558 N ILE A 38 4.106 11.474 3.029 1.00 0.18 N ATOM 559 CA ILE A 38 2.672 11.233 2.673 1.00 0.15 C ATOM 560 C ILE A 38 2.064 10.194 3.613 1.00 0.16 C ATOM 561 O ILE A 38 0.989 9.681 3.371 1.00 0.16 O ATOM 562 CB ILE A 38 2.580 10.736 1.226 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.623 11.480 0.389 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.177 11.027 0.664 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.455 11.128 -1.092 1.00 0.28 C ATOM 0 H ILE A 38 4.769 10.808 2.633 1.00 0.18 H new ATOM 0 HA ILE A 38 2.119 12.167 2.774 1.00 0.15 H new ATOM 0 HB ILE A 38 2.763 9.662 1.192 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.515 12.555 0.530 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.626 11.214 0.723 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.116 10.672 -0.365 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.429 10.515 1.269 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.991 12.101 0.689 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.201 11.662 -1.680 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.586 10.054 -1.228 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.458 11.417 -1.424 1.00 0.28 H new ATOM 577 N LYS A 39 2.717 9.886 4.700 1.00 0.19 N ATOM 578 CA LYS A 39 2.116 8.897 5.631 1.00 0.22 C ATOM 579 C LYS A 39 0.843 9.441 6.317 1.00 0.20 C ATOM 580 O LYS A 39 -0.014 8.657 6.662 1.00 0.21 O ATOM 581 CB LYS A 39 3.138 8.379 6.682 1.00 0.31 C ATOM 582 CG LYS A 39 3.333 9.367 7.860 1.00 0.34 C ATOM 583 CD LYS A 39 3.879 8.625 9.100 1.00 0.45 C ATOM 584 CE LYS A 39 2.878 7.560 9.601 1.00 1.16 C ATOM 585 NZ LYS A 39 3.290 6.216 9.095 1.00 1.62 N ATOM 0 H LYS A 39 3.621 10.268 4.978 1.00 0.19 H new ATOM 0 HA LYS A 39 1.820 8.046 5.018 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.799 7.419 7.070 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.098 8.205 6.195 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.023 10.159 7.569 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.384 9.845 8.103 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.828 8.148 8.853 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.080 9.342 9.896 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.848 7.557 10.691 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.872 7.799 9.255 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.478 5.753 8.639 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 4.059 6.326 8.404 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.620 5.632 9.890 1.00 1.62 H new ATOM 599 N PRO A 40 0.732 10.742 6.556 1.00 0.20 N ATOM 600 CA PRO A 40 -0.455 11.260 7.255 1.00 0.21 C ATOM 601 C PRO A 40 -1.700 11.111 6.380 1.00 0.17 C ATOM 602 O PRO A 40 -2.764 11.592 6.721 1.00 0.20 O ATOM 603 CB PRO A 40 -0.137 12.735 7.553 1.00 0.24 C ATOM 604 CG PRO A 40 1.275 13.031 6.977 1.00 0.25 C ATOM 605 CD PRO A 40 1.711 11.790 6.179 1.00 0.21 C ATOM 0 HA PRO A 40 -0.669 10.712 8.173 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.882 13.388 7.098 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.161 12.924 8.626 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.252 13.912 6.336 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.982 13.240 7.780 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.693 11.982 5.106 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.728 11.492 6.433 1.00 0.21 H new ATOM 613 N PHE A 41 -1.574 10.442 5.265 1.00 0.14 N ATOM 614 CA PHE A 41 -2.749 10.236 4.364 1.00 0.14 C ATOM 615 C PHE A 41 -2.927 8.739 4.124 1.00 0.11 C ATOM 616 O PHE A 41 -3.827 8.125 4.658 1.00 0.13 O ATOM 617 CB PHE A 41 -2.521 10.955 3.035 1.00 0.15 C ATOM 618 CG PHE A 41 -2.816 12.421 3.225 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.829 13.275 3.751 1.00 0.19 C ATOM 620 CD2 PHE A 41 -4.087 12.927 2.896 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.113 14.639 3.947 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.374 14.291 3.095 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.388 15.148 3.621 1.00 0.27 C ATOM 0 H PHE A 41 -0.703 10.026 4.936 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.646 10.644 4.829 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.493 10.816 2.701 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.166 10.536 2.263 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.855 12.884 4.004 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.842 12.269 2.491 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.355 15.296 4.347 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.350 14.680 2.844 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.608 16.194 3.775 1.00 0.27 H new ATOM 633 N PHE A 42 -2.074 8.148 3.334 1.00 0.10 N ATOM 634 CA PHE A 42 -2.187 6.686 3.054 1.00 0.11 C ATOM 635 C PHE A 42 -2.484 5.917 4.351 1.00 0.11 C ATOM 636 O PHE A 42 -3.455 5.196 4.447 1.00 0.12 O ATOM 637 CB PHE A 42 -0.863 6.197 2.458 1.00 0.13 C ATOM 638 CG PHE A 42 -0.892 4.694 2.305 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.620 4.114 1.254 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.191 3.875 3.212 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.650 2.717 1.105 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.222 2.475 3.065 1.00 0.10 C ATOM 643 CZ PHE A 42 -0.952 1.897 2.010 1.00 0.10 C ATOM 0 H PHE A 42 -1.298 8.617 2.867 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.003 6.511 2.352 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.695 6.667 1.489 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.034 6.490 3.102 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.158 4.742 0.559 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.370 4.321 4.020 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.209 2.273 0.295 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.314 1.846 3.761 1.00 0.10 H new ATOM 0 HZ PHE A 42 -0.976 0.823 1.895 1.00 0.10 H new ATOM 653 N HIS A 43 -1.657 6.072 5.347 1.00 0.14 N ATOM 654 CA HIS A 43 -1.892 5.357 6.637 1.00 0.16 C ATOM 655 C HIS A 43 -3.150 5.915 7.322 1.00 0.16 C ATOM 656 O HIS A 43 -3.812 5.228 8.073 1.00 0.18 O ATOM 657 CB HIS A 43 -0.636 5.509 7.527 1.00 0.21 C ATOM 658 CG HIS A 43 -0.989 5.447 8.991 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.919 4.275 9.727 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.456 6.407 9.855 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.339 4.555 10.975 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.678 5.841 11.108 1.00 0.39 N ATOM 0 H HIS A 43 -0.826 6.664 5.325 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.063 4.295 6.459 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.078 4.720 7.290 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.146 6.458 7.309 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.625 7.443 9.601 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.395 3.829 11.772 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.025 6.307 11.946 1.00 0.39 H new ATOM 670 N SER A 44 -3.484 7.147 7.072 1.00 0.20 N ATOM 671 CA SER A 44 -4.698 7.738 7.707 1.00 0.25 C ATOM 672 C SER A 44 -5.958 7.020 7.204 1.00 0.20 C ATOM 673 O SER A 44 -6.843 6.690 7.968 1.00 0.21 O ATOM 674 CB SER A 44 -4.774 9.224 7.349 1.00 0.34 C ATOM 675 OG SER A 44 -5.591 9.395 6.197 1.00 0.97 O ATOM 0 H SER A 44 -2.969 7.775 6.454 1.00 0.20 H new ATOM 0 HA SER A 44 -4.636 7.621 8.789 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.184 9.790 8.186 1.00 0.34 H new ATOM 0 HB3 SER A 44 -3.774 9.615 7.160 1.00 0.34 H new ATOM 0 HG SER A 44 -5.116 9.063 5.407 1.00 0.97 H new ATOM 681 N LEU A 45 -6.049 6.788 5.921 1.00 0.18 N ATOM 682 CA LEU A 45 -7.256 6.106 5.368 1.00 0.18 C ATOM 683 C LEU A 45 -7.557 4.846 6.185 1.00 0.16 C ATOM 684 O LEU A 45 -8.626 4.278 6.094 1.00 0.23 O ATOM 685 CB LEU A 45 -6.996 5.714 3.909 1.00 0.19 C ATOM 686 CG LEU A 45 -6.565 6.942 3.095 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.323 6.515 1.642 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.663 8.022 3.152 1.00 0.50 C ATOM 0 H LEU A 45 -5.340 7.041 5.233 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.108 6.784 5.420 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.221 4.949 3.864 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.897 5.280 3.476 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.648 7.357 3.512 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.016 7.380 1.055 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.539 5.759 1.611 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.242 6.102 1.226 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.350 8.890 2.572 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.588 7.623 2.736 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.829 8.318 4.188 1.00 0.50 H new ATOM 700 N SER A 46 -6.628 4.403 6.983 1.00 0.20 N ATOM 701 CA SER A 46 -6.875 3.181 7.798 1.00 0.25 C ATOM 702 C SER A 46 -8.110 3.387 8.677 1.00 0.17 C ATOM 703 O SER A 46 -8.830 2.455 8.976 1.00 0.15 O ATOM 704 CB SER A 46 -5.661 2.901 8.682 1.00 0.36 C ATOM 705 OG SER A 46 -4.533 2.659 7.857 1.00 0.51 O ATOM 0 H SER A 46 -5.711 4.832 7.107 1.00 0.20 H new ATOM 0 HA SER A 46 -7.043 2.334 7.133 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.471 3.749 9.340 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.852 2.039 9.321 1.00 0.36 H new ATOM 0 HG SER A 46 -4.028 3.491 7.742 1.00 0.51 H new ATOM 711 N GLU A 47 -8.356 4.597 9.107 1.00 0.21 N ATOM 712 CA GLU A 47 -9.541 4.861 9.981 1.00 0.21 C ATOM 713 C GLU A 47 -10.729 5.323 9.133 1.00 0.18 C ATOM 714 O GLU A 47 -11.864 5.263 9.563 1.00 0.18 O ATOM 715 CB GLU A 47 -9.190 5.955 10.996 1.00 0.32 C ATOM 716 CG GLU A 47 -7.815 5.671 11.606 1.00 0.39 C ATOM 717 CD GLU A 47 -7.824 4.295 12.272 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.641 3.316 11.568 1.00 2.00 O ATOM 719 OE2 GLU A 47 -8.016 4.244 13.476 1.00 1.98 O ATOM 0 H GLU A 47 -7.787 5.416 8.891 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.809 3.942 10.502 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.188 6.930 