USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 SER OG : rot -30:sc= 1.22 USER MOD Set 1.2: A 46 HIS : no HD1:sc= -1.71 K(o=-0.49,f=-3.4!) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -170:sc= -0.224 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.308 F(o=-1.4!,f=-0.31) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc=-0.00317 (180deg=-0.0891) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0672 K(o=-0.067,f=-0.62) USER MOD Single : A 32 GLN : amide:sc= -1.55 K(o=-1.5,f=-7.6!) USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.0077 F(o=-0.72,f=-0.0077) USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -1.56 F(o=-2.5!,f=-1.6) USER MOD Single : A 51 SER OG : rot -144:sc= 1.26 USER MOD Single : A 55 HIS : no HE2:sc= -0.0251 K(o=-0.025,f=-1.9!) USER MOD Single : A 57 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.044) USER MOD Single : A 58 ASN :FLIP amide:sc= 0.00409 F(o=-0.66,f=0.0041) USER MOD Single : A 60 SER OG : rot -140:sc= 0.0241 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0237 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 0.848 K(o=0.85,f=-3!) USER MOD Single : A 68 GLN : amide:sc= -1.72 K(o=-1.7,f=-4.9!) USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.11) USER MOD Single : A 73 HIS : no HD1:sc= -0.0722 X(o=-0.072,f=-0.06) USER MOD Single : A 75 THR OG1 : rot 39:sc= 0.409 USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= -0.065 (180deg=-0.395) USER MOD Single : A 80 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.31) USER MOD Single : A 83 MET CE :methyl -147:sc= -0.474 (180deg=-2.17!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl -150:sc= 0 (180deg=-0.212) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 14.724 -13.676 2.481 1.00 0.00 N ATOM 2 CA PHE A 1 14.557 -12.207 2.469 1.00 0.00 C ATOM 3 C PHE A 1 13.081 -11.840 2.493 1.00 0.00 C ATOM 4 O PHE A 1 12.367 -12.030 1.508 1.00 0.00 O ATOM 5 CB PHE A 1 15.229 -11.598 1.234 1.00 0.00 C ATOM 6 CG PHE A 1 15.164 -10.096 1.189 1.00 0.00 C ATOM 7 CD1 PHE A 1 15.998 -9.328 1.984 1.00 0.00 C ATOM 8 CD2 PHE A 1 14.268 -9.455 0.348 1.00 0.00 C ATOM 9 CE1 PHE A 1 15.941 -7.949 1.943 1.00 0.00 C ATOM 10 CE2 PHE A 1 14.205 -8.076 0.303 1.00 0.00 C ATOM 11 CZ PHE A 1 15.043 -7.322 1.100 1.00 0.00 C ATOM 0 H1 PHE A 1 15.737 -13.910 2.464 1.00 0.00 H new ATOM 0 H2 PHE A 1 14.292 -14.067 3.342 1.00 0.00 H new ATOM 0 H3 PHE A 1 14.260 -14.085 1.645 1.00 0.00 H new ATOM 0 HA PHE A 1 15.035 -11.802 3.361 1.00 0.00 H new ATOM 0 HB2 PHE A 1 16.274 -11.908 1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 1 14.756 -12.000 0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 1 16.702 -9.813 2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 1 13.612 -10.040 -0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 1 16.597 -7.362 2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 1 13.501 -7.588 -0.355 1.00 0.00 H new ATOM 0 HZ PHE A 1 14.997 -6.244 1.065 1.00 0.00 H new ATOM 23 N LEU A 2 12.624 -11.320 3.618 1.00 0.00 N ATOM 24 CA LEU A 2 11.252 -10.856 3.738 1.00 0.00 C ATOM 25 C LEU A 2 11.248 -9.374 4.058 1.00 0.00 C ATOM 26 O LEU A 2 12.143 -8.885 4.746 1.00 0.00 O ATOM 27 CB LEU A 2 10.473 -11.631 4.816 1.00 0.00 C ATOM 28 CG LEU A 2 10.886 -11.368 6.271 1.00 0.00 C ATOM 29 CD1 LEU A 2 9.767 -11.778 7.218 1.00 0.00 C ATOM 30 CD2 LEU A 2 12.161 -12.121 6.617 1.00 0.00 C ATOM 0 H LEU A 2 13.183 -11.208 4.463 1.00 0.00 H new ATOM 0 HA LEU A 2 10.752 -11.034 2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.415 -11.393 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.581 -12.697 4.617 1.00 0.00 H new ATOM 0 HG LEU A 2 11.075 -10.300 6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.072 -11.586 8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.870 -11.201 6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.556 -12.840 7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 2 12.433 -11.919 7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.998 -13.191 6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.967 -11.794 5.960 1.00 0.00 H new ATOM 42 N LEU A 3 10.270 -8.660 3.530 1.00 0.00 N ATOM 43 CA LEU A 3 10.131 -7.241 3.815 1.00 0.00 C ATOM 44 C LEU A 3 9.527 -7.041 5.200 1.00 0.00 C ATOM 45 O LEU A 3 8.362 -7.379 5.432 1.00 0.00 O ATOM 46 CB LEU A 3 9.268 -6.543 2.752 1.00 0.00 C ATOM 47 CG LEU A 3 9.986 -6.179 1.445 1.00 0.00 C ATOM 48 CD1 LEU A 3 11.190 -5.293 1.726 1.00 0.00 C ATOM 49 CD2 LEU A 3 10.410 -7.425 0.683 1.00 0.00 C ATOM 0 H LEU A 3 9.560 -9.038 2.902 1.00 0.00 H new ATOM 0 HA LEU A 3 11.124 -6.791 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.424 -7.190 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.857 -5.631 3.185 1.00 0.00 H new ATOM 0 HG LEU A 3 9.283 -5.626 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.686 -5.045 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.861 -4.376 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.887 -5.822 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.916 -7.134 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.089 -8.015 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.530 -8.021 0.441 1.00 0.00 H new ATOM 61 N PRO A 4 10.327 -6.514 6.142 1.00 0.00 N ATOM 62 CA PRO A 4 9.887 -6.280 7.517 1.00 0.00 C ATOM 63 C PRO A 4 8.714 -5.307 7.579 1.00 0.00 C ATOM 64 O PRO A 4 8.756 -4.235 6.971 1.00 0.00 O ATOM 65 CB PRO A 4 11.121 -5.678 8.202 1.00 0.00 C ATOM 66 CG PRO A 4 12.270 -6.050 7.333 1.00 0.00 C ATOM 67 CD PRO A 4 11.724 -6.103 5.936 1.00 0.00 C ATOM 0 HA PRO A 4 9.534 -7.195 7.993 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.031 -4.596 8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.245 -6.075 9.210 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.073 -5.317 7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.687 -7.013 7.627 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.791 -5.135 5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.268 -6.817 5.317 1.00 0.00 H new ATOM 75 N PRO A 5 7.654 -5.682 8.313 1.00 0.00 N ATOM 76 CA PRO A 5 6.437 -4.871 8.442 1.00 0.00 C ATOM 77 C PRO A 5 6.723 -3.411 8.794 1.00 0.00 C ATOM 78 O PRO A 5 7.209 -3.112 9.885 1.00 0.00 O ATOM 79 CB PRO A 5 5.683 -5.560 9.580 1.00 0.00 C ATOM 80 CG PRO A 5 6.119 -6.979 9.510 1.00 0.00 C ATOM 81 CD PRO A 5 7.557 -6.942 9.076 1.00 0.00 C ATOM 0 HA PRO A 5 5.884 -4.820 7.504 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.929 -5.116 10.545 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.604 -5.470 9.453 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.015 -7.469 10.478 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.511 -7.541 8.801 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.234 -6.947 9.930 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.813 -7.805 8.461 1.00 0.00 H new ATOM 89 N SER A 6 6.444 -2.523 7.839 1.00 0.00 N ATOM 90 CA SER A 6 6.581 -1.076 8.021 1.00 0.00 C ATOM 91 C SER A 6 8.042 -0.616 8.014 1.00 0.00 C ATOM 92 O SER A 6 8.330 0.558 8.255 1.00 0.00 O ATOM 93 CB SER A 6 5.868 -0.618 9.295 1.00 0.00 C ATOM 94 OG SER A 6 4.476 -0.878 9.205 1.00 0.00 O ATOM 0 H SER A 6 6.114 -2.789 6.911 1.00 0.00 H new ATOM 0 HA SER A 6 6.101 -0.603 7.164 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.286 -1.135 10.159 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.036 0.448 9.450 1.00 0.00 H new ATOM 0 HG SER A 6 4.194 -0.827 8.268 1.00 0.00 H new ATOM 100 N THR A 7 8.959 -1.524 7.717 1.00 0.00 N ATOM 101 CA THR A 7 10.341 -1.139 7.502 1.00 0.00 C ATOM 102 C THR A 7 10.536 -0.826 6.023 1.00 0.00 C ATOM 103 O THR A 7 10.987 -1.663 5.237 1.00 0.00 O ATOM 104 CB THR A 7 11.330 -2.228 7.965 1.00 0.00 C ATOM 105 OG1 THR A 7 11.124 -2.504 9.358 1.00 0.00 O ATOM 106 CG2 THR A 7 12.772 -1.792 7.753 1.00 0.00 C ATOM 0 H THR A 7 8.772 -2.522 7.621 1.00 0.00 H new ATOM 0 HA THR A 7 10.553 -0.255 8.104 1.00 0.00 H new ATOM 0 HB THR A 7 11.148 -3.123 7.371 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.849 -3.075 9.689 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.444 -2.582 8.089 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.941 -1.598 6.694 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.965 -0.884 8.324 1.00 0.00 H new ATOM 114 N ALA A 8 10.130 0.377 5.646 1.00 0.00 N ATOM 115 CA ALA A 8 10.137 0.787 4.258 1.00 0.00 C ATOM 116 C ALA A 8 11.541 1.145 3.800 1.00 0.00 C ATOM 117 O ALA A 8 11.966 2.297 3.875 1.00 0.00 O ATOM 118 CB ALA A 8 9.185 1.953 4.055 1.00 0.00 C ATOM 0 H ALA A 8 9.789 1.089 6.292 1.00 0.00 H new ATOM 0 HA ALA A 8 9.797 -0.050 3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.197 2.255 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.175 1.651 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.498 2.791 4.677 1.00 0.00 H new ATOM 124 N CYS A 9 12.260 0.138 3.346 1.00 0.00 N ATOM 125 CA CYS A 9 13.613 0.321 2.863 1.00 0.00 C ATOM 126 C CYS A 9 13.752 -0.357 1.510 1.00 0.00 C ATOM 127 O CYS A 9 14.807 -0.896 1.167 1.00 0.00 O ATOM 128 CB CYS A 9 14.607 -0.266 3.864 1.00 0.00 C ATOM 129 SG CYS A 9 16.328 0.272 3.608 1.00 0.00 S ATOM 0 H CYS A 9 11.925 -0.824 3.302 1.00 0.00 H new ATOM 0 HA CYS A 9 13.827 1.384 2.754 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.297 0.011 4.872 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.565 -1.354 3.805 1.00 0.00 H new ATOM 134 N CYS A 10 12.675 -0.323 0.740 1.00 0.00 N ATOM 135 CA CYS A 10 12.644 -0.977 -0.554 1.00 0.00 C ATOM 136 C CYS A 10 13.511 -0.234 -1.558 1.00 0.00 C ATOM 137 O CYS A 10 13.268 0.931 -1.861 1.00 0.00 O ATOM 138 CB CYS A 10 11.205 -1.061 -1.072 1.00 0.00 C ATOM 139 SG CYS A 10 10.051 -1.880 0.080 1.00 0.00 S ATOM 0 H CYS A 10 11.809 0.153 0.992 1.00 0.00 H new ATOM 0 HA CYS A 10 13.040 -1.985 -0.433 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.844 -0.053 -1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.201 -1.600 -2.019 1.00 0.00 H new ATOM 144 N THR A 11 14.539 -0.906 -2.049 1.00 0.00 N ATOM 145 CA THR A 11 15.348 -0.368 -3.127 1.00 0.00 C ATOM 146 C THR A 11 14.963 -1.045 -4.433 1.00 0.00 C ATOM 147 O THR A 11 15.464 -0.710 -5.508 1.00 0.00 O ATOM 148 CB THR A 11 16.853 -0.550 -2.849 1.00 0.00 C ATOM 149 OG1 THR A 11 17.114 -1.885 -2.396 1.00 0.00 O ATOM 150 CG2 THR A 11 17.340 0.447 -1.808 1.00 0.00 C ATOM 0 H THR A 11 14.832 -1.825 -1.717 1.00 0.00 H new ATOM 0 HA THR A 11 15.158 0.703 -3.201 1.00 0.00 H new ATOM 0 HB THR A 11 17.391 -0.371 -3.780 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.073 -1.990 -2.224 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.405 0.297 -1.631 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.172 1.462 -2.169 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.793 0.298 -0.877 1.00 0.00 H new ATOM 158 N GLN A 12 14.055 -2.001 -4.314 1.00 0.00 N ATOM 159 CA GLN A 12 13.491 -2.690 -5.457 1.00 0.00 C ATOM 160 C GLN A 12 11.974 -2.554 -5.428 1.00 0.00 C ATOM 161 O GLN A 12 11.397 -2.250 -4.382 1.00 0.00 O ATOM 162 CB GLN A 12 13.927 -4.167 -5.494 1.00 0.00 C ATOM 163 CG GLN A 12 14.015 -4.867 -4.135 1.00 0.00 C