10.508 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.946 5.993 11.780 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.048 5.707 10.832 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.565 6.439 12.338 1.00 0.39 H new ATOM 726 N LYS A 48 -10.487 5.792 7.937 1.00 0.18 N ATOM 727 CA LYS A 48 -11.618 6.261 7.077 1.00 0.17 C ATOM 728 C LYS A 48 -12.117 5.103 6.209 1.00 0.15 C ATOM 729 O LYS A 48 -13.236 5.111 5.735 1.00 0.18 O ATOM 730 CB LYS A 48 -11.133 7.406 6.176 1.00 0.21 C ATOM 731 CG LYS A 48 -12.337 8.185 5.638 1.00 0.26 C ATOM 732 CD LYS A 48 -11.850 9.391 4.831 1.00 1.09 C ATOM 733 CE LYS A 48 -13.019 10.346 4.584 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.583 11.440 3.671 1.00 2.16 N ATOM 0 H LYS A 48 -9.560 5.871 7.518 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.432 6.615 7.709 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.479 8.072 6.738 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.547 7.007 5.348 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.950 7.538 5.010 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.966 8.517 6.464 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.054 9.905 5.370 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.430 9.061 3.881 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.858 9.805 4.146 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.367 10.763 5.529 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.378 12.089 3.503 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.795 11.962 4.106 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.271 11.033 2.766 1.00 2.16 H new ATOM 748 N TYR A 49 -11.293 4.107 6.001 1.00 0.13 N ATOM 749 CA TYR A 49 -11.705 2.936 5.165 1.00 0.13 C ATOM 750 C TYR A 49 -11.306 1.642 5.873 1.00 0.11 C ATOM 751 O TYR A 49 -10.385 0.958 5.471 1.00 0.11 O ATOM 752 CB TYR A 49 -11.007 3.014 3.800 1.00 0.15 C ATOM 753 CG TYR A 49 -11.743 3.993 2.917 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.007 3.647 2.410 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.177 5.246 2.609 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.709 4.549 1.593 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.878 6.152 1.795 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.145 5.804 1.285 1.00 0.21 C ATOM 759 OH TYR A 49 -13.834 6.693 0.486 1.00 0.24 O ATOM 0 H TYR A 49 -10.346 4.054 6.377 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.785 2.951 5.020 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.971 3.328 3.926 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -10.987 2.030 3.333 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.439 2.687 2.649 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.205 5.510 2.998 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.679 4.281 1.201 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.446 7.114 1.560 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.305 7.510 0.374 1.00 0.24 H new ATOM 769 N SER A 50 -11.998 1.299 6.920 1.00 0.12 N ATOM 770 CA SER A 50 -11.669 0.046 7.651 1.00 0.13 C ATOM 771 C SER A 50 -12.017 -1.159 6.774 1.00 0.13 C ATOM 772 O SER A 50 -11.727 -2.290 7.113 1.00 0.14 O ATOM 773 CB SER A 50 -12.481 -0.009 8.944 1.00 0.16 C ATOM 774 OG SER A 50 -13.849 -0.243 8.632 1.00 0.17 O ATOM 0 H SER A 50 -12.779 1.833 7.302 1.00 0.12 H new ATOM 0 HA SER A 50 -10.605 0.025 7.888 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.103 -0.801 9.590 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.376 0.927 9.492 1.00 0.16 H new ATOM 0 HG SER A 50 -14.372 -0.280 9.460 1.00 0.17 H new ATOM 780 N ASN A 51 -12.645 -0.925 5.650 1.00 0.13 N ATOM 781 CA ASN A 51 -13.026 -2.051 4.745 1.00 0.15 C ATOM 782 C ASN A 51 -11.969 -2.221 3.653 1.00 0.13 C ATOM 783 O ASN A 51 -12.079 -3.080 2.801 1.00 0.14 O ATOM 784 CB ASN A 51 -14.378 -1.741 4.104 1.00 0.17 C ATOM 785 CG ASN A 51 -14.885 -2.976 3.356 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.624 -4.093 3.757 1.00 0.34 O ATOM 787 ND2 ASN A 51 -15.605 -2.822 2.279 1.00 0.32 N ATOM 0 H ASN A 51 -12.911 0.002 5.319 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.093 -2.974 5.321 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.096 -1.446 4.869 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.282 -0.901 3.417 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.949 -3.639 1.774 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -15.824 -1.885 1.942 1.00 0.32 H new ATOM 794 N VAL A 52 -10.937 -1.415 3.682 1.00 0.11 N ATOM 795 CA VAL A 52 -9.845 -1.524 2.660 1.00 0.10 C ATOM 796 C VAL A 52 -8.574 -1.994 3.363 1.00 0.10 C ATOM 797 O VAL A 52 -8.332 -1.671 4.509 1.00 0.11 O ATOM 798 CB VAL A 52 -9.583 -0.155 2.032 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.407 -0.254 1.056 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.834 0.319 1.283 1.00 0.12 C ATOM 0 H VAL A 52 -10.801 -0.679 4.375 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.139 -2.227 1.881 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.342 0.561 2.818 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.222 0.723 0.609 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.516 -0.583 1.592 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.645 -0.972 0.272 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.643 1.295 0.837 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.081 -0.396 0.499 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.668 0.396 1.980 1.00 0.12 H new ATOM 810 N ILE A 53 -7.767 -2.764 2.688 1.00 0.09 N ATOM 811 CA ILE A 53 -6.513 -3.277 3.312 1.00 0.09 C ATOM 812 C ILE A 53 -5.321 -2.434 2.837 1.00 0.09 C ATOM 813 O ILE A 53 -5.025 -2.375 1.660 1.00 0.14 O ATOM 814 CB ILE A 53 -6.314 -4.732 2.877 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.667 -5.477 2.856 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.329 -5.440 3.815 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.482 -5.245 4.149 1.00 0.17 C ATOM 0 H ILE A 53 -7.922 -3.062 1.725 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.583 -3.216 4.398 1.00 0.09 H new ATOM 0 HB ILE A 53 -5.899 -4.739 1.869 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.250 -5.144 1.997 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.490 -6.545 2.727 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.198 -6.473 3.493 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.368 -4.927 3.788 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.720 -5.424 4.832 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.425 -5.789 4.087 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -7.913 -5.602 5.007 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.684 -4.180 4.266 1.00 0.17 H new ATOM 829 N PHE A 54 -4.633 -1.794 3.748 1.00 0.08 N ATOM 830 CA PHE A 54 -3.448 -0.959 3.374 1.00 0.08 C ATOM 831 C PHE A 54 -2.181 -1.664 3.848 1.00 0.08 C ATOM 832 O PHE A 54 -2.084 -2.084 4.984 1.00 0.11 O ATOM 833 CB PHE A 54 -3.552 0.405 4.055 1.00 0.08 C ATOM 834 CG PHE A 54 -4.841 1.065 3.632 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.995 1.504 2.305 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.892 1.234 4.556 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.195 2.112 1.899 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.095 1.842 4.150 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.246 2.282 2.821 1.00 0.09 C ATOM 0 H PHE A 54 -4.843 -1.814 4.746 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.417 -0.822 2.293 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.526 0.288 5.138 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.701 1.029 3.781 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.190 1.374 1.597 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.774 0.897 5.575 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.311 2.449 0.880 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.901 1.971 4.857 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.168 2.750 2.509 1.00 0.09 H new ATOM 849 N LEU A 55 -1.215 -1.809 2.978 1.00 0.08 N ATOM 850 CA LEU A 55 0.056 -2.505 3.347 1.00 0.09 C ATOM 851 C LEU A 55 1.195 -1.481 3.361 1.00 0.09 C ATOM 852 O LEU A 55 1.027 -0.343 2.967 1.00 0.10 O ATOM 853 CB LEU A 55 0.363 -3.591 2.300 1.00 0.10 C ATOM 854 CG LEU A 55 -0.456 -4.866 2.573 1.00 0.11 C ATOM 855 CD1 LEU A 55 -1.955 -4.527 2.674 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.214 -5.874 1.432 1.00 0.12 C ATOM 0 H LEU A 55 -1.252 -1.471 2.016 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.044 -2.964 4.330 1.00 0.09 H new ATOM 0 HB2 LEU A 55 0.136 -3.215 1.303 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.427 -3.827 2.317 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.140 -5.304 3.520 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.522 -5.438 2.867 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.114 -3.821 3.489 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.291 -4.082 1.737 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.791 -6.780 1.618 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.526 -5.433 0.485 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.846 -6.122 1.385 1.00 0.12 H new ATOM 868 N GLU A 56 2.355 -1.883 3.803 1.00 0.09 N ATOM 869 CA GLU A 56 3.523 -0.951 3.838 1.00 0.09 C ATOM 870 C GLU A 56 4.773 -1.744 3.460 1.00 0.09 C ATOM 871 O GLU A 56 4.893 -2.910 3.782 1.00 0.10 O ATOM 872 CB GLU A 56 3.672 -0.371 5.252 1.00 0.09 C ATOM 873 CG GLU A 56 4.596 0.855 5.223 1.00 0.11 C ATOM 874 CD GLU A 56 4.464 1.628 6.537 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.346 1.779 7.004 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.481 2.061 7.053 1.00 1.24 O ATOM 0 H GLU A 56 2.547 -2.825 4.145 1.00 0.09 H new ATOM 0 HA GLU A 56 3.379 -0.128 3.138 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.694 -0.090 5.644 1.00 0.09 H new ATOM 0 HB3 GLU A 56 4.079 -1.127 5.923 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.629 0.541 5.076 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.336 1.499 4.383 1.00 0.11 H new ATOM 