ATOM 164 CD GLN A 12 12.687 -4.959 -3.403 1.00 0.00 C ATOM 165 OE1 GLN A 12 12.455 -4.048 -2.468 1.00 0.00 O flip ATOM 166 NE2 GLN A 12 11.901 -5.873 -3.639 1.00 0.00 N flip ATOM 0 H GLN A 12 13.689 -2.320 -3.417 1.00 0.00 H new ATOM 0 HA GLN A 12 13.868 -2.231 -6.371 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.226 -4.718 -6.121 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.902 -4.227 -5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.409 -5.873 -4.280 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.728 -4.333 -3.508 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.115 -6.555 -4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.034 -5.950 -3.107 1.00 0.00 H new ATOM 175 N LEU A 13 11.332 -2.748 -6.566 1.00 0.00 N ATOM 176 CA LEU A 13 9.893 -2.577 -6.658 1.00 0.00 C ATOM 177 C LEU A 13 9.267 -3.732 -7.424 1.00 0.00 C ATOM 178 O LEU A 13 9.850 -4.236 -8.384 1.00 0.00 O ATOM 179 CB LEU A 13 9.559 -1.245 -7.342 1.00 0.00 C ATOM 180 CG LEU A 13 10.067 0.005 -6.616 1.00 0.00 C ATOM 181 CD1 LEU A 13 9.828 1.245 -7.461 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.393 0.147 -5.258 1.00 0.00 C ATOM 0 H LEU A 13 11.783 -3.024 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 13 9.481 -2.567 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.977 -1.257 -8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.477 -1.170 -7.447 1.00 0.00 H new ATOM 0 HG LEU A 13 11.140 -0.103 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.195 2.123 -6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.357 1.147 -8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.760 1.356 -7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.767 1.040 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.315 0.232 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.614 -0.729 -4.649 1.00 0.00 H new ATOM 194 N TYR A 14 8.086 -4.150 -6.986 1.00 0.00 N ATOM 195 CA TYR A 14 7.372 -5.249 -7.621 1.00 0.00 C ATOM 196 C TYR A 14 6.969 -4.856 -9.036 1.00 0.00 C ATOM 197 O TYR A 14 7.107 -5.646 -9.972 1.00 0.00 O ATOM 198 CB TYR A 14 6.135 -5.609 -6.798 1.00 0.00 C ATOM 199 CG TYR A 14 5.689 -7.043 -6.956 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.409 -8.073 -6.365 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.548 -7.370 -7.678 1.00 0.00 C ATOM 202 CE1 TYR A 14 6.007 -9.386 -6.484 1.00 0.00 C ATOM 203 CE2 TYR A 14 4.138 -8.685 -7.804 1.00 0.00 C ATOM 204 CZ TYR A 14 4.874 -9.688 -7.206 1.00 0.00 C ATOM 205 OH TYR A 14 4.469 -11.000 -7.314 1.00 0.00 O ATOM 0 H TYR A 14 7.600 -3.741 -6.188 1.00 0.00 H new ATOM 0 HA TYR A 14 8.026 -6.120 -7.672 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.343 -5.418 -5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.315 -4.950 -7.086 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.301 -7.841 -5.802 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.973 -6.586 -8.148 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.577 -10.173 -6.014 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.248 -8.925 -8.367 1.00 0.00 H new ATOM 0 HH TYR A 14 3.653 -11.047 -7.854 1.00 0.00 H new ATOM 215 N ARG A 15 6.454 -3.629 -9.170 1.00 0.00 N ATOM 216 CA ARG A 15 6.159 -3.029 -10.477 1.00 0.00 C ATOM 217 C ARG A 15 5.032 -3.758 -11.216 1.00 0.00 C ATOM 218 O ARG A 15 4.742 -3.454 -12.375 1.00 0.00 O ATOM 219 CB ARG A 15 7.425 -2.996 -11.336 1.00 0.00 C ATOM 220 CG ARG A 15 8.480 -2.029 -10.826 1.00 0.00 C ATOM 221 CD ARG A 15 9.777 -2.168 -11.598 1.00 0.00 C ATOM 222 NE ARG A 15 9.579 -2.028 -13.040 1.00 0.00 N ATOM 223 CZ ARG A 15 10.564 -1.805 -13.903 1.00 0.00 C ATOM 224 NH1 ARG A 15 11.800 -1.622 -13.465 1.00 0.00 N ATOM 225 NH2 ARG A 15 10.307 -1.746 -15.204 1.00 0.00 N ATOM 0 H ARG A 15 6.230 -3.025 -8.379 1.00 0.00 H new ATOM 0 HA ARG A 15 5.814 -2.011 -10.296 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.852 -3.998 -11.378 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.155 -2.722 -12.356 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.111 -1.007 -10.912 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.663 -2.213 -9.767 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.485 -1.413 -11.255 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.221 -3.141 -11.387 1.00 0.00 H new ATOM 0 HE ARG A 15 8.630 -2.106 -13.404 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.996 -1.652 -12.465 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.556 -1.451 -14.128 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.353 -1.872 -15.542 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.064 -1.575 -15.866 1.00 0.00 H new ATOM 239 N LYS A 16 4.387 -4.695 -10.540 1.00 0.00 N ATOM 240 CA LYS A 16 3.297 -5.454 -11.128 1.00 0.00 C ATOM 241 C LYS A 16 2.051 -5.326 -10.264 1.00 0.00 C ATOM 242 O LYS A 16 2.145 -5.277 -9.036 1.00 0.00 O ATOM 243 CB LYS A 16 3.689 -6.928 -11.275 1.00 0.00 C ATOM 244 CG LYS A 16 4.783 -7.176 -12.301 1.00 0.00 C ATOM 245 CD LYS A 16 4.281 -6.957 -13.718 1.00 0.00 C ATOM 246 CE LYS A 16 5.369 -7.241 -14.741 1.00 0.00 C ATOM 247 NZ LYS A 16 4.852 -7.175 -16.134 1.00 0.00 N ATOM 0 H LYS A 16 4.602 -4.949 -9.576 1.00 0.00 H new ATOM 0 HA LYS A 16 3.085 -5.052 -12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.021 -7.304 -10.307 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.806 -7.502 -11.554 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.624 -6.510 -12.105 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.154 -8.196 -12.199 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.424 -7.604 -13.906 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.935 -5.929 -13.828 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.178 -6.521 -14.620 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.791 -8.229 -14.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.625 -7.375 -16.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.097 -7.880 -16.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.472 -6.225 -16.319 1.00 0.00 H new ATOM 261 N PRO A 17 0.873 -5.235 -10.893 1.00 0.00 N ATOM 262 CA PRO A 17 -0.403 -5.163 -10.181 1.00 0.00 C ATOM 263 C PRO A 17 -0.664 -6.422 -9.364 1.00 0.00 C ATOM 264 O PRO A 17 -0.572 -7.540 -9.875 1.00 0.00 O ATOM 265 CB PRO A 17 -1.442 -5.015 -11.298 1.00 0.00 C ATOM 266 CG PRO A 17 -0.665 -4.551 -12.483 1.00 0.00 C ATOM 267 CD PRO A 17 0.690 -5.176 -12.350 1.00 0.00 C ATOM 0 HA PRO A 17 -0.427 -4.342 -9.465 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.943 -5.962 -11.500 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.215 -4.297 -11.026 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.147 -4.856 -13.411 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.594 -3.463 -12.503 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.726 -6.166 -12.804 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.462 -4.576 -12.832 1.00 0.00 H new ATOM 275 N LEU A 18 -0.987 -6.232 -8.094 1.00 0.00 N ATOM 276 CA LEU A 18 -1.192 -7.345 -7.182 1.00 0.00 C ATOM 277 C LEU A 18 -2.554 -7.992 -7.405 1.00 0.00 C ATOM 278 O LEU A 18 -3.474 -7.367 -7.937 1.00 0.00 O ATOM 279 CB LEU A 18 -1.069 -6.863 -5.736 1.00 0.00 C ATOM 280 CG LEU A 18 0.262 -6.194 -5.384 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.259 -5.738 -3.935 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.426 -7.139 -5.645 1.00 0.00 C ATOM 0 H LEU A 18 -1.113 -5.313 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.425 -8.094 -7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.876 -6.159 -5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.216 -7.715 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 18 0.385 -5.319 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.212 -5.264 -3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.549 -5.023 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.112 -6.599 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.362 -6.643 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.311 -8.035 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.440 -7.417 -6.699 1.00 0.00 H new ATOM 294 N SER A 19 -2.668 -9.253 -7.015 1.00 0.00 N ATOM 295 CA SER A 19 -3.932 -9.962 -7.091 1.00 0.00 C ATOM 296 C SER A 19 -4.886 -9.449 -6.021 1.00 0.00 C ATOM 297 O SER A 19 -4.492 -9.260 -4.873 1.00 0.00 O ATOM 298 CB SER A 19 -3.704 -11.465 -6.928 1.00 0.00 C ATOM 299 OG SER A 19 -2.839 -11.957 -7.941 1.00 0.00 O ATOM 0 H SER A 19 -1.896 -9.806 -6.642 1.00 0.00 H new ATOM 0 HA SER A 19 -4.379 -9.783 -8.069 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.275 -11.668 -5.947 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.659 -11.989 -6.973 1.00 0.00 H new ATOM 0 HG SER A 19 -2.705 -12.920 -7.817 1.00 0.00 H new ATOM 305 N ASP A 20 -6.139 -9.232 -6.402 1.00 0.00 N ATOM 306 CA ASP A 20 -7.138 -8.669 -5.498 1.00 0.00 C ATOM 307 C ASP A 20 -7.377 -9.603 -4.313 1.00 0.00 C ATOM 308 O ASP A 20 -7.715 -9.163 -3.214 1.00 0.00 O ATOM 309 CB ASP A 20 -8.448 -8.411 -6.250 1.00 0.00 C ATOM 310 CG ASP A 20 -9.428 -7.554 -5.464 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.370 -6.310 -5.590 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.274 -8.117 -4.735 1.00 0.00 O ATOM 0 H ASP A 20 -6.490 -9.439 -7.337 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.763 -7.720 -5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.225 -7.921 -7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.918 -9.365 -6.487 1.00 0.00 H new ATOM 317 N LYS A 21 -7.177 -10.897 -4.547 1.00 0.00 N ATOM 318 CA LYS A 21 -7.339 -11.908 -3.505 1.00 0.00 C ATOM 319 C LYS A 21 -6.383 -11.648 -2.341 1.00 0.00 C ATOM 320 O LYS A 21 -6.789 -11.647 -1.182 1.00 0.00 O ATOM 321 CB LYS A 21 -7.069 -13.301 -4.081 1.00 0.00 C ATOM 322 CG LYS A 21 -7.908 -13.637 -5.305 1.00 0.00 C ATOM 323 CD LYS A 21 -7.424 -14.913 -5.982 1.00 0.00 C ATOM 324 CE LYS A 21 -7.645 -16.143 -5.114 1.00 0.00 C ATOM 325 NZ LYS A 21 -9.089 -16.458 -4.944 1.00 0.00 N ATOM 0 H LYS A 21 -6.901 -11.272 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.364 -11.855 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.014 -13.376 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.258 -14.046 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.951 -13.753 -5.011 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.867 -12.810 -6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.947 -15.040 -6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.363 -14.820 -6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.139 -16.998 -5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.192 -15.981 -4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.190 -17.390 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.534 -15.733 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.553 -16.471 -5.875 1.00 0.00 H new ATOM 339 N LEU A 22 -5.110 -11.433 -2.652 1.00 0.00 N ATOM 340 CA LEU A 22 -4.129 -11.084 -1.633 1.00 0.00 C ATOM 341 C LEU A 22 -4.289 -9.625 -1.210 1.00 0.00 C ATOM 342 O LEU A 22 -3.971 -9.255 -0.082 1.00 0.00 O ATOM 343 CB LEU A 22 -2.699 -11.379 -2.126 1.00 0.00 C ATOM 344 CG LEU A 22 -2.197 -10.557 -3.323 1.00 0.00 C ATOM 345 CD1 LEU A 22 -1.589 -9.236 -2.869 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.186 -11.357 -4.129 1.00 0.00 C ATOM 0 H LEU A 22 -4.734 -11.494 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.306 -11.704 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.013 -11.221 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.642 -12.435 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.053 -10.332 -3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.243 -8.677 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.341 -8.653 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.747 -9.432 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.840 -10.761 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.338 -11.615 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.655 -12.270 -4.497 1.00 0.00 H new ATOM 358 N LEU A 23 -4.797 -8.812 -2.126 1.00 0.00 N ATOM 359 CA LEU A 23 -4.900 -7.375 -1.922 1.00 0.00 C ATOM 360 C LEU A 23 -5.918 -7.046 -0.833 1.00 0.00 C ATOM 361 O LEU A 23 -5.700 -6.147 -0.030 1.00 0.00 O ATOM 362 CB LEU A 23 -5.274 -6.695 -3.243 1.00 0.00 C ATOM 363 CG LEU A 23 -4.980 -5.199 -3.324 1.00 0.00 C ATOM 364 CD1 LEU A 23 -3.509 -4.928 -3.047 1.00 0.00 C ATOM 365 CD2 LEU A 23 -5.374 -4.654 -4.691 1.00 0.00 C ATOM 0 H LEU A 23 -5.148 -9.130 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.933 -6.997 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.741 -7.196 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.339 -6.847 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.572 -4.689 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.318 -3.857 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.255 -5.284 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.898 -5.449 -3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.158 -3.586 -4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.806 -5.170 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.440 -4.816 -4.854 1.00 0.00 H new ATOM 377 N ARG A 24 -7.013 -7.805 -0.782 1.00 0.00 N ATOM 378 CA ARG A 24 -8.054 -7.599 0.232 1.00 0.00 C ATOM 379 C ARG A 24 -7.537 -7.918 1.633 1.00 0.00 C ATOM 380 O ARG A 24 -8.235 -7.721 2.627 1.00 0.00 O ATOM 381 CB ARG A 24 -9.278 -8.467 -0.067 1.00 0.00 C ATOM 382 CG ARG A 24 -8.986 -9.955 -0.069 1.00 0.00 C ATOM 383 CD ARG A 24 -10.243 -10.767 -0.306 1.00 0.00 C ATOM 384 NE ARG A 24 -11.184 -10.663 0.806 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.505 -10.586 0.656 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.033 -10.471 -0.557 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.301 -10.602 1.718 1.00 0.00 N ATOM 0 H ARG A 24 -7.204 -8.569 -1.430 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.338 -6.547 0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.050 -8.258 0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.684 -8.184 -1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.253 -10.182 -0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.541 -10.241 0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.726 -10.427 -1.222 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.975 -11.813 -0.457 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.807 -10.648 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.426 -10.441 -1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.045 -10.412 -0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.901 -10.673 2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.312 -10.543 1.598 1.00 0.00 H new ATOM 401 N LYS A 25 -6.321 -8.424 1.689 1.00 0.00 N ATOM 402 CA LYS A 25 -5.682 -8.791 2.941 1.00 0.00 C ATOM 403 C LYS A 25 -4.616 -7.771 3.322 1.00 0.00 C ATOM 404 O LYS A 25 -3.853 -7.968 4.274 1.00 0.00 O ATOM 405 CB LYS A 25 -5.092 -10.192 2.828 1.00 0.00 C ATOM 406 CG LYS A 25 -6.150 -11.280 2.914 1.00 0.00 C ATOM 407 CD LYS A 25 -5.892 -12.413 1.935 1.00 0.00 C ATOM 408 CE LYS A 25 -4.475 -12.936 2.036 1.00 0.00 C ATOM 409 NZ LYS A 25 -4.290 -14.176 1.235 1.00 0.00 N ATOM 0 H LYS A 25 -5.744 -8.594 0.865 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.430 -8.794 3.734 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.559 -10.283 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.360 -10.339 3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.177 -11.678 3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.130 -10.847 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.593 -13.225 2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.079 -12.064 0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.779 -12.172 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.234 -13.137 3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.308 -14.506 1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.937 -14.913 1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.496 -13.977 0.235 1.00 0.00 H new ATOM 423 N VAL A 26 -4.562 -6.687 2.562 1.00 0.00 N ATOM 424 CA VAL A 26 -3.752 -5.549 2.907 1.00 0.00 C ATOM 425 C VAL A 26 -4.513 -4.695 3.900 1.00 0.00 C ATOM 426 O VAL A 26 -5.678 -4.380 3.686 1.00 0.00 O ATOM 427 CB VAL A 26 -3.406 -4.715 1.662 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.824 -3.376 2.054 1.00 0.00 C ATOM 429 CG2 VAL A 26 -2.434 -5.464 0.780 1.00 0.00 C ATOM 0 H VAL A 26 -5.082 -6.581 1.691 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.817 -5.899 3.345 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.327 -4.541 1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.588 -2.805 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.549 -2.826 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.915 -3.531 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.199 -4.861 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.519 -5.667 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.882 -6.406 0.463 1.00 0.00 H new ATOM 439 N ILE A 27 -3.855 -4.331 4.980 1.00 0.00 N ATOM 440 CA ILE A 27 -4.516 -3.594 6.047 1.00 0.00 C ATOM 441 C ILE A 27 -4.226 -2.101 5.952 1.00 0.00 C ATOM 442 O ILE A 27 -5.096 -1.277 6.216 1.00 0.00 O ATOM 443 CB ILE A 27 -4.117 -4.121 7.445 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.593 -4.187 7.590 1.00 0.00 C ATOM 445 CG2 ILE A 27 -4.742 -5.487 7.689 1.00 0.00 C ATOM 446 CD1 ILE A 27 -2.126 -4.728 8.926 1.00 0.00 C ATOM 0 H ILE A 27 -2.868 -4.530 5.146 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.587 -3.751 5.918 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.494 -3.427 8.196 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.189 -4.813 6.794 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.181 -3.188 7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.454 -5.848 8.676 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.828 -5.405 7.635 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.393 -6.188 6.931 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.036 -4.744 8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.499 -4.090 9.727 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.507 -5.740 9.062 1.00 0.00 H new ATOM 458 N GLN A 28 -3.010 -1.755 5.549 1.00 0.00 N ATOM 459 CA GLN A 28 -2.602 -0.358 5.479 1.00 0.00 C ATOM 460 C GLN A 28 -1.712 -0.120 4.269 1.00 0.00 C ATOM 461 O GLN A 28 -1.102 -1.051 3.741 1.00 0.00 O ATOM 462 CB GLN A 28 -1.845 0.053 6.750 1.00 0.00 C ATOM 463 CG GLN A 28 -2.684 0.036 8.019 1.00 0.00 C ATOM 464 CD GLN A 28 -3.842 1.015 7.974 1.00 0.00 C ATOM 465 OE1 GLN A 28 -3.769 2.057 7.319 1.00 0.00 O ATOM 466 NE2 GLN A 28 -4.915 0.692 8.676 1.00 0.00 N ATOM 0 H GLN A 28 -2.291 -2.421 5.266 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.505 0.246 5.388 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.995 -0.616 6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.443 1.056 6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.071 -0.970 8.179 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.048 0.272 8.872 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.935 -0.180 9.205 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.723 1.315 8.689 1.00 0.00 H new ATOM 475 N VAL A 29 -1.650 1.124 3.826 1.00 0.00 N ATOM 476 CA VAL A 29 -0.715 1.521 2.786 1.00 0.00 C ATOM 477 C VAL A 29 0.340 2.448 3.386 1.00 0.00 C ATOM 478 O VAL A 29 0.030 3.536 3.870 1.00 0.00 O ATOM 479 CB VAL A 29 -1.429 2.195 1.583 1.00 0.00 C ATOM 480 CG1 VAL A 29 -2.306 3.356 2.033 1.00 0.00 C ATOM 481 CG2 VAL A 29 -0.416 2.657 0.541 1.00 0.00 C ATOM 0 H VAL A 29 -2.240 1.881 4.172 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.234 0.624 2.396 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.078 1.448 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.790 3.804 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.066 2.991 2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.691 4.105 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.939 3.126 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.267 3.377 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.149 1.799 0.178 1.00 0.00 H new ATOM 491 N GLU A 30 1.584 2.003 3.383 1.00 0.00 N ATOM 492 CA GLU A 30 2.640 2.739 4.048 1.00 0.00 C ATOM 493 C GLU A 30 3.577 3.394 3.044 1.00 0.00 C ATOM 494 O GLU A 30 4.231 2.727 2.241 1.00 0.00 O ATOM 495 CB GLU A 30 3.397 1.822 5.014 1.00 0.00 C ATOM 496 CG GLU A 30 3.794 0.476 4.428 1.00 0.00 C ATOM 497 CD GLU A 30 4.074 -0.557 5.507 1.00 0.00 C ATOM 498 OE1 GLU A 30 3.820 -0.267 6.694 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.538 -1.671 5.184 1.00 0.00 O ATOM 0 H GLU A 30 1.885 1.140 2.930 1.00 0.00 H new ATOM 0 HA GLU A 30 2.187 3.543 4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.297 2.336 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.777 1.652 5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.997 0.114 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.680 0.599 3.806 1.00 0.00 H new ATOM 506 N LEU A 31 3.614 4.714 3.085 1.00 0.00 N ATOM 507 CA LEU A 31 4.460 5.484 2.194 1.00 0.00 C ATOM 508 C LEU A 31 5.909 5.439 2.654 1.00 0.00 C ATOM 509 O LEU A 31 6.238 5.868 3.761 1.00 0.00 O ATOM 510 CB LEU A 31 3.978 6.940 2.123 1.00 0.00 C ATOM 511 CG LEU A 31 4.898 7.906 1.362 1.00 0.00 C ATOM 512 CD1 LEU A 31 5.072 7.466 -0.084 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.347 9.323 1.425 1.00 0.00 C ATOM 0 H LEU A 31 3.063 5.278 3.732 1.00 0.00 H new ATOM 0 HA LEU A 31 4.397 5.041 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.995 6.956 1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.851 7.312 3.140 1.00 0.00 H new ATOM 0 HG LEU A 31 5.877 7.891 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.728 8.167 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.513 6.469 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.100 7.446 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.010 9.996 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.355 9.348 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.281 9.642 2.465 1.00 0.00 H new ATOM 525 N GLN A 32 6.763 4.903 1.805 1.00 0.00 N ATOM 526 CA