883 N VAL A 57 5.696 -1.138 2.753 1.00 0.08 N ATOM 884 CA VAL A 57 6.923 -1.882 2.329 1.00 0.08 C ATOM 885 C VAL A 57 8.160 -0.982 2.405 1.00 0.09 C ATOM 886 O VAL A 57 8.116 0.192 2.084 1.00 0.14 O ATOM 887 CB VAL A 57 6.742 -2.358 0.885 1.00 0.09 C ATOM 888 CG1 VAL A 57 8.020 -3.063 0.420 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.563 -3.333 0.807 1.00 0.09 C ATOM 0 H VAL A 57 5.653 -0.164 2.452 1.00 0.08 H new ATOM 0 HA VAL A 57 7.066 -2.731 2.998 1.00 0.08 H new ATOM 0 HB VAL A 57 6.542 -1.500 0.243 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.894 -3.403 -0.608 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.858 -2.368 0.472 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.218 -3.920 1.064 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.437 -3.670 -0.222 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.758 -4.192 1.449 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.654 -2.832 1.139 1.00 0.09 H new ATOM 899 N ASP A 58 9.274 -1.546 2.809 1.00 0.09 N ATOM 900 CA ASP A 58 10.549 -0.769 2.894 1.00 0.09 C ATOM 901 C ASP A 58 11.382 -1.062 1.639 1.00 0.10 C ATOM 902 O ASP A 58 12.077 -2.055 1.561 1.00 0.11 O ATOM 903 CB ASP A 58 11.327 -1.203 4.145 1.00 0.11 C ATOM 904 CG ASP A 58 12.386 -0.150 4.487 1.00 0.13 C ATOM 905 OD1 ASP A 58 12.008 0.983 4.736 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.557 -0.495 4.492 1.00 1.08 O ATOM 0 H ASP A 58 9.353 -2.524 3.087 1.00 0.09 H new ATOM 0 HA ASP A 58 10.337 0.298 2.959 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.643 -1.330 4.984 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.803 -2.168 3.972 1.00 0.11 H new ATOM 911 N VAL A 59 11.299 -0.214 0.653 1.00 0.12 N ATOM 912 CA VAL A 59 12.060 -0.442 -0.611 1.00 0.15 C ATOM 913 C VAL A 59 13.558 -0.582 -0.327 1.00 0.18 C ATOM 914 O VAL A 59 14.339 -0.807 -1.228 1.00 0.27 O ATOM 915 CB VAL A 59 11.841 0.747 -1.550 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.421 0.698 -2.111 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.034 2.050 -0.770 1.00 0.22 C ATOM 0 H VAL A 59 10.733 0.634 0.667 1.00 0.12 H new ATOM 0 HA VAL A 59 11.702 -1.363 -1.071 1.00 0.15 H new ATOM 0 HB VAL A 59 12.558 0.701 -2.370 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.265 1.544 -2.780 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.280 -0.231 -2.663 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.704 0.746 -1.291 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.879 2.899 -1.436 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.315 2.094 0.048 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.046 2.086 -0.366 1.00 0.22 H new ATOM 927 N ASP A 60 13.972 -0.430 0.904 1.00 0.16 N ATOM 928 CA ASP A 60 15.431 -0.531 1.230 1.00 0.18 C ATOM 929 C ASP A 60 15.748 -1.861 1.923 1.00 0.17 C ATOM 930 O ASP A 60 16.713 -2.520 1.592 1.00 0.18 O ATOM 931 CB ASP A 60 15.810 0.621 2.157 1.00 0.21 C ATOM 932 CG ASP A 60 15.638 1.951 1.420 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.421 2.213 0.521 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.728 2.686 1.767 1.00 1.08 O ATOM 0 H ASP A 60 13.364 -0.240 1.701 1.00 0.16 H new ATOM 0 HA ASP A 60 16.002 -0.481 0.303 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.184 0.604 3.049 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.842 0.509 2.490 1.00 0.21 H new ATOM 939 N ASP A 61 14.964 -2.251 2.898 1.00 0.17 N ATOM 940 CA ASP A 61 15.246 -3.528 3.632 1.00 0.17 C ATOM 941 C ASP A 61 14.395 -4.673 3.057 1.00 0.16 C ATOM 942 O ASP A 61 14.752 -5.828 3.176 1.00 0.18 O ATOM 943 CB ASP A 61 14.935 -3.311 5.125 1.00 0.19 C ATOM 944 CG ASP A 61 14.724 -4.650 5.840 1.00 0.22 C ATOM 945 OD1 ASP A 61 13.684 -5.253 5.634 1.00 1.12 O ATOM 946 OD2 ASP A 61 15.606 -5.046 6.584 1.00 1.07 O ATOM 0 H ASP A 61 14.141 -1.742 3.219 1.00 0.17 H new ATOM 0 HA ASP A 61 16.294 -3.804 3.514 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.754 -2.768 5.596 1.00 0.19 H new ATOM 0 HB3 ASP A 61 14.042 -2.694 5.229 1.00 0.19 H new ATOM 951 N ALA A 62 13.287 -4.368 2.427 1.00 0.16 N ATOM 952 CA ALA A 62 12.428 -5.448 1.836 1.00 0.16 C ATOM 953 C ALA A 62 12.604 -5.448 0.321 1.00 0.16 C ATOM 954 O ALA A 62 11.655 -5.580 -0.425 1.00 0.15 O ATOM 955 CB ALA A 62 10.959 -5.185 2.162 1.00 0.17 C ATOM 0 H ALA A 62 12.938 -3.419 2.295 1.00 0.16 H new ATOM 0 HA ALA A 62 12.724 -6.411 2.253 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.343 -5.974 1.729 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.823 -5.171 3.243 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.661 -4.223 1.746 1.00 0.17 H new ATOM 961 N GLN A 63 13.809 -5.293 -0.138 1.00 0.20 N ATOM 962 CA GLN A 63 14.042 -5.275 -1.605 1.00 0.22 C ATOM 963 C GLN A 63 13.469 -6.545 -2.237 1.00 0.20 C ATOM 964 O GLN A 63 13.370 -6.654 -3.441 1.00 0.20 O ATOM 965 CB GLN A 63 15.546 -5.195 -1.888 1.00 0.29 C ATOM 966 CG GLN A 63 15.780 -4.727 -3.322 1.00 0.90 C ATOM 967 CD GLN A 63 17.264 -4.408 -3.519 1.00 1.53 C ATOM 968 OE1 GLN A 63 17.879 -3.779 -2.681 1.00 2.17 O ATOM 969 NE2 GLN A 63 17.869 -4.816 -4.602 1.00 2.22 N ATOM 0 H GLN A 63 14.643 -5.178 0.438 1.00 0.20 H new ATOM 0 HA GLN A 63 13.546 -4.405 -2.034 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.020 -4.506 -1.189 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.006 -6.171 -1.735 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.467 -5.500 -4.024 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.176 -3.844 -3.531 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.353 -5.344 -5.306 1.00 2.22 H new ATOM 0 HE22 GLN A 63 18.857 -4.607 -4.744 1.00 2.22 H new ATOM 978 N ASP A 64 13.089 -7.505 -1.439 1.00 0.19 N ATOM 979 CA ASP A 64 12.524 -8.755 -2.013 1.00 0.20 C ATOM 980 C ASP A 64 11.161 -8.441 -2.629 1.00 0.17 C ATOM 981 O ASP A 64 10.847 -8.872 -3.720 1.00 0.19 O ATOM 982 CB ASP A 64 12.368 -9.802 -0.905 1.00 0.22 C ATOM 983 CG ASP A 64 11.861 -9.128 0.371 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.648 -8.450 1.012 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.695 -9.301 0.685 1.00 1.09 O ATOM 0 H ASP A 64 13.145 -7.477 -0.421 1.00 0.19 H new ATOM 0 HA ASP A 64 13.191 -9.149 -2.780 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.671 -10.578 -1.220 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.324 -10.290 -0.715 1.00 0.22 H new ATOM 990 N VAL A 65 10.358 -7.677 -1.945 1.00 0.15 N ATOM 991 CA VAL A 65 9.029 -7.317 -2.500 1.00 0.16 C ATOM 992 C VAL A 65 9.235 -6.282 -3.606 1.00 0.16 C ATOM 993 O VAL A 65 8.677 -6.383 -4.680 1.00 0.19 O ATOM 994 CB VAL A 65 8.157 -6.727 -1.389 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.700 -6.674 -1.855 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.263 -7.603 -0.137 1.00 0.18 C ATOM 0 H VAL A 65 10.566 -7.287 -1.026 1.00 0.15 H new ATOM 0 HA VAL A 65 8.534 -8.199 -2.905 1.00 0.16 H new ATOM 0 HB VAL A 65 8.499 -5.719 -1.156 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.080 -6.254 -1.063 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.625 -6.049 -2.745 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.356 -7.681 -2.089 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.642 -7.183 0.654 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.922 -8.612 -0.369 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.300 -7.638 0.196 1.00 0.18 H new ATOM 1006 N ALA A 66 10.049 -5.294 -3.349 1.00 0.16 N ATOM 1007 CA ALA A 66 10.314 -4.255 -4.381 1.00 0.18 C ATOM 1008 C ALA A 66 11.010 -4.906 -5.578 1.00 0.19 C ATOM 1009 O ALA A 66 10.855 -4.483 -6.706 1.00 0.20 O ATOM 1010 CB ALA A 66 11.218 -3.165 -3.793 1.00 0.22 C ATOM 0 H ALA A 66 10.542 -5.163 -2.466 1.00 0.16 H new ATOM 0 HA ALA A 66 9.373 -3.807 -4.701 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.411 -2.405 -4.550 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.725 -2.706 -2.936 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.162 -3.608 -3.474 1.00 0.22 H new ATOM 1016 N SER A 67 11.781 -5.934 -5.338 1.00 0.21 N ATOM 1017 CA SER A 67 12.490 -6.609 -6.459 1.00 0.26 C ATOM 1018 C SER A 67 11.460 -7.227 -7.411 1.00 0.26 C ATOM 1019 O SER A 67 11.472 -6.984 -8.602 1.00 0.29 O ATOM 1020 CB SER A 67 13.399 -7.711 -5.909 1.00 0.31 C ATOM 1021 OG SER A 67 14.593 -7.125 -5.409 1.00 1.29 O ATOM 0 H SER A 67 11.949 -6.333 -4.415 1.00 0.21 H new ATOM 0 HA SER A 67 13.095 -5.878 -6.995 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.889 -8.258 -5.116 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.634 -8.431 -6.693 1.00 0.31 H new ATOM 0 HG SER A 67 14.597 -7.174 -4.430 1.00 1.29 H new ATOM 1027 N GLU A 68 10.577 -8.034 -6.889 1.00 0.26 N ATOM 1028 CA GLU A 68 9.547 -8.684 -7.751 1.00 0.30 C ATOM 1029 C GLU A 68 8.641 -7.621 -8.377 1.00 0.31 C ATOM 1030 O GLU A 68 8.164 -7.776 -9.484 1.00 0.36 O ATOM 1031 CB GLU A 68 8.703 -9.633 -6.898 1.00 0.31 C ATOM 1032 CG GLU A 68 7.675 -10.346 -7.781 1.00 0.39 C ATOM 1033 CD GLU A 68 6.933 -11.399 -6.955 1.00 1.43 C ATOM 1034 OE1 GLU A 68 7.553 -12.386 -6.595 1.00 2.20 O ATOM 1035 OE2 GLU A 68 5.758 -11.200 -6.695 1.00 2.19 O ATOM 0 H GLU A 68 10.524 -8.272 -5.899 1.00 0.26 H new ATOM 0 HA GLU A 68 10.043 -9.242 -8.545 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.345 -10.365 -6.408 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.196 -9.076 -6.111 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.968 -9.624 -8.189 1.00 0.39 H new ATOM 0 HG3 GLU A 68 8.173 -10.818 -8.628 1.00 0.39 H new ATOM 1042 N ALA A 69 8.388 -6.546 -7.678 1.00 0.29 N ATOM 1043 CA ALA A 69 7.500 -5.481 -8.237 1.00 0.31 C ATOM 1044 C ALA A 69 8.329 -4.496 -9.071 1.00 0.29 C ATOM 1045 O ALA A 69 7.810 -3.540 -9.613 1.00 0.33 O ATOM 1046 CB ALA A 69 6.821 -4.736 -7.083 1.00 0.31 C ATOM 0 H ALA A 69 8.757 -6.358 -6.746 1.00 0.29 H new ATOM 0 HA ALA A 69 6.743 -5.936 -8.876 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.172 -3.958 -7.484 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.227 -5.437 -6.497 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.580 -4.282 -6.446 1.00 0.31 H