GLN A 32 8.190 4.930 2.042 1.00 0.00 C ATOM 527 C GLN A 32 8.737 6.295 1.653 1.00 0.00 C ATOM 528 O GLN A 32 8.741 6.655 0.477 1.00 0.00 O ATOM 529 CB GLN A 32 8.883 3.820 1.247 1.00 0.00 C ATOM 530 CG GLN A 32 10.377 4.034 1.070 1.00 0.00 C ATOM 531 CD GLN A 32 11.075 2.844 0.442 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.459 2.036 -0.254 1.00 0.00 O ATOM 533 NE2 GLN A 32 12.377 2.749 0.651 1.00 0.00 N ATOM 0 H GLN A 32 6.489 4.440 0.938 1.00 0.00 H new ATOM 0 HA GLN A 32 8.386 4.757 3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.719 2.868 1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.417 3.744 0.264 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.541 4.914 0.449 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.826 4.241 2.041 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.852 3.438 1.234 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.907 1.986 0.229 1.00 0.00 H new ATOM 542 N GLU A 33 9.155 7.064 2.644 1.00 0.00 N ATOM 543 CA GLU A 33 9.711 8.379 2.393 1.00 0.00 C ATOM 544 C GLU A 33 11.169 8.239 1.967 1.00 0.00 C ATOM 545 O GLU A 33 11.868 7.345 2.438 1.00 0.00 O ATOM 546 CB GLU A 33 9.566 9.256 3.637 1.00 0.00 C ATOM 547 CG GLU A 33 8.121 9.386 4.101 1.00 0.00 C ATOM 548 CD GLU A 33 7.940 10.387 5.223 1.00 0.00 C ATOM 549 OE1 GLU A 33 7.764 11.588 4.928 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.960 9.980 6.403 1.00 0.00 O ATOM 0 H GLU A 33 9.119 6.799 3.628 1.00 0.00 H new ATOM 0 HA GLU A 33 9.165 8.865 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.166 8.836 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.966 10.248 3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.500 9.682 3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.764 8.411 4.432 1.00 0.00 H new ATOM 557 N ALA A 34 11.622 9.137 1.101 1.00 0.00 N ATOM 558 CA ALA A 34 12.903 8.982 0.410 1.00 0.00 C ATOM 559 C ALA A 34 14.102 9.314 1.298 1.00 0.00 C ATOM 560 O ALA A 34 15.163 9.697 0.792 1.00 0.00 O ATOM 561 CB ALA A 34 12.921 9.862 -0.832 1.00 0.00 C ATOM 0 H ALA A 34 11.118 9.989 0.857 1.00 0.00 H new ATOM 0 HA ALA A 34 12.995 7.932 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.875 9.746 -1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.111 9.567 -1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.790 10.904 -0.541 1.00 0.00 H new ATOM 567 N ASP A 35 13.956 9.129 2.602 1.00 0.00 N ATOM 568 CA ASP A 35 15.030 9.439 3.543 1.00 0.00 C ATOM 569 C ASP A 35 14.629 9.076 4.972 1.00 0.00 C ATOM 570 O ASP A 35 15.476 9.013 5.864 1.00 0.00 O ATOM 571 CB ASP A 35 15.397 10.923 3.462 1.00 0.00 C ATOM 572 CG ASP A 35 16.774 11.217 4.024 1.00 0.00 C ATOM 573 OD1 ASP A 35 17.772 10.754 3.429 1.00 0.00 O ATOM 574 OD2 ASP A 35 16.870 11.931 5.044 1.00 0.00 O ATOM 0 H ASP A 35 13.107 8.766 3.035 1.00 0.00 H new ATOM 0 HA ASP A 35 15.900 8.842 3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.357 11.247 2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.655 11.507 4.006 1.00 0.00 H new ATOM 579 N GLY A 36 13.333 8.838 5.178 1.00 0.00 N ATOM 580 CA GLY A 36 12.826 8.505 6.501 1.00 0.00 C ATOM 581 C GLY A 36 13.406 7.215 7.054 1.00 0.00 C ATOM 582 O GLY A 36 14.258 7.241 7.942 1.00 0.00 O ATOM 0 H GLY A 36 12.622 8.870 4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.053 9.322 7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.740 8.418 6.456 1.00 0.00 H new ATOM 586 N ASP A 37 12.953 6.081 6.531 1.00 0.00 N ATOM 587 CA ASP A 37 13.460 4.790 6.978 1.00 0.00 C ATOM 588 C ASP A 37 14.736 4.494 6.214 1.00 0.00 C ATOM 589 O ASP A 37 15.748 4.084 6.784 1.00 0.00 O ATOM 590 CB ASP A 37 12.417 3.689 6.744 1.00 0.00 C ATOM 591 CG ASP A 37 12.770 2.380 7.428 1.00 0.00 C ATOM 592 OD1 ASP A 37 13.469 1.548 6.819 1.00 0.00 O ATOM 593 OD2 ASP A 37 12.334 2.174 8.584 1.00 0.00 O ATOM 0 H ASP A 37 12.241 6.029 5.802 1.00 0.00 H new ATOM 0 HA ASP A 37 13.667 4.820 8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.448 4.032 7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.314 3.516 5.673 1.00 0.00 H new ATOM 598 N CYS A 38 14.666 4.747 4.917 1.00 0.00 N ATOM 599 CA CYS A 38 15.812 4.687 4.028 1.00 0.00 C ATOM 600 C CYS A 38 15.593 5.663 2.889 1.00 0.00 C ATOM 601 O CYS A 38 14.592 6.372 2.875 1.00 0.00 O ATOM 602 CB CYS A 38 15.991 3.294 3.443 1.00 0.00 C ATOM 603 SG CYS A 38 16.431 2.004 4.658 1.00 0.00 S ATOM 0 H CYS A 38 13.798 5.003 4.447 1.00 0.00 H new ATOM 0 HA CYS A 38 16.705 4.939 4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.067 3.003 2.944 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.767 3.333 2.679 1.00 0.00 H new ATOM 608 N HIS A 39 16.511 5.694 1.936 1.00 0.00 N ATOM 609 CA HIS A 39 16.323 6.511 0.750 1.00 0.00 C ATOM 610 C HIS A 39 15.367 5.819 -0.217 1.00 0.00 C ATOM 611 O HIS A 39 14.983 4.669 0.008 1.00 0.00 O ATOM 612 CB HIS A 39 17.663 6.824 0.058 1.00 0.00 C ATOM 613 CG HIS A 39 18.430 5.621 -0.420 1.00 0.00 C ATOM 614 ND1 HIS A 39 18.150 4.708 -1.381 1.00 0.00 N flip ATOM 615 CD2 HIS A 39 19.664 5.274 0.083 1.00 0.00 C flip ATOM 616 CE1 HIS A 39 19.210 3.837 -1.443 1.00 0.00 C flip ATOM 617 NE2 HIS A 39 20.108 4.201 -0.547 1.00 0.00 N flip ATOM 0 H HIS A 39 17.385 5.168 1.960 1.00 0.00 H new ATOM 0 HA HIS A 39 15.887 7.460 1.061 1.00 0.00 H new ATOM 0 HB2 HIS A 39 17.471 7.475 -0.795 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.290 7.384 0.752 1.00 0.00 H new ATOM 0 HD2 HIS A 39 20.187 5.797 0.870 1.00 0.00 H new ATOM 0 HE1 HIS A 39 19.295 2.994 -2.113 1.00 0.00 H new ATOM 0 HE2 HIS A 39 20.996 3.732 -0.370 1.00 0.00 H new ATOM 626 N LEU A 40 15.015 6.530 -1.284 1.00 0.00 N ATOM 627 CA LEU A 40 14.096 6.037 -2.322 1.00 0.00 C ATOM 628 C LEU A 40 12.650 6.082 -1.819 1.00 0.00 C ATOM 629 O LEU A 40 12.318 5.492 -0.796 1.00 0.00 O ATOM 630 CB LEU A 40 14.502 4.617 -2.787 1.00 0.00 C ATOM 631 CG LEU A 40 13.806 4.070 -4.046 1.00 0.00 C ATOM 632 CD1 LEU A 40 12.409 3.563 -3.732 1.00 0.00 C ATOM 633 CD2 LEU A 40 13.757 5.130 -5.137 1.00 0.00 C ATOM 0 H LEU A 40 15.359 7.474 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 40 14.164 6.692 -3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.577 4.613 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.312 3.925 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 40 14.393 3.226 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.946 3.184 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.470 2.762 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.807 4.379 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 40 13.261 4.723 -6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.203 5.997 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.772 5.430 -5.398 1.00 0.00 H new ATOM 645 N GLN A 41 11.802 6.812 -2.534 1.00 0.00 N ATOM 646 CA GLN A 41 10.400 6.948 -2.156 1.00 0.00 C ATOM 647 C GLN A 41 9.547 5.917 -2.888 1.00 0.00 C ATOM 648 O GLN A 41 9.657 5.757 -4.108 1.00 0.00 O ATOM 649 CB GLN A 41 9.903 8.364 -2.467 1.00 0.00 C ATOM 650 CG GLN A 41 8.488 8.645 -1.979 1.00 0.00 C ATOM 651 CD GLN A 41 8.031 10.066 -2.268 1.00 0.00 C ATOM 652 OE1 GLN A 41 8.523 10.642 -3.354 1.00 0.00 O flip ATOM 653 NE2 GLN A 41 7.236 10.641 -1.523 1.00 0.00 N flip ATOM 0 H GLN A 41 12.061 7.320 -3.380 1.00 0.00 H new ATOM 0 HA GLN A 41 10.311 6.772 -1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.583 9.085 -2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.943 8.524 -3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.800 7.945 -2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.437 8.464 -0.905 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.878 10.165 -0.695 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.936 11.593 -1.734 1.00 0.00 H new ATOM 662 N ALA A 42 8.703 5.218 -2.143 1.00 0.00 N ATOM 663 CA ALA A 42 7.845 4.192 -2.716 1.00 0.00 C ATOM 664 C ALA A 42 6.528 4.104 -1.965 1.00 0.00 C ATOM 665 O ALA A 42 6.406 4.596 -0.847 1.00 0.00 O ATOM 666 CB ALA A 42 8.542 2.843 -2.690 1.00 0.00 C ATOM 0 H ALA A 42 8.594 5.344 -1.137 1.00 0.00 H new ATOM 0 HA ALA A 42 7.638 4.467 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.887 2.087 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.464 2.898 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.776 2.574 -1.660 1.00 0.00 H new ATOM 672 N PHE A 43 5.544 3.475 -2.580 1.00 0.00 N ATOM 673 CA PHE A 43 4.277 3.223 -1.919 1.00 0.00 C ATOM 674 C PHE A 43 4.146 1.741 -1.624 1.00 0.00 C ATOM 675 O PHE A 43 3.889 0.935 -2.515 1.00 0.00 O ATOM 676 CB PHE A 43 3.098 3.723 -2.754 1.00 0.00 C ATOM 677 CG PHE A 43 2.575 5.051 -2.291 1.00 0.00 C ATOM 678 CD1 PHE A 43 1.719 5.122 -1.203 1.00 0.00 C ATOM 679 CD2 PHE A 43 2.939 6.223 -2.931 1.00 0.00 C ATOM 680 CE1 PHE A 43 1.237 6.339 -0.762 1.00 0.00 C ATOM 681 CE2 PHE A 43 2.461 7.444 -2.494 1.00 0.00 C ATOM 682 CZ PHE A 43 1.610 7.502 -1.408 1.00 0.00 C ATOM 0 H PHE A 43 5.598 3.129 -3.538 1.00 0.00 H new ATOM 0 HA PHE A 43 4.259 3.777 -0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.406 3.803 -3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.294 2.988 -2.715 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.426 4.216 -0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.604 6.183 -3.781 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.570 6.381 0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.753 8.352 -3.001 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.236 8.455 -1.064 1.00 0.00 H new ATOM 692 N VAL A 44 4.349 1.393 -0.370 1.00 0.00 N ATOM 693 CA VAL A 44 4.428 0.005 0.034 1.00 0.00 C ATOM 694 C VAL A 44 3.105 -0.458 0.632 1.00 0.00 C ATOM 695 O VAL A 44 2.522 0.218 1.481 1.00 0.00 O ATOM 696 CB VAL A 44 5.581 -0.189 1.041 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.711 -1.639 1.482 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.878 0.301 0.417 1.00 0.00 C ATOM 0 H VAL A 44 4.463 2.060 0.393 1.00 0.00 H new ATOM 0 HA VAL A 44 4.630 -0.604 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 44 5.360 0.395 1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.534 -1.731 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.784 -1.959 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.908 -2.267 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.696 0.166 1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.084 -0.269 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.785 1.358 0.167 1.00 0.00 H new ATOM 708 N LEU A 45 2.621 -1.597 0.169 1.00 0.00 N ATOM 709 CA LEU A 45 1.355 -2.124 0.642 1.00 0.00 C ATOM 710 C LEU A 45 1.577 -3.107 1.774 1.00 0.00 C ATOM 711 O LEU A 45 2.311 -4.086 1.635 1.00 0.00 O ATOM 712 CB LEU A 45 0.573 -2.767 -0.502 1.00 0.00 C ATOM 713 CG LEU A 45 0.055 -1.770 -1.540 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.737 -2.474 -2.625 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.797 -0.710 -0.863 1.00 0.00 C ATOM 0 H LEU A 45 3.085 -2.173 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 45 0.760 -1.296 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.212 -3.496 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.272 -3.316 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 45 0.912 -1.288 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.093 -1.741 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.099 -3.201 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.589 -2.987 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.161 -0.005 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.644 -1.185 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.197 -0.179 -0.124 1.00 0.00 H new ATOM 727 N HIS A 46 0.932 -2.835 2.893 1.00 0.00 N ATOM 728 CA HIS A 46 1.159 -3.588 4.111 1.00 0.00 C ATOM 729 C HIS A 46 0.039 -4.590 4.349 1.00 0.00 C ATOM 730 O HIS A 46 -1.059 -4.219 4.764 1.00 0.00 O ATOM 731 CB HIS A 46 1.255 -2.618 5.294 1.00 0.00 C ATOM 732 CG HIS A 46 1.719 -3.240 6.574 1.00 0.00 C ATOM 733 ND1 HIS A 46 2.973 -3.023 7.091 1.00 0.00 N ATOM 734 CD2 HIS A 46 1.085 -4.047 7.456 1.00 0.00 C ATOM 735 CE1 HIS A 46 3.094 -3.672 8.233 1.00 0.00 C ATOM 736 NE2 HIS A 46 1.962 -4.299 8.477 1.00 0.00 N ATOM 0 H HIS A 46 0.240 -2.091 2.983 1.00 0.00 H new ATOM 0 HA HIS A 46 2.092 -4.143 4.012 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.937 -1.810 5.030 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.276 -2.168 5.458 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.076 -4.422 7.371 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.972 -3.687 8.861 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.770 -4.878 9.294 1.00 0.00 H new ATOM 745 N LEU A 47 0.313 -5.857 4.076 1.00 0.00 N ATOM 746 CA LEU A 47 -0.618 -6.917 4.424 1.00 0.00 C ATOM 747 C LEU A 47 -0.454 -7.233 5.900 1.00 0.00 C ATOM 748 O LEU A 47 0.569 -6.893 6.493 1.00 0.00 O ATOM 749 CB LEU A 47 -0.382 -8.191 3.594 1.00 0.00 C ATOM 750 CG LEU A 47 -0.647 -8.080 2.090 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.486 -7.348 1.383 1.00 0.00 C ATOM 752 CD2 LEU A 47 -0.850 -9.460 1.488 1.00 0.00 C ATOM 0 H LEU A 47 1.167 -6.174 3.617 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.629 -6.573 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.652 -8.506 3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.015 -8.983 3.995 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.558 -7.498 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.269 -7.285 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.582 -6.343 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.419 -7.891 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.037 -9.366 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.044 -10.062 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.703 -9.943 1.965 1.00 0.00 H new ATOM 764 N ALA A 48 -1.441 -7.893 6.486 1.00 0.00 N ATOM 765 CA ALA A 48 -1.407 -8.215 7.911 1.00 0.00 C ATOM 766 C ALA A 48 -0.217 -9.109 8.268 1.00 0.00 C ATOM 767 O ALA A 48 0.122 -9.267 9.441 1.00 0.00 O ATOM 768 CB ALA A 48 -2.709 -8.882 8.327 1.00 0.00 C ATOM 0 H ALA A 48 -2.277 -8.218 6.000 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.288 -7.279 8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.673 -9.118 9.391 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.542 -8.206 8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.846 -9.800 7.756 1.00 0.00 H new ATOM 774 N GLN A 49 0.417 -9.683 7.254 1.00 0.00 N ATOM 775 CA GLN A 49 1.530 -10.593 7.474 1.00 0.00 C ATOM 776 C GLN A 49 2.850 -9.968 7.026 1.00 0.00 C ATOM 777 O GLN A 49 3.861 -10.076 7.717 1.00 0.00 O ATOM 778 CB GLN A 49 1.309 -11.915 6.726 1.00 0.00 C ATOM 779 CG GLN A 49 -0.101 -12.487 6.868 1.00 0.00 C ATOM 780 CD GLN A 49 -1.126 -11.829 5.950 1.00 0.00 C ATOM 781 OE1 GLN A 49 -0.705 -11.437 4.756 1.00 0.00 O flip ATOM 782 NE2 GLN A 49 -2.299 -11.706 6.298 1.00 0.00 N flip ATOM 0 H GLN A 49 0.179 -9.534 6.273 1.00 0.00 H new ATOM 0 HA GLN A 49 1.582 -10.792 8.544 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.522 -11.761 5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.026 -12.650 7.091 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.072 -13.556 6.658 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.427 -12.374 7.902 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.592 -12.018 7.224 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.979 -11.292 5.661 1.00 0.00 H new ATOM 791 N ARG A 50 2.836 -9.307 5.872 1.00 0.00 N ATOM 792 CA ARG A 50 4.064 -8.770 5.281 1.00 0.00 C ATOM 793 C ARG A 50 3.753 -7.667 4.275 1.00 0.00 C ATOM 794 O ARG A 50 2.600 -7.474 3.898 1.00 0.00 O ATOM 795 CB ARG A 50 4.887 -9.896 4.628 1.00 0.00 C ATOM 796 CG ARG A 50 4.054 -10.949 3.896 1.00 0.00 C ATOM 797 CD ARG A 50 3.529 -10.453 2.556 1.00 0.00 C ATOM 798 NE ARG A 50 4.587 -10.337 1.551 1.00 0.00 N ATOM 799 CZ ARG A 50 4.421 -10.644 0.264 1.00 0.00 C ATOM 800 NH1 ARG A 50 3.261 -11.124 -0.167 1.00 0.00 N ATOM 801 NH2 ARG A 50 5.423 -10.493 -0.590 1.00 0.00 N ATOM 0 H ARG A 50 1.992 -9.129 5.327 1.00 0.00 H new ATOM 0 HA ARG A 50 4.661 -8.330 6.080 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.590 -9.453 3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.478 -10.390 5.399 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.661 -11.840 3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.214 -11.243 4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.761 -11.137 2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.053 -9.482 2.692 1.00 0.00 H new ATOM 0 HE ARG A 50 5.502 -10.003 1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.491 -11.260 0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.140 -11.357 -1.153 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.323 -10.141 -0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.294 -10.728 -1.574 1.00 0.00 H new ATOM 815 N SER A 51 4.780 -6.952 3.846 1.00 0.00 N ATOM 816 CA SER A 51 4.599 -5.825 2.942 1.00 0.00 C ATOM 817 C SER A 51 5.157 -6.120 1.550 1.00 0.00 C ATOM 818 O SER A 51 6.014 -6.990 1.380 1.00 0.00 O ATOM 819 CB SER A 51 5.274 -4.582 3.523 1.00 0.00 C ATOM 820 OG SER A 51 4.738 -4.252 4.796 1.00 0.00 O ATOM 0 H SER A 51 5.749 -7.131 4.109 1.00 0.00 H new ATOM 0 HA SER A 51 3.529 -5.648 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.346 -4.756 3.611 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.142 -3.742 2.841 1.00 0.00 H new ATOM 0 HG SER A 51 4.702 -3.277 4.893 1.00 0.00 H new ATOM 826 N ILE A 52 4.644 -5.395 0.561 1.00 0.00 N ATOM 827 CA ILE A 52 5.124 -5.487 -0.815 1.00 0.00 C ATOM 828 C ILE A 52 5.506 -4.090 -1.307 1.00 0.00 C ATOM 829 O ILE A 52 4.822 -3.118 -0.993 1.00 0.00 O ATOM 830 CB ILE A 52 4.045 -6.089 -1.748 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.582 -7.451 -1.217 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.578 -6.228 -3.168 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.457 -8.073 -2.019 1.00 0.00 C ATOM 0 H ILE A 52 3.884 -4.727 0.690 1.00 0.00 H new ATOM 0 HA ILE A 52 5.993 -6.145 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 52 3.191 -5.412 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.431 -8.135 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.257 -7.335 -0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.804 -6.653 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.864 -5.247 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.448 -6.884 -3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.186 -9.034 -1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.591 -7.411 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.783 -8.223 -3.048 1.00 0.00 H new ATOM 845 N CYS A 53 6.556 -3.990 -2.116 1.00 0.00 N ATOM 846 CA CYS A 53 7.102 -2.687 -2.484 1.00 0.00 C ATOM 847 C CYS A 53 6.612 -2.274 -3.869 1.00 0.00 C ATOM 848 O CYS A 53 6.836 -2.976 -4.858 1.00 0.00 O ATOM 849 CB CYS A 53 8.635 -2.737 -2.474 1.00 0.00 C ATOM 850 SG CYS A 53 9.349 -3.472 -0.967 1.00 0.00 S ATOM 0 H CYS A 53 7.042 -4.787 -2.526 1.00 0.00 H new ATOM 0 HA CYS A 53 6.760 -1.952 -1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.974 -3.307 -3.339 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.021 -1.724 -2.589 1.00 0.00 H new ATOM 855 N ILE A 54 5.944 -1.128 -3.928 1.00 0.00 N ATOM 856 CA ILE A 54 5.314 -0.666 -5.155 1.00 0.00 C ATOM 857 C ILE A 54 5.760 0.756 -5.522 1.00 0.00 C ATOM 858 O ILE A 54 6.014 1.590 -4.652 1.00 0.00 O ATOM 859 CB ILE A 54 3.768 -0.742 -5.026 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.276 -2.156 -5.353 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.071 0.288 -5.896 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.766 -2.294 -5.345 1.00 0.00 C ATOM 0 H ILE A 54 5.825 -0.499 -3.134 1.00 0.00 H new ATOM 0 HA ILE A 54 5.633 -1.324 -5.963 1.00 0.00 H new ATOM 0 HB ILE A 54 3.512 -0.510 -3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.653 -2.444 -6.334 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.699 -2.854 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.992 0.197 -5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.387 1.288 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.333 0.119 -6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.493 -3.322 -5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.382 -2.038 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.335 -1.622 -6.087 1.00 0.00 H new ATOM 874 N HIS A 55 5.883 1.002 -6.824 1.00 0.00 N ATOM 875 CA HIS A 55 6.217 2.323 -7.348 1.00 0.00 C ATOM 876 C HIS A 55 5.080 3.302 -7.042 1.00 0.00 C ATOM 877 O HIS A 55 3.926 2.999 -7.317 1.00 0.00 O ATOM 878 CB HIS A 55 6.435 2.214 -8.865 1.00 0.00 C ATOM 879 CG HIS A 55 6.952 3.456 -9.523 1.00 0.00 C ATOM 880 ND1 HIS A 55 6.285 4.103 -10.541 1.00 0.00 N ATOM 881 CD2 HIS A 55 8.100 4.145 -9.332 1.00 0.00 C ATOM 882 CE1 HIS A 55 7.004 5.133 -10.946 1.00 0.00 C ATOM 883 NE2 HIS A 55 8.111 5.181 -10.228 1.00 0.00 N ATOM 0 H HIS A 55 5.754 0.292 -7.545 1.00 0.00 H new ATOM 0 HA HIS A 55 7.128 2.693 -6.877 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.135 1.401 -9.058 1.00 0.00 H new ATOM 0 HB3 HIS A 55 5.490 1.940 -9.334 1.00 0.00 H new ATOM 0 HD1 HIS A 55 5.379 3.829 -10.921 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.867 3.920 -8.606 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.732 5.821 -11.733 1.00 0.00 H new ATOM 892 N PRO A 56 5.388 4.477 -6.460 1.00 0.00 N ATOM 893 CA PRO A 56 4.373 5.480 -6.096 1.00 0.00 C ATOM 894 C PRO A 56 3.397 5.781 -7.227 1.00 0.00 C ATOM 895 O PRO A 56 2.195 5.904 -7.006 1.00 0.00 O ATOM 896 CB PRO A 56 5.205 6.719 -5.764 1.00 0.00 C ATOM 897 CG PRO A 56 6.511 6.178 -5.305 1.00 0.00 C ATOM 898 CD PRO A 56 6.746 4.919 -6.097 1.00 0.00 C ATOM 0 HA PRO A 56 3.744 5.133 -5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.326 7.361 -6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.730 7.320 -4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.311 6.899 -5.473 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.491 5.967 -4.236 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.355 5.110 -6.981 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.268 4.166 -5.507 1.00 0.00 H new ATOM 906 N GLN A 57 3.918 5.909 -8.435 1.00 0.00 N