new ATOM 1052 N GLU A 70 9.609 -4.729 -9.187 1.00 0.27 N ATOM 1053 CA GLU A 70 10.475 -3.813 -9.988 1.00 0.29 C ATOM 1054 C GLU A 70 10.150 -2.351 -9.657 1.00 0.25 C ATOM 1055 O GLU A 70 9.944 -1.537 -10.536 1.00 0.26 O ATOM 1056 CB GLU A 70 10.230 -4.059 -11.480 1.00 0.38 C ATOM 1057 CG GLU A 70 10.740 -5.450 -11.865 1.00 1.18 C ATOM 1058 CD GLU A 70 9.794 -6.514 -11.302 1.00 1.61 C ATOM 1059 OE1 GLU A 70 8.606 -6.415 -11.557 1.00 2.34 O ATOM 1060 OE2 GLU A 70 10.276 -7.409 -10.626 1.00 2.06 O ATOM 0 H GLU A 70 10.095 -5.518 -8.760 1.00 0.27 H new ATOM 0 HA GLU A 70 11.519 -4.010 -9.745 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.166 -3.977 -11.702 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.739 -3.298 -12.072 1.00 0.38 H new ATOM 0 HG2 GLU A 70 10.801 -5.539 -12.950 1.00 1.18 H new ATOM 0 HG3 GLU A 70 11.747 -5.601 -11.476 1.00 1.18 H new ATOM 1067 N VAL A 71 10.121 -2.008 -8.398 1.00 0.22 N ATOM 1068 CA VAL A 71 9.824 -0.596 -8.012 1.00 0.19 C ATOM 1069 C VAL A 71 11.092 0.246 -8.194 1.00 0.23 C ATOM 1070 O VAL A 71 12.157 -0.124 -7.741 1.00 0.28 O ATOM 1071 CB VAL A 71 9.379 -0.543 -6.550 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.798 0.837 -6.253 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.302 -1.604 -6.306 1.00 0.19 C ATOM 0 H VAL A 71 10.290 -2.644 -7.618 1.00 0.22 H new ATOM 0 HA VAL A 71 9.025 -0.203 -8.641 1.00 0.19 H new ATOM 0 HB VAL A 71 10.234 -0.733 -5.901 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.479 0.881 -5.212 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.558 1.598 -6.432 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.942 1.019 -6.903 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.984 -1.567 -5.264 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.447 -1.410 -6.953 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.707 -2.591 -6.527 1.00 0.19 H new ATOM 1083 N LYS A 72 10.988 1.368 -8.867 1.00 0.24 N ATOM 1084 CA LYS A 72 12.189 2.238 -9.097 1.00 0.29 C ATOM 1085 C LYS A 72 11.869 3.688 -8.711 1.00 0.26 C ATOM 1086 O LYS A 72 12.656 4.585 -8.940 1.00 0.27 O ATOM 1087 CB LYS A 72 12.575 2.179 -10.578 1.00 0.35 C ATOM 1088 CG LYS A 72 13.141 0.793 -10.902 1.00 0.43 C ATOM 1089 CD LYS A 72 13.383 0.681 -12.410 1.00 1.16 C ATOM 1090 CE LYS A 72 14.119 -0.626 -12.720 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.184 -1.774 -12.549 1.00 2.40 N ATOM 0 H LYS A 72 10.120 1.721 -9.269 1.00 0.24 H new ATOM 0 HA LYS A 72 13.016 1.881 -8.483 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.704 2.383 -11.201 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.314 2.948 -10.803 1.00 0.35 H new ATOM 0 HG2 LYS A 72 14.073 0.633 -10.360 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.446 0.019 -10.576 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.433 0.710 -12.943 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.970 1.531 -12.758 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.505 -0.606 -13.739 1.00 1.66 H new ATOM 0 HE3 LYS A 72 14.977 -0.739 -12.057 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 13.651 -2.651 -12.856 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.916 -1.857 -11.548 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 12.332 -1.616 -13.124 1.00 2.40 H new ATOM 1105 N ALA A 73 10.725 3.925 -8.122 1.00 0.22 N ATOM 1106 CA ALA A 73 10.356 5.319 -7.711 1.00 0.20 C ATOM 1107 C ALA A 73 9.397 5.248 -6.513 1.00 0.18 C ATOM 1108 O ALA A 73 8.469 4.472 -6.520 1.00 0.16 O ATOM 1109 CB ALA A 73 9.672 6.035 -8.887 1.00 0.21 C ATOM 0 H ALA A 73 10.027 3.213 -7.906 1.00 0.22 H new ATOM 0 HA ALA A 73 11.251 5.874 -7.429 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.403 7.049 -8.589 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.355 6.075 -9.736 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.772 5.490 -9.171 1.00 0.21 H new ATOM 1115 N THR A 74 9.614 6.045 -5.485 1.00 0.18 N ATOM 1116 CA THR A 74 8.703 6.010 -4.284 1.00 0.17 C ATOM 1117 C THR A 74 8.063 7.401 -4.101 1.00 0.17 C ATOM 1118 O THR A 74 8.689 8.391 -4.423 1.00 0.19 O ATOM 1119 CB THR A 74 9.520 5.684 -3.014 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.648 6.536 -2.955 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.006 4.221 -3.008 1.00 0.19 C ATOM 0 H THR A 74 10.380 6.716 -5.425 1.00 0.18 H new ATOM 0 HA THR A 74 7.938 5.249 -4.438 1.00 0.17 H new ATOM 0 HB THR A 74 8.871 5.835 -2.151 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.169 6.334 -2.150 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.577 4.031 -2.099 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.146 3.552 -3.043 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.639 4.044 -3.877 1.00 0.19 H new ATOM 1129 N PRO A 75 6.858 7.466 -3.554 1.00 0.17 N ATOM 1130 CA PRO A 75 6.047 6.291 -3.142 1.00 0.16 C ATOM 1131 C PRO A 75 5.407 5.615 -4.365 1.00 0.14 C ATOM 1132 O PRO A 75 5.011 6.274 -5.307 1.00 0.14 O ATOM 1133 CB PRO A 75 4.951 6.889 -2.228 1.00 0.17 C ATOM 1134 CG PRO A 75 4.997 8.434 -2.397 1.00 0.20 C ATOM 1135 CD PRO A 75 6.229 8.770 -3.267 1.00 0.19 C ATOM 0 HA PRO A 75 6.646 5.529 -2.643 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.970 6.502 -2.502 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.124 6.611 -1.188 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.084 8.795 -2.870 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.068 8.924 -1.426 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.937 9.279 -4.186 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.916 9.433 -2.740 1.00 0.19 H new ATOM 1143 N THR A 76 5.280 4.307 -4.340 1.00 0.13 N ATOM 1144 CA THR A 76 4.635 3.578 -5.483 1.00 0.12 C ATOM 1145 C THR A 76 3.348 2.949 -4.964 1.00 0.12 C ATOM 1146 O THR A 76 3.373 2.164 -4.039 1.00 0.18 O ATOM 1147 CB THR A 76 5.558 2.457 -6.003 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.901 2.895 -5.951 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.198 2.116 -7.455 1.00 0.13 C ATOM 0 H THR A 76 5.596 3.711 -3.575 1.00 0.13 H new ATOM 0 HA THR A 76 4.440 4.275 -6.298 1.00 0.12 H new ATOM 0 HB THR A 76 5.431 1.571 -5.380 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.970 3.788 -6.349 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.854 1.324 -7.816 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.162 1.780 -7.504 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.322 3.002 -8.078 1.00 0.13 H new ATOM 1157 N PHE A 77 2.227 3.273 -5.547 1.00 0.09 N ATOM 1158 CA PHE A 77 0.948 2.669 -5.070 1.00 0.09 C ATOM 1159 C PHE A 77 0.578 1.519 -5.987 1.00 0.09 C ATOM 1160 O PHE A 77 0.410 1.682 -7.179 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.162 3.716 -5.071 1.00 0.10 C ATOM 1162 CG PHE A 77 0.139 4.720 -3.992 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.065 4.368 -2.647 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.637 5.995 -4.323 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.227 5.290 -1.626 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.927 6.921 -3.305 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.723 6.572 -1.957 1.00 0.12 C ATOM 0 H PHE A 77 2.139 3.924 -6.327 1.00 0.09 H new ATOM 0 HA PHE A 77 1.074 2.303 -4.051 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.220 4.207 -6.042 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.129 3.245 -4.893 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.446 3.389 -2.397 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.796 6.261 -5.357 1.00 0.14 H new ATOM 0 HE1 PHE A 77 0.073 5.020 -0.592 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.306 7.900 -3.558 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.945 7.283 -1.175 1.00 0.12 H new ATOM 1177 N GLN A 78 0.457 0.353 -5.424 1.00 0.07 N ATOM 1178 CA GLN A 78 0.106 -0.853 -6.219 1.00 0.07 C ATOM 1179 C GLN A 78 -1.204 -1.408 -5.674 1.00 0.06 C ATOM 1180 O GLN A 78 -1.408 -1.477 -4.478 1.00 0.07 O ATOM 1181 CB GLN A 78 1.221 -1.888 -6.062 1.00 0.08 C ATOM 1182 CG GLN A 78 2.575 -1.240 -6.383 1.00 0.12 C ATOM 1183 CD GLN A 78 3.604 -2.326 -6.710 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.689 -2.337 -6.165 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.307 -3.244 -7.587 1.00 1.03 N ATOM 0 H GLN A 78 0.589 0.181 -4.427 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.006 -0.609 -7.275 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.226 -2.280 -5.045 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.044 -2.732 -6.728 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.471 -0.558 -7.227 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.915 -0.647 -5.534 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.396 -3.236 -8.045 1.00 1.03 H new ATOM 0 HE22 GLN A 78 3.986 -3.970 -7.815 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.103 -1.772 -6.545 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.429 -2.294 -6.098 1.00 0.07 C ATOM 1196 C PHE A 79 -3.524 -3.783 -6.399 1.00 0.07 C ATOM 1197 O PHE A 79 -3.319 -4.219 -7.515 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.531 -1.542 -6.847 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.479 -0.083 -6.453 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.411 0.716 -6.888 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.477 0.472 -5.636 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.337 2.070 -6.514 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.406 1.822 -5.252 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.336 2.623 -5.691 1.00 0.11 C ATOM 0 H PHE A 79 -1.977 -1.731 -7.556 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.543 -2.145 -5.024 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.395 -1.647 -7.923 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.507 -1.964 -6.606 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.641 0.289 -7.514 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.301 -0.140 -5.302 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.517 2.683 -6.857 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.173 2.245 -4.620 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.281 3.661 -5.397 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.841 -4.563 -5.399 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.966 -6.037 -5.582 1.00 0.08 C ATOM 1216 C PHE A 80 -5.336 -6.475 -5.078 1.00 0.11 C ATOM 1217 O PHE A 80 -5.959 -5.809 -4.272 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.877 -6.752 -4.778 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.527 -6.515 -5.416 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.128 -7.280 -6.529 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.662 -5.533 -4.893 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.133 -7.062 -7.119 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.597 -5.317 -5.482 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.995 -6.080 -6.593 1.00 0.14 C ATOM 0 H PHE A 80 -4.021 -4.235 -4.450 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.854 -6.290 -6.636 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.873 -6.387 -3.751 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.086 -7.821 -4.736 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.789 -8.034 -6.931 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.966 -4.946 -4.039 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.438 -7.647 -7.974 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.259 -4.564 -5.080 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.962 -5.913 -7.044 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.815 -7.586 -5.551 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.148 -8.075 -5.113 1.00 0.14 C ATOM 1236 C LYS A 81 -7.178 -9.590 -5.312 1.00 0.14 C ATOM 1237 O LYS A 81 -6.893 -10.082 -6.383 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.231 -7.393 -5.964 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.585 -7.437 -5.248 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.574 -6.539 -5.996 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.903 -6.501 -5.242 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.602 -7.806 -5.408 1.00 1.48 N ATOM 0 H LYS A 81 -5.337 -8.182 -6.227 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.333 -7.841 -4.065 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.950 -6.358 -6.159 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.308 -7.890 -6.931 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.959 -8.460 -5.212 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.477 -7.101 -4.217 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.168 -5.532 -6.089 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.729 -6.915 -7.007 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.729 -6.301 -4.185 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.526 -5.691 -5.621 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.573 -7.640 -5.741 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.092 -8.387 -6.104 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.629 -8.304 -4.495 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.498 -10.333 -4.288 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.521 -11.818 -4.423 1.00 0.20 C ATOM 1258 C LYS A 82 -6.165 -12.318 -4.941 1.00 0.20 C ATOM 1259 O LYS A 82 -6.074 -13.376 -5.534 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.627 -12.234 -5.405 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.986 -12.229 -4.701 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.097 -12.351 -5.747 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.461 -12.310 -5.056 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.697 -13.599 -4.348 1.00 1.67 N ATOM 0 H LYS A 82 -7.744 -9.977 -3.364 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.718 -12.258 -3.446 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.646 -11.550 -6.254 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.418 -13.228 -5.801 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -10.045 -13.056 -3.993 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.109 -11.310 -4.129 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -11.020 -11.539 -6.470 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.987 -13.283 -6.302 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.497 -11.482 -4.348 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -13.248 -12.137 -5.790 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -13.703 -13.678 -4.097 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.432 -14.390 -4.969 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -12.121 -13.630 -3.483 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.110 -11.584 -4.714 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.768 -12.041 -5.188 1.00 0.21 C ATOM 1280 C GLY A 83 -3.547 -11.623 -6.645 1.00 0.19 C ATOM 1281 O GLY A 83 -2.571 -12.003 -7.261 1.00 0.22 O ATOM 0 H GLY A 83 -5.117 -10.690 -4.223 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.988 -11.614 -4.558 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.693 -13.125 -5.098 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.447 -10.851 -7.202 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.301 -10.408 -8.632 1.00 0.17 C ATOM 1287 C GLN A 84 -4.093 -8.889 -8.691 1.00 0.16 C ATOM 1288 O GLN A 84 -4.623 -8.148 -7.887 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.573 -10.764 -9.403 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.868 -12.260 -9.254 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.287 -12.552 -9.747 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.471 -13.136 -10.796 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.305 -12.169 -9.026 1.00 2.08 N ATOM 0 H GLN A 84 -5.282 -10.505 -6.729 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.441 -10.910 -9.075 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.413 -10.179 -9.027 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.454 -10.511 -10.456 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.146 -12.843 -9.826 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.765 -12.560 -8.211 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.150 -11.679 -8.145 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -9.255 -12.360 -9.343 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.328 -8.421 -9.647 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.085 -6.950 -9.769 1.00 0.17 C ATOM 1304 C LYS A 85 -4.209 -6.312 -10.589 1.00 0.16 C ATOM 1305 O LYS A 85 -4.720 -6.904 -11.519 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.745 -6.709 -10.473 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.520 -5.199 -10.645 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.033 -4.916 -10.898 1.00 0.30 C ATOM 1309 CE LYS A 85 0.425 -5.635 -12.173 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.660 -4.980 -12.693 1.00 1.70 N ATOM 0 H LYS A 85 -2.861 -8.995 -10.349 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.060 -6.504 -8.775 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.933 -7.144 -9.891 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.739 -7.201 -11.445 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.116 -4.827 -11.478 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.853 -4.669 -9.752 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.130 -3.843 -10.996 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.560 -5.252 -10.047 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.619 -6.686 -11.961 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.363 -5.601 -12.926 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.645 -4.987 -13.733 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.701 -3.998 -12.354 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.496 -5.498 -12.355 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.607 -5.108 -10.241 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.709 -4.418 -10.987 1.00 0.16 C ATOM 1326 C VAL A 86 -5.243 -3.037 -11.469 1.00 0.18 C ATOM 1327 O VAL A 86 -5.735 -2.527 -12.456 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.922 -4.251 -10.064 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.511 -5.626 -9.740 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.497 -3.561 -8.765 1.00 0.17 C ATOM 0 H VAL A 86 -4.213 -4.572 -9.468 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.982 -5.022 -11.852 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.672 -3.640 -10.567 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.373 -5.507 -9.084 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.822 -6.115 -10.663 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.758 -6.236 -9.242 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.364 -3.446 -8.114 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.743 -4.166 -8.262 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.081 -2.580 -8.993 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.308 -2.422 -10.792 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.841 -1.074 -11.243 1.00 0.18 C ATOM 1342 C GLY A 87 -2.641 -0.618 -10.409 1.00 0.10 C ATOM 1343 O GLY A 87 -2.208 -1.297 -9.500 1.00 0.08 O ATOM 0 H GLY A 87 -3.852 -2.788 -9.956 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.566 -1.111 -12.297 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.652 -0.351 -11.150 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.096 0.533 -10.718 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.922 1.035 -9.945 1.00 0.10 C ATOM 1349 C GLU A 88 -0.559 2.453 -10.392 1.00 0.10 C ATOM 1350 O GLU A 88 -0.812 2.849 -11.513 1.00 0.11 O ATOM 1351 CB GLU A 88 0.277 0.113 -10.184 1.00 0.17 C ATOM 1352 CG GLU A 88 0.407 -0.190 -11.682 1.00 0.25 C ATOM 1353 CD GLU A 88 1.805 -0.738 -11.977 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.021 -1.914 -11.739 1.00 1.94 O ATOM 1355 OE2 GLU A 88 2.636 0.029 -12.436 1.00 2.04 O ATOM 0 H GLU A 88 -2.414 1.144 -11.470 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.178 1.048 -8.886 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.189 0.585 -9.818 