ATOM 907 CA GLN A 57 3.071 6.071 -9.600 1.00 0.00 C ATOM 908 C GLN A 57 2.808 4.706 -10.223 1.00 0.00 C ATOM 909 O GLN A 57 3.471 4.307 -11.182 1.00 0.00 O ATOM 910 CB GLN A 57 3.714 7.020 -10.616 1.00 0.00 C ATOM 911 CG GLN A 57 3.968 8.418 -10.069 1.00 0.00 C ATOM 912 CD GLN A 57 2.690 9.179 -9.766 1.00 0.00 C ATOM 913 OE1 GLN A 57 2.165 9.905 -10.609 1.00 0.00 O ATOM 914 NE2 GLN A 57 2.177 9.011 -8.561 1.00 0.00 N ATOM 0 H GLN A 57 4.919 5.904 -8.633 1.00 0.00 H new ATOM 0 HA GLN A 57 2.123 6.514 -9.294 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.659 6.593 -10.952 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.069 7.093 -11.491 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.564 8.343 -9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.558 8.983 -10.791 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.642 8.400 -7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.316 9.492 -8.302 1.00 0.00 H new ATOM 923 N ASN A 58 1.889 3.966 -9.621 1.00 0.00 N ATOM 924 CA ASN A 58 1.525 2.641 -10.113 1.00 0.00 C ATOM 925 C ASN A 58 0.021 2.440 -9.996 1.00 0.00 C ATOM 926 O ASN A 58 -0.561 2.697 -8.940 1.00 0.00 O ATOM 927 CB ASN A 58 2.260 1.559 -9.316 1.00 0.00 C ATOM 928 CG ASN A 58 2.322 0.223 -10.036 1.00 0.00 C ATOM 929 OD1 ASN A 58 1.408 -0.675 -9.703 1.00 0.00 O flip ATOM 930 ND2 ASN A 58 3.210 -0.016 -10.855 1.00 0.00 N flip ATOM 0 H ASN A 58 1.379 4.260 -8.788 1.00 0.00 H new ATOM 0 HA ASN A 58 1.815 2.563 -11.161 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.274 1.898 -9.105 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.763 1.424 -8.355 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.897 0.702 -11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.258 -0.932 -11.302 1.00 0.00 H new ATOM 937 N PRO A 59 -0.626 1.969 -11.077 1.00 0.00 N ATOM 938 CA PRO A 59 -2.083 1.785 -11.122 1.00 0.00 C ATOM 939 C PRO A 59 -2.615 0.948 -9.959 1.00 0.00 C ATOM 940 O PRO A 59 -3.703 1.198 -9.453 1.00 0.00 O ATOM 941 CB PRO A 59 -2.311 1.056 -12.450 1.00 0.00 C ATOM 942 CG PRO A 59 -1.149 1.438 -13.295 1.00 0.00 C ATOM 943 CD PRO A 59 0.014 1.587 -12.354 1.00 0.00 C ATOM 0 HA PRO A 59 -2.607 2.737 -11.042 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.358 -0.023 -12.306 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.252 1.357 -12.911 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.947 0.677 -14.048 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.343 2.369 -13.827 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.576 0.658 -12.260 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.713 2.349 -12.697 1.00 0.00 H new ATOM 951 N SER A 60 -1.834 -0.036 -9.527 1.00 0.00 N ATOM 952 CA SER A 60 -2.249 -0.925 -8.448 1.00 0.00 C ATOM 953 C SER A 60 -2.428 -0.158 -7.133 1.00 0.00 C ATOM 954 O SER A 60 -3.260 -0.527 -6.309 1.00 0.00 O ATOM 955 CB SER A 60 -1.224 -2.047 -8.260 1.00 0.00 C ATOM 956 OG SER A 60 -1.743 -3.098 -7.462 1.00 0.00 O ATOM 0 H SER A 60 -0.910 -0.238 -9.908 1.00 0.00 H new ATOM 0 HA SER A 60 -3.210 -1.358 -8.724 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.930 -2.439 -9.234 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.325 -1.645 -7.794 1.00 0.00 H new ATOM 0 HG SER A 60 -1.046 -3.423 -6.855 1.00 0.00 H new ATOM 962 N LEU A 61 -1.659 0.912 -6.952 1.00 0.00 N ATOM 963 CA LEU A 61 -1.698 1.677 -5.711 1.00 0.00 C ATOM 964 C LEU A 61 -2.905 2.615 -5.723 1.00 0.00 C ATOM 965 O LEU A 61 -3.631 2.725 -4.737 1.00 0.00 O ATOM 966 CB LEU A 61 -0.383 2.463 -5.538 1.00 0.00 C ATOM 967 CG LEU A 61 0.058 2.756 -4.092 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.927 3.668 -3.382 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.241 1.461 -3.313 1.00 0.00 C ATOM 0 H LEU A 61 -1.003 1.268 -7.647 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.800 0.998 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.414 1.907 -6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.482 3.413 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 61 1.016 3.274 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.583 3.853 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.998 4.614 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.907 3.192 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.553 1.690 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.702 0.914 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.003 0.850 -3.797 1.00 0.00 H new ATOM 981 N SER A 62 -3.134 3.273 -6.852 1.00 0.00 N ATOM 982 CA SER A 62 -4.279 4.166 -6.984 1.00 0.00 C ATOM 983 C SER A 62 -5.588 3.385 -6.935 1.00 0.00 C ATOM 984 O SER A 62 -6.555 3.774 -6.259 1.00 0.00 O ATOM 985 CB SER A 62 -4.188 4.956 -8.287 1.00 0.00 C ATOM 986 OG SER A 62 -3.939 4.099 -9.392 1.00 0.00 O ATOM 0 H SER A 62 -2.548 3.207 -7.684 1.00 0.00 H new ATOM 0 HA SER A 62 -4.264 4.862 -6.146 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.117 5.502 -8.450 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.392 5.697 -8.211 1.00 0.00 H new ATOM 0 HG SER A 62 -3.887 4.631 -10.213 1.00 0.00 H new ATOM 992 N GLN A 63 -5.615 2.277 -7.660 1.00 0.00 N ATOM 993 CA GLN A 63 -6.755 1.385 -7.640 1.00 0.00 C ATOM 994 C GLN A 63 -6.980 0.857 -6.233 1.00 0.00 C ATOM 995 O GLN A 63 -8.103 0.541 -5.857 1.00 0.00 O ATOM 996 CB GLN A 63 -6.546 0.223 -8.606 1.00 0.00 C ATOM 997 CG GLN A 63 -6.679 0.607 -10.073 1.00 0.00 C ATOM 998 CD GLN A 63 -6.514 -0.575 -11.017 1.00 0.00 C ATOM 999 OE1 GLN A 63 -5.713 -1.558 -10.624 1.00 0.00 O flip ATOM 1000 NE2 GLN A 63 -7.101 -0.606 -12.097 1.00 0.00 N flip ATOM 0 H GLN A 63 -4.855 1.977 -8.271 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.636 1.944 -7.956 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.555 -0.201 -8.440 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.270 -0.560 -8.379 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.656 1.061 -10.236 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.932 1.363 -10.314 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.710 0.166 -12.369 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.979 -1.404 -12.721 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.904 0.767 -5.458 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.999 0.308 -4.085 1.00 0.00 C ATOM 1011 C TRP A 64 -6.874 1.234 -3.268 1.00 0.00 C ATOM 1012 O TRP A 64 -7.746 0.770 -2.547 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.620 0.187 -3.436 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.677 -0.351 -2.035 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -4.012 0.134 -0.946 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.464 -1.456 -1.563 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.323 -0.606 0.166 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.213 -1.581 -0.185 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.354 -2.353 -2.165 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -5.816 -2.560 0.593 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -6.951 -3.321 -1.389 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -6.681 -3.416 -0.024 1.00 0.00 C ATOM 0 H TRP A 64 -4.960 1.006 -5.760 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.453 -0.683 -4.106 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -3.994 -0.465 -4.045 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.143 1.167 -3.424 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.339 0.978 -0.958 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.950 -0.453 1.103 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.569 -2.287 -3.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.608 -2.641 1.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.639 -4.018 -1.844 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.168 -4.185 0.558 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.663 2.538 -3.401 1.00 0.00 N ATOM 1034 CA PHE A 65 -7.485 3.511 -2.689 1.00 0.00 C ATOM 1035 C PHE A 65 -8.961 3.259 -2.955 1.00 0.00 C ATOM 1036 O PHE A 65 -9.786 3.319 -2.043 1.00 0.00 O ATOM 1037 CB PHE A 65 -7.126 4.937 -3.095 1.00 0.00 C ATOM 1038 CG PHE A 65 -5.843 5.429 -2.494 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -5.814 5.906 -1.195 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.669 5.417 -3.225 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -4.638 6.363 -0.636 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.488 5.872 -2.672 1.00 0.00 C ATOM 1043 CZ PHE A 65 -3.472 6.347 -1.376 1.00 0.00 C ATOM 0 H PHE A 65 -5.936 2.945 -3.990 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.288 3.394 -1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.052 4.988 -4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.935 5.604 -2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.723 5.921 -0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.676 5.048 -4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.629 6.733 0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.578 5.856 -3.253 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.550 6.705 -0.942 1.00 0.00 H new ATOM 1053 N GLU A 66 -9.287 2.946 -4.201 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.673 2.671 -4.562 1.00 0.00 C ATOM 1055 C GLU A 66 -11.100 1.279 -4.089 1.00 0.00 C ATOM 1056 O GLU A 66 -12.226 1.083 -3.619 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.869 2.794 -6.070 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.422 4.133 -6.630 1.00 0.00 C ATOM 1059 CD GLU A 66 -10.931 4.370 -8.032 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -10.316 3.854 -8.989 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -11.955 5.064 -8.177 1.00 0.00 O ATOM 0 H GLU A 66 -8.622 2.876 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.300 3.410 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.315 1.998 -6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.923 2.644 -6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.775 4.932 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.333 4.179 -6.629 1.00 0.00 H new ATOM 1068 N HIS A 67 -10.193 0.318 -4.201 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.492 -1.061 -3.834 1.00 0.00 C ATOM 1070 C HIS A 67 -10.636 -1.216 -2.327 1.00 0.00 C ATOM 1071 O HIS A 67 -11.581 -1.836 -1.871 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.430 -2.030 -4.373 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.614 -2.370 -5.824 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.455 -3.644 -6.336 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -9.940 -1.586 -6.878 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -9.679 -3.622 -7.638 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -9.975 -2.385 -7.991 1.00 0.00 N ATOM 0 H HIS A 67 -9.244 0.467 -4.543 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.447 -1.314 -4.295 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.443 -1.590 -4.233 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.456 -2.948 -3.786 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.204 -4.471 -5.794 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.137 -0.524 -6.848 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.628 -4.473 -8.302 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.716 -0.640 -1.558 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.771 -0.730 -0.099 1.00 0.00 C ATOM 1088 C GLN A 68 -11.001 -0.002 0.426 1.00 0.00 C ATOM 1089 O GLN A 68 -11.564 -0.371 1.455 1.00 0.00 O ATOM 1090 CB GLN A 68 -8.501 -0.152 0.536 1.00 0.00 C ATOM 1091 CG GLN A 68 -8.351 1.354 0.375 1.00 0.00 C ATOM 1092 CD GLN A 68 -7.027 1.876 0.898 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -6.506 2.875 0.408 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -6.469 1.208 1.896 1.00 0.00 N ATOM 0 H GLN A 68 -8.925 -0.107 -1.918 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.838 -1.783 0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.497 -0.394 1.599 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.633 -0.641 0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.446 1.613 -0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.165 1.853 0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.930 0.382 2.278 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.578 1.519 2.283 1.00 0.00 H new ATOM 1103 N GLU A 69 -11.411 1.023 -0.311 1.00 0.00 N ATOM 1104 CA GLU A 69 -12.624 1.772 -0.007 1.00 0.00 C ATOM 1105 C GLU A 69 -13.828 0.830 0.014 1.00 0.00 C ATOM 1106 O GLU A 69 -14.758 0.996 0.803 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.823 2.860 -1.070 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.995 3.790 -0.812 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.794 4.665 0.407 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -12.869 5.505 0.396 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -14.567 4.526 1.374 1.00 0.00 O ATOM 0 H GLU A 69 -10.913 1.358 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.530 2.237 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.912 3.455 -1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.963 2.381 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.150 4.423 -1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.901 3.198 -0.683 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.784 -0.168 -0.858 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.864 -1.138 -0.985 1.00 0.00 C ATOM 1120 C ARG A 70 -14.405 -2.539 -0.564 1.00 0.00 C ATOM 1121 O ARG A 70 -14.954 -3.543 -1.021 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.356 -1.152 -2.435 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.251 -1.428 -3.445 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.714 -1.207 -4.873 1.00 0.00 C ATOM 1125 NE ARG A 70 -15.764 -2.141 -5.267 1.00 0.00 N ATOM 1126 CZ ARG A 70 -16.339 -2.145 -6.467 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -15.971 -1.265 -7.393 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -17.281 -3.036 -6.747 1.00 0.00 N ATOM 0 H ARG A 70 -13.003 -0.328 -1.494 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.679 -0.847 -0.322 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.132 -1.910 -2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.816 -0.191 -2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.400 -0.780 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.905 -2.455 -3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.081 -0.186 -4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.865 -1.313 -5.548 1.00 0.00 H new ATOM 0 HE ARG A 70 -16.075 -2.831 -4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.243 -0.581 -7.186 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -16.416 -1.274 -8.311 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -17.564 -3.717 -6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -17.722 -3.040 -7.667 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.419 -2.611 0.322 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.832 -3.896 0.699 1.00 0.00 C ATOM 1144 C LYS A 71 -12.397 -3.883 2.163 1.00 0.00 C ATOM 1145 O LYS A 71 -12.887 -3.066 2.945 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.642 -4.199 -0.213 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.542 -5.649 -0.656 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.436 -5.825 -1.690 1.00 0.00 C ATOM 1149 CE LYS A 71 -10.799 -5.197 -3.029 1.00 0.00 C ATOM 1150 NZ LYS A 71 -11.754 -6.037 -3.804 1.00 0.00 N ATOM 0 H LYS A 71 -13.010 -1.803 0.791 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.582 -4.678 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.708 -3.566 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.723 -3.927 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.343 -6.285 0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.494 -5.972 -1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.516 -5.375 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.237 -6.887 -1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.237 -4.213 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.893 -5.046 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.959 -5.579 -4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.334 -6.973 -3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.637 -6.146 -3.265 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.465 -4.778 2.524 1.00 0.00 N ATOM 1165 CA LEU A 72 -11.035 -4.940 3.910 1.00 0.00 C ATOM 1166 C LEU A 72 -12.234 -5.152 4.831 1.00 0.00 C ATOM 1167 O LEU A 72 -12.868 -6.207 4.807 1.00 0.00 O ATOM 1168 CB LEU A 72 -10.210 -3.736 4.388 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.817 -3.588 3.772 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.905 -3.284 2.289 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -8.049 -2.494 4.485 1.00 0.00 C ATOM 0 H LEU A 72 -10.996 -5.401 1.867 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.400 -5.825 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.776 -2.828 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.101 -3.802 5.471 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.289 -4.534 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.900 -3.184 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.426 -4.096 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.452 -2.353 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.059 -2.395 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.586 -1.550 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.949 -2.748 5.540 1.00 0.00 H new ATOM 1183 N HIS A 73 -12.555 -4.135 5.620 1.00 0.00 N ATOM 1184 CA HIS A 73 -13.673 -4.199 6.547 1.00 0.00 C ATOM 1185 C HIS A 73 -14.232 -2.794 6.756 1.00 0.00 C ATOM 1186 O HIS A 73 -14.964 -2.530 7.710 1.00 0.00 O ATOM 1187 CB HIS A 73 -13.200 -4.806 7.873 1.00 0.00 C ATOM 1188 CG HIS A 73 -14.307 -5.276 8.774 1.00 0.00 C ATOM 1189 ND1 HIS A 73 -14.956 -6.479 8.605 1.00 0.00 N ATOM 1190 CD2 HIS A 73 -14.868 -4.705 9.868 1.00 0.00 C ATOM 1191 CE1 HIS A 73 -15.860 -6.628 9.552 1.00 0.00 C ATOM 1192 NE2 HIS A 73 -15.830 -5.567 10.331 1.00 0.00 N ATOM 0 H HIS A 73 -12.050 -3.249 5.635 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.464 -4.831 6.142 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -12.542 -5.648 7.658 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.605 -4.064 8.406 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -14.606 -3.749 10.296 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -16.516 -7.478 9.670 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -16.424 -5.411 11.145 1.00 0.00 H new ATOM 1201 N GLY A 74 -13.871 -1.891 5.847 1.00 0.00 N ATOM 1202 CA GLY A 74 -14.294 -0.505 5.952 1.00 0.00 C ATOM 1203 C GLY A 74 -13.475 0.283 6.958 1.00 0.00 C ATOM 1204 O GLY A 74 -13.634 1.498 7.084 1.00 0.00 O ATOM 0 H GLY A 74 -13.289 -2.097 5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.215 -0.030 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.345 -0.471 6.239 1.00 0.00 H new ATOM 1208 N THR A 75 -12.597 -0.406 7.670 1.00 0.00 N ATOM 1209 CA THR A 75 -11.771 0.218 8.688 1.00 0.00 C ATOM 1210 C THR A 75 -10.583 0.943 8.068 1.00 0.00 C ATOM 1211 O THR A 75 -9.623 0.311 7.630 1.00 0.00 O ATOM 1212 CB THR A 75 -11.256 -0.829 9.688 1.00 0.00 C ATOM 1213 OG1 THR A 75 -10.660 -1.923 8.978 1.00 0.00 O ATOM 1214 CG2 THR A 75 -12.381 -1.343 10.574 1.00 0.00 C ATOM 0 H THR A 75 -12.438 -1.407 7.559 1.00 0.00 H new ATOM 0 HA THR A 75 -12.395 0.944 9.210 1.00 0.00 H new ATOM 0 HB THR A 75 -10.510 -0.354 10.326 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.155 -1.579 8.211 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.986 -2.082 11.271 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.813 -0.512 11.132 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.151 -1.803 9.954 1.00 0.00 H new ATOM 1222 N LEU A 76 -10.659 2.264 8.026 1.00 0.00 N ATOM 1223 CA LEU A 76 -9.594 3.079 7.464 1.00 0.00 C ATOM 1224 C LEU A 76 -9.426 4.374 8.241 1.00 0.00 C ATOM 1225 O LEU A 76 -10.353 4.841 8.906 1.00 0.00 O ATOM 1226 CB LEU A 76 -9.860 3.388 5.989 1.00 0.00 C ATOM 1227 CG LEU A 76 -9.575 2.232 5.034 1.00 0.00 C ATOM 1228 CD1 LEU A 76 -9.960 2.604 3.612 1.00 0.00 C ATOM 1229 CD2 LEU A 76 -8.102 1.849 5.110 1.00 0.00 C ATOM 0 H LEU A 76 -11.454 2.798 8.378 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.670 2.506 7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.902 3.686 5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.251 4.243 5.695 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.177 1.373 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.749 1.767 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.024 2.839 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.384 3.473 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.905 1.023 4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.488 2.706 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.857 1.544 6.127 1.00 0.00 H new ATOM 1241 N PRO A 77 -8.224 4.951 8.174 1.00 0.00 N ATOM 1242 CA PRO A 77 -7.893 6.200 8.844 1.00 0.00 C ATOM 1243 C PRO A 77 -8.146 7.413 7.946 1.00 0.00 C ATOM 1244 O PRO A 77 -8.749 7.285 6.878 1.00 0.00 O ATOM 1245 CB PRO A 77 -6.406 6.001 9.102 1.00 0.00 C ATOM 1246 CG PRO A 77 -5.923 5.304 7.879 1.00 0.00 C ATOM 1247 CD PRO A 77 -7.061 4.418 7.436 1.00 0.00 C ATOM 0 HA PRO A 77 -8.487 6.399 9.736 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.895 6.952 9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.232 5.404 9.997 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.658 6.019 7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.029 4.717 8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.213 4.469 6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.875 3.373 7.682 1.00 0.00 H new ATOM 1255 N LYS A 78 -7.691 8.582 8.372 1.00 0.00 N ATOM 1256 CA LYS A 78 -7.838 9.787 7.568 1.00 0.00 C ATOM 1257 C LYS A 78 -6.598 10.025 6.721 1.00 0.00 C ATOM 1258 O LYS A 78 -5.659 10.696 7.149 1.00 0.00 O ATOM 1259 CB LYS A 78 -8.106 11.008 8.449 1.00 0.00 C ATOM 1260 CG LYS A 78 -9.533 11.093 8.960 1.00 0.00 C ATOM 1261 CD LYS A 78 -10.522 11.255 7.821 1.00 0.00 C ATOM 1262 CE LYS A 78 -11.922 11.547 8.336 1.00 0.00 C ATOM 1263 NZ LYS A 78 -11.988 12.831 9.090 1.00 0.00 N ATOM 0 H LYS A 78 -7.219 8.722 9.265 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.694 9.640 6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.426 10.987 9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.879 11.911 7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.772 10.193 9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.625 11.935 9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.197 12.065 7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.537 10.347 7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.616 11.585 7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.247 10.731 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.979 13.135 9.