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.152 -0.814 -9.625 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.349 -0.915 -11.983 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.231 0.715 -12.263 1.00 0.25 H new ATOM 1362 N PHE A 89 0.055 3.210 -9.523 1.00 0.09 N ATOM 1363 CA PHE A 89 0.465 4.598 -9.894 1.00 0.09 C ATOM 1364 C PHE A 89 1.394 5.175 -8.819 1.00 0.09 C ATOM 1365 O PHE A 89 1.123 5.097 -7.642 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.776 5.495 -10.094 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.376 5.951 -8.771 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.720 6.924 -7.984 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.608 5.417 -8.334 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.290 7.351 -6.770 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.175 5.849 -7.120 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.517 6.814 -6.338 1.00 0.11 C ATOM 0 H PHE A 89 0.291 2.928 -8.571 1.00 0.09 H new ATOM 0 HA PHE A 89 1.009 4.566 -10.838 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.500 6.368 -10.686 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.529 4.949 -10.663 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.220 7.341 -8.314 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.116 4.676 -8.932 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.785 8.092 -6.169 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.117 5.438 -6.789 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.953 7.143 -5.406 1.00 0.11 H new ATOM 1382 N SER A 90 2.489 5.769 -9.224 1.00 0.13 N ATOM 1383 CA SER A 90 3.446 6.372 -8.241 1.00 0.14 C ATOM 1384 C SER A 90 3.297 7.896 -8.292 1.00 0.14 C ATOM 1385 O SER A 90 2.443 8.419 -8.980 1.00 0.17 O ATOM 1386 CB SER A 90 4.874 5.986 -8.629 1.00 0.15 C ATOM 1387 OG SER A 90 5.327 6.846 -9.666 1.00 0.16 O ATOM 0 H SER A 90 2.764 5.863 -10.202 1.00 0.13 H new ATOM 0 HA SER A 90 3.235 6.009 -7.235 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.532 6.063 -7.763 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.905 4.948 -8.962 1.00 0.15 H new ATOM 0 HG SER A 90 5.857 7.574 -9.279 1.00 0.16 H new ATOM 1393 N GLY A 91 4.121 8.614 -7.574 1.00 0.12 N ATOM 1394 CA GLY A 91 4.032 10.110 -7.581 1.00 0.13 C ATOM 1395 C GLY A 91 3.246 10.583 -6.359 1.00 0.13 C ATOM 1396 O GLY A 91 2.204 10.051 -6.032 1.00 0.13 O ATOM 0 H GLY A 91 4.856 8.230 -6.980 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.032 10.544 -7.573 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.544 10.451 -8.494 1.00 0.13 H new ATOM 1400 N ALA A 92 3.742 11.574 -5.672 1.00 0.15 N ATOM 1401 CA ALA A 92 3.025 12.073 -4.465 1.00 0.17 C ATOM 1402 C ALA A 92 1.610 12.524 -4.841 1.00 0.15 C ATOM 1403 O ALA A 92 1.381 13.679 -5.139 1.00 0.16 O ATOM 1404 CB ALA A 92 3.796 13.261 -3.865 1.00 0.20 C ATOM 0 H ALA A 92 4.611 12.059 -5.893 1.00 0.15 H new ATOM 0 HA ALA A 92 2.960 11.268 -3.733 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.272 13.626 -2.982 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.799 12.939 -3.584 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.864 14.060 -4.603 1.00 0.20 H new ATOM 1410 N ASN A 93 0.654 11.632 -4.797 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.755 12.016 -5.116 1.00 0.13 C ATOM 1412 C ASN A 93 -1.686 11.299 -4.137 1.00 0.12 C ATOM 1413 O ASN A 93 -2.381 10.364 -4.484 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.102 11.618 -6.556 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.294 12.450 -7.029 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.246 12.641 -6.298 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.278 12.966 -8.223 1.00 1.15 N ATOM 0 H ASN A 93 0.789 10.651 -4.553 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.873 13.096 -5.022 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.245 11.783 -7.209 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.341 10.556 -6.606 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.064 13.531 -8.545 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.479 12.806 -8.837 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.690 11.731 -2.911 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.553 11.082 -1.885 1.00 0.20 C ATOM 1426 C LYS A 94 -4.031 11.285 -2.213 1.00 0.18 C ATOM 1427 O LYS A 94 -4.856 10.438 -1.941 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.259 11.684 -0.516 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.393 13.228 -0.557 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.268 13.885 0.273 1.00 0.88 C ATOM 1431 CE LYS A 94 -1.709 15.255 0.793 1.00 0.78 C ATOM 1432 NZ LYS A 94 -1.617 16.264 -0.300 1.00 1.19 N ATOM 0 H LYS A 94 -1.129 12.512 -2.571 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.336 10.014 -1.879 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -2.947 11.274 0.223 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.252 11.409 -0.201 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.345 13.577 -1.589 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -3.365 13.526 -0.165 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -1.004 13.240 1.111 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.373 13.994 -0.340 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -2.732 15.201 1.165 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -1.081 15.555 1.631 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 -1.918 17.193 0.059 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -0.634 16.324 -0.635 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -2.235 15.980 -1.087 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.379 12.401 -2.778 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.808 12.641 -3.101 1.00 0.20 C ATOM 1448 C GLU A 95 -6.260 11.625 -4.158 1.00 0.17 C ATOM 1449 O GLU A 95 -7.420 11.274 -4.243 1.00 0.18 O ATOM 1450 CB GLU A 95 -5.961 14.069 -3.634 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.009 15.056 -2.465 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.123 16.482 -3.004 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -5.560 16.744 -4.054 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -6.774 17.288 -2.360 1.00 1.86 O ATOM 0 H GLU A 95 -3.740 13.155 -3.030 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.425 12.523 -2.210 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.128 14.312 -4.293 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -6.871 14.150 -4.228 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.859 14.831 -1.820 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.111 14.957 -1.855 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.344 11.145 -4.953 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.702 10.143 -5.998 1.00 0.14 C ATOM 1463 C LYS A 96 -6.084 8.826 -5.321 1.00 0.12 C ATOM 1464 O LYS A 96 -6.960 8.119 -5.774 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.501 9.929 -6.927 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.821 8.854 -7.974 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.654 8.718 -8.974 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.798 9.737 -10.114 1.00 1.18 C ATOM 1469 NZ LYS A 96 -4.921 9.334 -11.006 1.00 2.05 N ATOM 0 H LYS A 96 -4.358 11.405 -4.924 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.547 10.502 -6.585 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.246 10.865 -7.424 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.630 9.630 -6.344 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.000 7.898 -7.481 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.736 9.115 -8.506 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.706 8.872 -8.458 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.634 7.708 -9.382 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.983 10.731 -9.706 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -2.870 9.794 -10.684 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.787 9.758 -11.946 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -4.941 8.298 -11.093 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -5.821 9.665 -10.602 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.439 8.489 -4.235 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.781 7.218 -3.536 1.00 0.11 C ATOM 1485 C LEU A 97 -7.293 7.170 -3.306 1.00 0.11 C ATOM 1486 O LEU A 97 -7.913 6.127 -3.367 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.081 7.174 -2.172 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.605 6.807 -2.336 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.915 6.998 -0.979 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.468 5.339 -2.815 1.00 0.13 C ATOM 0 H LEU A 97 -4.694 9.037 -3.805 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.459 6.373 -4.144 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.168 8.143 -1.681 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.573 6.445 -1.528 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.137 7.446 -3.085 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.859 6.742 -1.069 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.011 8.037 -0.665 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.384 6.350 -0.238 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.413 5.090 -2.928 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.921 4.673 -2.081 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.973 5.220 -3.773 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.882 8.297 -3.030 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.351 8.327 -2.779 1.00 0.14 C ATOM 1504 C GLU A 98 -10.092 7.934 -4.059 1.00 0.13 C ATOM 1505 O GLU A 98 -10.856 6.990 -4.083 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.771 9.740 -2.362 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.268 9.760 -2.041 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.673 11.158 -1.568 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.665 12.065 -2.385 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -11.986 11.298 -0.397 1.00 2.15 O ATOM 0 H GLU A 98 -7.412 9.200 -2.967 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.598 7.625 -1.982 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.198 10.058 -1.491 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.551 10.446 -3.163 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.843 9.483 -2.924 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.495 9.024 -1.269 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.878 8.663 -5.119 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.572 8.350 -6.399 1.00 0.14 C ATOM 1519 C ALA A 99 -10.231 6.930 -6.855 1.00 0.12 C ATOM 1520 O ALA A 99 -11.084 6.200 -7.316 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.127 9.347 -7.471 1.00 0.15 C ATOM 0 H ALA A 99 -9.249 9.466 -5.154 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.649 8.423 -6.246 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.633 9.122 -8.410 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.382 10.359 -7.155 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.049 9.272 -7.612 1.00 0.15 H new ATOM 1527 N THR A 100 -8.991 6.535 -6.745 1.00 0.11 N ATOM 1528 CA THR A 100 -8.598 5.167 -7.191 1.00 0.11 C ATOM 1529 C THR A 100 -9.232 4.110 -6.284 1.00 0.10 C ATOM 1530 O THR A 100 -9.810 3.150 -6.752 1.00 0.11 O ATOM 1531 CB THR A 100 -7.074 5.033 -7.139 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.482 6.132 -7.815 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.651 3.728 -7.814 1.00 0.12 C ATOM 0 H THR A 100 -8.232 7.101 -6.365 1.00 0.11 H new ATOM 0 HA THR A 100 -8.948 5.014 -8.212 1.00 0.11 H new ATOM 0 HB THR A 100 -6.744 5.024 -6.100 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.593 6.944 -7.278 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.566 3.634 -7.776 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.107 2.885 -7.294 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.979 3.733 -8.854 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.134 4.272 -4.995 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.740 3.259 -4.081 1.00 0.11 C ATOM 1543 C ILE A 101 -11.252 3.233 -4.308 1.00 0.13 C ATOM 1544 O ILE A 101 -11.839 2.188 -4.497 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.426 3.623 -2.617 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -7.933 3.360 -2.338 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.288 2.759 -1.677 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.463 4.158 -1.113 1.00 0.18 C ATOM 0 H ILE A 101 -8.666 5.053 -4.536 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.324 2.273 -4.289 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.649 4.676 -2.444 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -7.771 2.295 -2.169 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.340 3.638 -3.209 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.066 3.016 -0.641 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.343 2.943 -1.879 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.065 1.705 -1.845 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.407 3.959 -0.932 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.605 5.223 -1.296 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.043 3.859 -0.240 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.887 4.370 -4.293 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.361 4.400 -4.506 1.00 0.17 C ATOM 1562 C ASN A 102 -13.693 3.796 -5.872 1.00 0.18 C ATOM 1563 O ASN A 102 -14.820 3.431 -6.144 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.850 5.851 -4.455 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.371 5.875 -4.296 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -15.884 5.673 -3.213 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.120 6.117 -5.336 1.00 1.03 N ATOM 0 H ASN A 102 -11.451 5.280 -4.143 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.855 3.821 -3.726 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.379 6.375 -3.623 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.561 6.375 -5.366 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.135 6.137 -5.240 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.690 6.287 -6.245 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.721 3.691 -6.735 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.977 3.117 -8.086 1.00 0.18 C ATOM 1576 C GLU A 103 -13.082 1.591 -7.996 1.00 0.19 C ATOM 1577 O GLU A 103 -14.098 1.006 -8.315 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.821 3.491 -9.022 1.00 0.17 C ATOM 1579 CG GLU A 103 -12.263 3.330 -10.479 1.00 0.22 C ATOM 1580 CD GLU A 103 -11.065 3.554 -11.404 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -10.226 2.670 -11.479 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -11.006 4.604 -12.021 1.00 2.01 O ATOM 0 H GLU A 103 -11.758 3.979 -6.563 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.913 3.518 -8.474 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.510 4.519 -8.838 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.958 2.856 -8.821 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.676 2.334 -10.637 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -13.054 4.044 -10.711 1.00 0.22 H new ATOM 1589 N LEU A 104 -12.025 0.945 -7.584 1.00 0.17 N ATOM 1590 CA LEU A 104 -12.032 -0.546 -7.493 1.00 0.19 C ATOM 1591 C LEU A 104 -12.457 -0.996 -6.091 1.00 0.19 C ATOM 1592 O LEU A 104 -12.180 -2.105 -5.681 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.623 -1.068 -7.788 1.00 0.17 C ATOM 1594 CG LEU A 104 -10.133 -0.523 -9.135 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.663 -0.912 -9.325 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.984 -1.102 -10.281 1.00 0.35 C ATOM 0 H LEU A 104 -11.150 1.388 -7.304 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.742 -0.945 -8.218 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.940 -0.765 -6.994 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.627 -2.158 -7.807 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.229 0.563 -9.147 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -8.306 -0.529 -10.281 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -8.067 -0.487 -8.518 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.569 -1.998 -9.312 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.628 -0.709 -11.233 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.900 -2.189 -10.283 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -12.027 -0.819 -10.139 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.131 -0.156 -5.353 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.568 -0.567 -3.986 1.00 0.22 C ATOM 1610 C VAL A 105 -14.542 -1.742 -4.100 1.00 0.26 C ATOM 1611 O VAL A 105 -14.396 -2.683 -3.338 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.262 0.606 -3.282 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.403 1.134 -4.157 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -14.821 0.134 -1.931 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.416 -1.682 -4.949 1.00 1.18 O ATOM 0 H VAL A 105 -13.396 0.788 -5.633 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.696 -0.865 -3.404 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.540 1.406 -3.116 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -15.893 1.967 -3.653 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.002 1.473 -5.112 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.127 0.338 -4.330 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.314 0.967 -1.430 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.541 -0.668 -2.095 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.005 -0.232 -1.308 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.799 0.537 6.252 1.00 0.00 N ATOM 1627 CA PHE B 1 22.324 1.720 5.482 1.00 0.00 C ATOM 1628 C PHE B 1 21.047 1.351 4.716 1.00 0.00 C ATOM 1629 O PHE B 1 20.920 0.254 4.208 1.00 0.00 O ATOM 1630 CB PHE B 1 23.423 2.163 4.503 1.00 0.00 C ATOM 1631 CG PHE B 1 23.489 1.211 3.327 1.00 0.00 C ATOM 1632 CD1 PHE B 1 22.653 1.417 2.216 1.00 0.00 C ATOM 1633 CD2 PHE B 1 24.381 0.122 3.345 1.00 0.00 C ATOM 1634 CE1 PHE B 1 22.704 0.539 1.120 1.00 0.00 C ATOM 1635 CE2 PHE B 1 24.434 -0.760 2.248 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.596 -0.551 1.135 1.00 0.00 C ATOM 0 H1 PHE B 1 23.337 0.857 7.083 1.00 0.00 H new ATOM 0 H2 PHE B 1 21.982 -0.025 6.564 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.411 -0.048 5.648 1.00 0.00 H new ATOM 0 HA PHE B 1 22.102 2.541 6.163 1.00 0.00 H new ATOM 0 HB2 PHE B 1 23.221 3.174 4.151 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.386 2.190 5.013 1.00 0.00 H new ATOM 0 HD1 PHE B 1 21.969 2.253 2.205 1.00 0.00 H new ATOM 0 HD2 PHE B 1 25.024 -0.037 4.198 1.00 0.00 H new ATOM 0 HE1 PHE B 1 22.060 0.700 0.268 1.00 0.00 H new ATOM 0 HE2 PHE B 1 25.117 -1.596 2.260 1.00 0.00 H new ATOM 0 HZ PHE B 1 23.638 -1.226 0.293 1.00 0.00 H new ATOM 1648 N ARG B 2 20.106 2.261 4.627 1.00 0.00 N ATOM 1649 CA ARG B 2 18.830 1.977 3.893 1.00 0.00 C ATOM 1650 C ARG B 2 18.692 2.956 2.726 1.00 0.00 C ATOM 1651 O ARG B 2 18.026 3.967 2.835 1.00 0.00 O ATOM 1652 CB ARG B 2 17.638 2.165 4.837 1.00 0.00 C ATOM 1653 CG ARG B 2 17.773 1.239 6.055 1.00 0.00 C ATOM 1654 CD ARG B 2 17.412 -0.222 5.688 1.00 0.00 C ATOM 1655 NE ARG B 2 16.360 -0.733 6.625 1.00 0.00 N ATOM 1656 CZ ARG B 2 16.495 -0.624 7.919 1.00 0.00 C ATOM 1657 NH1 ARG B 2 17.588 -0.123 8.424 1.00 0.00 N ATOM 1658 NH2 ARG B 2 15.540 -1.033 8.709 1.00 0.00 N ATOM 0 H ARG B 2 20.167 3.194 5.034 1.00 0.00 H new ATOM 0 HA ARG B 2 18.848 0.952 3.524 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.585 3.203 5.165 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.709 1.950 4.309 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.794 1.280 6.435 1.00 0.00 H new ATOM 0 HG3 ARG B 2 17.120 1.588 6.855 1.00 0.00 H new ATOM 0 HD2 ARG B 2 17.052 -0.271 4.660 1.00 0.00 H new ATOM 0 HD3 ARG B 2 18.300 -0.851 5.745 1.00 0.00 H new ATOM 0 HE ARG B 2 15.523 -1.174 6.245 1.00 0.00 H new ATOM 0 HH11 ARG B 2 18.340 0.185 7.808 1.00 0.00 H new ATOM 0 HH12 ARG B 2 17.691 -0.039 