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.587 12.697 10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.444 13.559 8.584 1.00 0.00 H new ATOM 1277 N LEU A 79 -6.591 9.461 5.525 1.00 0.00 N ATOM 1278 CA LEU A 79 -5.468 9.632 4.620 1.00 0.00 C ATOM 1279 C LEU A 79 -5.757 10.735 3.622 1.00 0.00 C ATOM 1280 O LEU A 79 -6.713 10.654 2.855 1.00 0.00 O ATOM 1281 CB LEU A 79 -5.169 8.342 3.858 1.00 0.00 C ATOM 1282 CG LEU A 79 -4.925 7.107 4.724 1.00 0.00 C ATOM 1283 CD1 LEU A 79 -4.781 5.867 3.855 1.00 0.00 C ATOM 1284 CD2 LEU A 79 -3.690 7.301 5.591 1.00 0.00 C ATOM 0 H LEU A 79 -7.348 8.883 5.159 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.600 9.897 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.003 8.135 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.291 8.505 3.233 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.785 6.968 5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.608 4.997 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.694 5.719 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.938 5.995 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.531 6.412 6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.821 7.465 4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.833 8.166 6.239 1.00 0.00 H new ATOM 1296 N ASN A 80 -4.917 11.750 3.626 1.00 0.00 N ATOM 1297 CA ASN A 80 -4.992 12.820 2.635 1.00 0.00 C ATOM 1298 C ASN A 80 -4.397 12.361 1.307 1.00 0.00 C ATOM 1299 O ASN A 80 -3.983 13.168 0.474 1.00 0.00 O ATOM 1300 CB ASN A 80 -4.232 14.050 3.131 1.00 0.00 C ATOM 1301 CG ASN A 80 -2.778 13.742 3.452 1.00 0.00 C ATOM 1302 OD1 ASN A 80 -2.411 13.549 4.609 1.00 0.00 O ATOM 1303 ND2 ASN A 80 -1.958 13.629 2.419 1.00 0.00 N ATOM 0 H ASN A 80 -4.167 11.862 4.308 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.041 13.076 2.487 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.276 14.831 2.372 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -4.723 14.442 4.022 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.982 13.373 2.568 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.302 13.798 1.474 1.00 0.00 H new ATOM 1310 N PHE A 81 -4.379 11.060 1.108 1.00 0.00 N ATOM 1311 CA PHE A 81 -3.711 10.462 -0.035 1.00 0.00 C ATOM 1312 C PHE A 81 -4.706 10.136 -1.140 1.00 0.00 C ATOM 1313 O PHE A 81 -4.382 9.430 -2.094 1.00 0.00 O ATOM 1314 CB PHE A 81 -2.956 9.203 0.397 1.00 0.00 C ATOM 1315 CG PHE A 81 -1.810 9.481 1.329 1.00 0.00 C ATOM 1316 CD1 PHE A 81 -2.008 9.535 2.699 1.00 0.00 C ATOM 1317 CD2 PHE A 81 -0.534 9.688 0.833 1.00 0.00 C ATOM 1318 CE1 PHE A 81 -0.956 9.794 3.556 1.00 0.00 C ATOM 1319 CE2 PHE A 81 0.523 9.947 1.684 1.00 0.00 C ATOM 1320 CZ PHE A 81 0.310 9.999 3.048 1.00 0.00 C ATOM 0 H PHE A 81 -4.825 10.386 1.731 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.996 11.183 -0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.653 8.520 0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.578 8.694 -0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.997 9.373 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.363 9.646 -0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.124 9.836 4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.513 10.108 1.284 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.134 10.200 3.716 1.00 0.00 H new ATOM 1330 N GLY A 82 -5.913 10.680 -1.020 1.00 0.00 N ATOM 1331 CA GLY A 82 -6.917 10.497 -2.052 1.00 0.00 C ATOM 1332 C GLY A 82 -6.548 11.244 -3.317 1.00 0.00 C ATOM 1333 O GLY A 82 -7.136 11.030 -4.378 1.00 0.00 O ATOM 0 H GLY A 82 -6.214 11.245 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.025 9.435 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.883 10.847 -1.689 1.00 0.00 H new ATOM 1337 N MET A 83 -5.554 12.114 -3.193 1.00 0.00 N ATOM 1338 CA MET A 83 -5.029 12.877 -4.325 1.00 0.00 C ATOM 1339 C MET A 83 -4.335 11.967 -5.341 1.00 0.00 C ATOM 1340 O MET A 83 -3.992 12.394 -6.443 1.00 0.00 O ATOM 1341 CB MET A 83 -4.074 13.984 -3.835 1.00 0.00 C ATOM 1342 CG MET A 83 -2.974 13.517 -2.877 1.00 0.00 C ATOM 1343 SD MET A 83 -1.730 12.464 -3.656 1.00 0.00 S ATOM 1344 CE MET A 83 -0.836 11.868 -2.219 1.00 0.00 C ATOM 0 H MET A 83 -5.088 12.313 -2.308 1.00 0.00 H new ATOM 0 HA MET A 83 -5.872 13.348 -4.830 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.605 14.448 -4.703 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.662 14.756 -3.339 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.482 14.391 -2.450 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.431 12.973 -2.050 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.214 11.728 -2.476 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.918 12.596 -1.412 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.260 10.917 -1.895 1.00 0.00 H new ATOM 1354 N LEU A 84 -4.146 10.709 -4.970 1.00 0.00 N ATOM 1355 CA LEU A 84 -3.522 9.735 -5.855 1.00 0.00 C ATOM 1356 C LEU A 84 -4.550 9.085 -6.775 1.00 0.00 C ATOM 1357 O LEU A 84 -4.206 8.260 -7.622 1.00 0.00 O ATOM 1358 CB LEU A 84 -2.809 8.655 -5.042 1.00 0.00 C ATOM 1359 CG LEU A 84 -1.480 9.071 -4.418 1.00 0.00 C ATOM 1360 CD1 LEU A 84 -0.945 7.963 -3.532 1.00 0.00 C ATOM 1361 CD2 LEU A 84 -0.467 9.418 -5.498 1.00 0.00 C ATOM 0 H LEU A 84 -4.417 10.338 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.794 10.266 -6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.476 8.324 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.633 7.795 -5.688 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.649 9.957 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.003 8.274 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.661 7.755 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.792 7.063 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.474 9.712 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.301 8.549 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.847 10.242 -6.102 1.00 0.00 H new ATOM 1373 N ARG A 85 -5.816 9.458 -6.618 1.00 0.00 N ATOM 1374 CA ARG A 85 -6.879 8.867 -7.422 1.00 0.00 C ATOM 1375 C ARG A 85 -6.929 9.484 -8.815 1.00 0.00 C ATOM 1376 O ARG A 85 -7.802 10.298 -9.115 1.00 0.00 O ATOM 1377 CB ARG A 85 -8.240 9.004 -6.738 1.00 0.00 C ATOM 1378 CG ARG A 85 -8.345 8.237 -5.432 1.00 0.00 C ATOM 1379 CD ARG A 85 -9.763 8.258 -4.890 1.00 0.00 C ATOM 1380 NE ARG A 85 -10.701 7.562 -5.776 1.00 0.00 N ATOM 1381 CZ ARG A 85 -12.012 7.810 -5.820 1.00 0.00 C ATOM 1382 NH1 ARG A 85 -12.547 8.749 -5.047 1.00 0.00 N ATOM 1383 NH2 ARG A 85 -12.790 7.123 -6.643 1.00 0.00 N ATOM 0 H ARG A 85 -6.129 10.160 -5.948 1.00 0.00 H new ATOM 0 HA ARG A 85 -6.651 7.806 -7.522 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.436 10.059 -6.547 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.016 8.654 -7.419 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.029 7.206 -5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.667 8.671 -4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.781 7.792 -3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -10.086 9.291 -4.760 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.329 6.844 -6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -11.955 9.287 -4.414 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -13.550 8.932 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.388 6.404 -7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.792 7.313 -6.676 1.00 0.00 H new ATOM 1397 N LYS A 86 -5.948 9.120 -9.638 1.00 0.00 N ATOM 1398 CA LYS A 86 -5.892 9.527 -11.047 1.00 0.00 C ATOM 1399 C LYS A 86 -5.732 11.036 -11.201 1.00 0.00 C ATOM 1400 O LYS A 86 -5.917 11.583 -12.289 1.00 0.00 O ATOM 1401 CB LYS A 86 -7.134 9.036 -11.799 1.00 0.00 C ATOM 1402 CG LYS A 86 -7.257 7.522 -11.819 1.00 0.00 C ATOM 1403 CD LYS A 86 -6.041 6.878 -12.466 1.00 0.00 C ATOM 1404 CE LYS A 86 -6.052 5.370 -12.292 1.00 0.00 C ATOM 1405 NZ LYS A 86 -4.915 4.716 -12.994 1.00 0.00 N ATOM 0 H LYS A 86 -5.166 8.533 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.009 9.062 -11.485 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.024 9.461 -11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.101 9.406 -12.824 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.369 7.151 -10.800 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.156 7.235 -12.364 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.020 7.123 -13.528 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.133 7.290 -12.026 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.009 5.128 -11.230 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.991 4.969 -12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.962 3.687 -12.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.969 4.924 -14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.017 5.079 -12.614 1.00 0.00 H new ATOM 1419 N MET A 87 -5.369 11.699 -10.113 1.00 0.00 N ATOM 1420 CA MET A 87 -5.140 13.135 -10.135 1.00 0.00 C ATOM 1421 C MET A 87 -3.680 13.420 -10.459 1.00 0.00 C ATOM 1422 O MET A 87 -3.322 14.523 -10.872 1.00 0.00 O ATOM 1423 CB MET A 87 -5.518 13.749 -8.788 1.00 0.00 C ATOM 1424 CG MET A 87 -6.940 13.428 -8.356 1.00 0.00 C ATOM 1425 SD MET A 87 -7.315 14.014 -6.694 1.00 0.00 S ATOM 1426 CE MET A 87 -8.933 13.285 -6.442 1.00 0.00 C ATOM 0 H MET A 87 -5.227 11.263 -9.202 1.00 0.00 H new ATOM 0 HA MET A 87 -5.765 13.584 -10.907 1.00 0.00 H new ATOM 0 HB2 MET A 87 -4.825 13.391 -8.027 1.00 0.00 H new ATOM 0 HB3 MET A 87 -5.399 14.831 -8.844 1.00 0.00 H new ATOM 0 HG2 MET A 87 -7.639 13.878 -9.061 1.00 0.00 H new ATOM 0 HG3 MET A 87 -7.093 12.350 -8.399 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.519 13.920 -5.777 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.444 13.194 -7.400 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.821 12.297 -5.995 1.00 0.00 H new ATOM 1436 N GLY A 88 -2.845 12.408 -10.275 1.00 0.00 N ATOM 1437 CA GLY A 88 -1.440 12.535 -10.587 1.00 0.00 C ATOM 1438 C GLY A 88 -1.137 12.031 -11.982 1.00 0.00 C ATOM 1439 O GLY A 88 -1.862 11.130 -12.454 1.00 0.00 O ATOM 1440 OXT GLY A 88 -0.191 12.542 -12.614 1.00 0.00 O ATOM 0 H GLY A 88 -3.120 11.495 -9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.140 13.579 -10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.852 11.975 -9.860 1.00 0.00 H new TER 1444 GLY A 88