9.435 1.00 0.00 H new ATOM 0 HH21 ARG B 2 14.690 -1.437 8.315 1.00 0.00 H new ATOM 0 HH22 ARG B 2 15.643 -0.949 9.720 1.00 0.00 H new ATOM 1672 N PHE B 3 19.311 2.667 1.609 1.00 0.00 N ATOM 1673 CA PHE B 3 19.215 3.580 0.426 1.00 0.00 C ATOM 1674 C PHE B 3 18.910 2.752 -0.820 1.00 0.00 C ATOM 1675 O PHE B 3 19.336 1.622 -0.947 1.00 0.00 O ATOM 1676 CB PHE B 3 20.545 4.321 0.239 1.00 0.00 C ATOM 1677 CG PHE B 3 20.621 5.481 1.208 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.888 5.247 2.570 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.424 6.796 0.746 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.959 6.326 3.469 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.495 7.876 1.645 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.763 7.642 3.007 1.00 0.00 C ATOM 0 H PHE B 3 19.882 1.834 1.464 1.00 0.00 H new ATOM 0 HA PHE B 3 18.419 4.308 0.587 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.379 3.639 0.406 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.630 4.684 -0.785 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.038 4.238 2.925 1.00 0.00 H new ATOM 0 HD2 PHE B 3 20.218 6.976 -0.299 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.164 6.146 4.514 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.344 8.885 1.290 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.818 8.471 3.697 1.00 0.00 H new ATOM 1692 N ARG B 4 18.168 3.308 -1.742 1.00 0.00 N ATOM 1693 CA ARG B 4 17.826 2.555 -2.984 1.00 0.00 C ATOM 1694 C ARG B 4 17.720 3.540 -4.165 1.00 0.00 C ATOM 1695 O ARG B 4 18.729 4.006 -4.657 1.00 0.00 O ATOM 1696 CB ARG B 4 16.504 1.805 -2.756 1.00 0.00 C ATOM 1697 CG ARG B 4 16.365 0.647 -3.766 1.00 0.00 C ATOM 1698 CD ARG B 4 16.992 -0.628 -3.195 1.00 0.00 C ATOM 1699 NE ARG B 4 17.184 -1.632 -4.294 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.189 -2.035 -5.043 1.00 0.00 C ATOM 1701 NH1 ARG B 4 14.958 -1.724 -4.738 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.426 -2.811 -6.065 1.00 0.00 N ATOM 0 H ARG B 4 17.784 4.251 -1.688 1.00 0.00 H new ATOM 0 HA ARG B 4 18.602 1.828 -3.222 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.470 1.415 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.665 2.492 -2.863 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.312 0.475 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.852 0.912 -4.704 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.950 -0.397 -2.729 1.00 0.00 H new ATOM 0 HD3 ARG B 4 16.351 -1.043 -2.417 1.00 0.00 H new ATOM 0 HE ARG B 4 18.116 -2.011 -4.462 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.764 -1.162 -3.909 1.00 0.00 H new ATOM 0 HH12 ARG B 4 14.190 -2.043 -5.329 1.00 0.00 H new ATOM 0 HH21 ARG B 4 17.381 -3.099 -6.276 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.656 -3.129 -6.653 1.00 0.00 H new ATOM 1716 N TYR B 5 16.527 3.870 -4.629 1.00 0.00 N ATOM 1717 CA TYR B 5 16.396 4.835 -5.778 1.00 0.00 C ATOM 1718 C TYR B 5 15.828 6.184 -5.298 1.00 0.00 C ATOM 1719 O TYR B 5 15.863 6.501 -4.126 1.00 0.00 O ATOM 1720 CB TYR B 5 15.528 4.223 -6.898 1.00 0.00 C ATOM 1721 CG TYR B 5 14.390 3.412 -6.339 1.00 0.00 C ATOM 1722 CD1 TYR B 5 13.169 4.036 -6.059 1.00 0.00 C ATOM 1723 CD2 TYR B 5 14.537 2.025 -6.137 1.00 0.00 C ATOM 1724 CE1 TYR B 5 12.094 3.280 -5.568 1.00 0.00 C ATOM 1725 CE2 TYR B 5 13.461 1.268 -5.640 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.237 1.898 -5.355 1.00 0.00 C ATOM 1727 OH TYR B 5 11.177 1.161 -4.868 1.00 0.00 O ATOM 0 H TYR B 5 15.644 3.514 -4.262 1.00 0.00 H new ATOM 0 HA TYR B 5 17.388 5.025 -6.188 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.132 5.019 -7.528 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.147 3.591 -7.534 1.00 0.00 H new ATOM 0 HD1 TYR B 5 13.054 5.098 -6.221 1.00 0.00 H new ATOM 0 HD2 TYR B 5 15.477 1.543 -6.364 1.00 0.00 H new ATOM 0 HE1 TYR B 5 11.152 3.762 -5.353 1.00 0.00 H new ATOM 0 HE2 TYR B 5 13.575 0.206 -5.478 1.00 0.00 H new ATOM 0 HH TYR B 5 11.507 0.310 -4.512 1.00 0.00 H new ATOM 1737 N VAL B 6 15.377 7.008 -6.212 1.00 0.00 N ATOM 1738 CA VAL B 6 14.887 8.375 -5.843 1.00 0.00 C ATOM 1739 C VAL B 6 13.500 8.354 -5.192 1.00 0.00 C ATOM 1740 O VAL B 6 12.661 7.531 -5.499 1.00 0.00 O ATOM 1741 CB VAL B 6 14.804 9.227 -7.118 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.829 10.714 -6.755 1.00 0.00 C ATOM 1743 CG2 VAL B 6 15.983 8.900 -8.027 1.00 0.00 C ATOM 0 H VAL B 6 15.327 6.791 -7.207 1.00 0.00 H new ATOM 0 HA VAL B 6 15.589 8.788 -5.119 1.00 0.00 H new ATOM 0 HB VAL B 6 13.872 9.004 -7.638 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.770 11.312 -7.665 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.980 10.946 -6.112 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.755 10.945 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.924 9.505 -8.932 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.915 9.117 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL B 6 15.954 7.844 -8.294 1.00 0.00 H new ATOM 1753 N CYS B 7 13.249 9.308 -4.323 1.00 0.00 N ATOM 1754 CA CYS B 7 11.910 9.431 -3.671 1.00 0.00 C ATOM 1755 C CYS B 7 11.139 10.550 -4.365 1.00 0.00 C ATOM 1756 O CYS B 7 11.300 11.713 -4.049 1.00 0.00 O ATOM 1757 CB CYS B 7 12.064 9.772 -2.183 1.00 0.00 C ATOM 1758 SG CYS B 7 13.359 8.757 -1.431 1.00 0.00 S ATOM 0 H CYS B 7 13.927 10.014 -4.037 1.00 0.00 H new ATOM 0 HA CYS B 7 11.377 8.484 -3.756 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.309 10.828 -2.069 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.119 9.607 -1.666 1.00 0.00 H new ATOM 1763 N GLU B 8 10.313 10.221 -5.318 1.00 0.00 N ATOM 1764 CA GLU B 8 9.556 11.285 -6.038 1.00 0.00 C ATOM 1765 C GLU B 8 8.291 11.666 -5.259 1.00 0.00 C ATOM 1766 O GLU B 8 7.236 11.873 -5.830 1.00 0.00 O ATOM 1767 CB GLU B 8 9.170 10.781 -7.429 1.00 0.00 C ATOM 1768 CG GLU B 8 8.679 9.337 -7.325 1.00 0.00 C ATOM 1769 CD GLU B 8 7.987 8.937 -8.629 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.107 9.676 -9.592 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.350 7.897 -8.643 1.00 0.00 O ATOM 0 H GLU B 8 10.129 9.267 -5.629 1.00 0.00 H new ATOM 0 HA GLU B 8 10.189 12.168 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.390 11.413 -7.854 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.027 10.838 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.518 8.670 -7.127 1.00 0.00 H new ATOM 0 HG3 GLU B 8 7.987 9.236 -6.488 1.00 0.00 H new ATOM 1778 N GLY B 9 8.390 11.797 -3.967 1.00 0.00 N ATOM 1779 CA GLY B 9 7.197 12.209 -3.183 1.00 0.00 C ATOM 1780 C GLY B 9 6.887 13.669 -3.568 1.00 0.00 C ATOM 1781 O GLY B 9 6.910 13.982 -4.743 1.00 0.00 O ATOM 0 H GLY B 9 9.239 11.638 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.348 11.563 -3.405 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.390 12.125 -2.114 1.00 0.00 H new ATOM 1785 N PRO B 10 6.629 14.546 -2.613 1.00 0.00 N ATOM 1786 CA PRO B 10 6.360 15.958 -2.949 1.00 0.00 C ATOM 1787 C PRO B 10 7.622 16.595 -3.554 1.00 0.00 C ATOM 1788 O PRO B 10 7.786 17.800 -3.548 1.00 0.00 O ATOM 1789 CB PRO B 10 5.977 16.625 -1.607 1.00 0.00 C ATOM 1790 CG PRO B 10 6.082 15.537 -0.499 1.00 0.00 C ATOM 1791 CD PRO B 10 6.563 14.230 -1.170 1.00 0.00 C ATOM 0 HA PRO B 10 5.566 16.075 -3.687 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.643 17.460 -1.389 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.966 17.028 -1.654 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.781 15.848 0.278 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.116 15.387 -0.017 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.537 13.925 -0.787 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.873 13.409 -0.976 1.00 0.00 H new ATOM 1799 N SER B 11 8.510 15.789 -4.075 1.00 0.00 N ATOM 1800 CA SER B 11 9.763 16.320 -4.682 1.00 0.00 C ATOM 1801 C SER B 11 9.543 16.556 -6.180 1.00 0.00 C ATOM 1802 O SER B 11 10.254 17.311 -6.810 1.00 0.00 O ATOM 1803 CB SER B 11 10.886 15.293 -4.489 1.00 0.00 C ATOM 1804 OG SER B 11 12.139 15.914 -4.744 1.00 0.00 O ATOM 0 H SER B 11 8.418 14.774 -4.105 1.00 0.00 H new ATOM 0 HA SER B 11 10.035 17.260 -4.203 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.863 14.898 -3.473 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.742 14.448 -5.163 1.00 0.00 H new ATOM 0 HG SER B 11 12.859 15.261 -4.620 1.00 0.00 H new ATOM 1810 N HIS B 12 8.563 15.910 -6.752 1.00 0.00 N ATOM 1811 CA HIS B 12 8.300 16.091 -8.208 1.00 0.00 C ATOM 1812 C HIS B 12 7.928 17.550 -8.486 1.00 0.00 C ATOM 1813 O HIS B 12 8.226 18.436 -7.710 1.00 0.00 O ATOM 1814 CB HIS B 12 7.148 15.171 -8.632 1.00 0.00 C ATOM 1815 CG HIS B 12 7.165 14.984 -10.126 1.00 0.00 C ATOM 1816 ND1 HIS B 12 8.099 15.610 -10.937 1.00 0.00 N ATOM 1817 CD2 HIS B 12 6.375 14.241 -10.968 1.00 0.00 C ATOM 1818 CE1 HIS B 12 7.849 15.236 -12.206 1.00 0.00 C ATOM 1819 NE2 HIS B 12 6.808 14.401 -12.280 1.00 0.00 N ATOM 0 H HIS B 12 7.934 15.265 -6.274 1.00 0.00 H new ATOM 0 HA HIS B 12 9.195 15.837 -8.776 1.00 0.00 H new ATOM 0 HB2 HIS B 12 7.240 14.205 -8.135 1.00 0.00 H new ATOM 0 HB3 HIS B 12 6.195 15.600 -8.321 1.00 0.00 H new ATOM 0 HD2 HIS B 12 5.543 13.626 -10.658 1.00 0.00 H new ATOM 0 HE1 HIS B 12 8.420 15.570 -13.060 1.00 0.00 H new ATOM 0 HE2 HIS B 12 6.415 13.973 -13.119 1.00 0.00 H new ATOM 1827 N GLY B 13 7.280 17.806 -9.590 1.00 0.00 N ATOM 1828 CA GLY B 13 6.891 19.206 -9.918 1.00 0.00 C ATOM 1829 C GLY B 13 8.146 20.072 -10.037 1.00 0.00 C ATOM 1830 O GLY B 13 8.009 21.235 -10.375 1.00 0.00 O ATOM 1831 OXT GLY B 13 9.223 19.556 -9.787 1.00 0.00 O ATOM 0 H GLY B 13 7.004 17.106 -10.278 1.00 0.00 H new ATOM 0 HA2 GLY B 13 6.331 19.229 -10.853 1.00 0.00 H new ATOM 0 HA3 GLY B 13 6.235 19.603 -9.143 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -6.918 -10.824 -1.555 1.00 0.24 O HETATM 1839 O HOH A 107 9.116 -3.376 4.955 1.00 0.40 O HETATM 1842 O HOH A 108 12.572 1.415 2.187 1.00 0.32 O HETATM 1845 O HOH A 109 -9.113 -8.753 -0.445 1.00 0.26 O HETATM 1848 O HOH A 110 -7.678 -12.908 0.493 1.00 0.21 O HETATM 1851 O HOH A 111 -12.031 -2.442 0.199 1.00 0.37 O