USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -9:sc= 0.493 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00741 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -142:sc= -11.5! (180deg=-15.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -83:sc= 0.0559 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 9:sc= 0.413! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 151:sc= -0.504 (180deg=-2.46!) USER MOD Single : A 39 THR OG1 : rot 100:sc= -3.73! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.123) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -136:sc= -0.529 (180deg=-0.926) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 5 0.925 -31.514 5.118 1.00 0.00 N ATOM 61 CA ASP A 5 -0.043 -31.448 6.250 1.00 0.00 C ATOM 62 C ASP A 5 -1.412 -30.976 5.751 1.00 0.00 C ATOM 63 O ASP A 5 -1.559 -30.542 4.626 1.00 0.00 O ATOM 64 CB ASP A 5 0.555 -30.429 7.220 1.00 0.00 C ATOM 65 CG ASP A 5 0.532 -31.000 8.639 1.00 0.00 C ATOM 66 OD1 ASP A 5 1.087 -32.068 8.834 1.00 0.00 O ATOM 67 OD2 ASP A 5 -0.041 -30.360 9.505 1.00 0.00 O ATOM 0 HA ASP A 5 -0.196 -32.419 6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.578 -30.191 6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.012 -29.499 7.182 1.00 0.00 H new ATOM 72 N CYS A 6 -2.414 -31.057 6.584 1.00 0.00 N ATOM 73 CA CYS A 6 -3.774 -30.612 6.167 1.00 0.00 C ATOM 74 C CYS A 6 -4.534 -30.061 7.377 1.00 0.00 C ATOM 75 O CYS A 6 -4.149 -30.273 8.509 1.00 0.00 O ATOM 76 CB CYS A 6 -4.458 -31.872 5.632 1.00 0.00 C ATOM 77 SG CYS A 6 -3.575 -32.463 4.167 1.00 0.00 S ATOM 0 H CYS A 6 -2.349 -31.413 7.538 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.742 -29.820 5.419 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.470 -32.646 6.399 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.497 -31.656 5.381 1.00 0.00 H new ATOM 82 N CYS A 7 -5.607 -29.351 7.151 1.00 0.00 N ATOM 83 CA CYS A 7 -6.375 -28.790 8.300 1.00 0.00 C ATOM 84 C CYS A 7 -7.877 -28.801 8.009 1.00 0.00 C ATOM 85 O CYS A 7 -8.305 -28.707 6.875 1.00 0.00 O ATOM 86 CB CYS A 7 -5.877 -27.353 8.440 1.00 0.00 C ATOM 87 SG CYS A 7 -5.155 -27.120 10.083 1.00 0.00 S ATOM 0 H CYS A 7 -5.983 -29.136 6.227 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.228 -29.373 9.209 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.135 -27.138 7.671 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.701 -26.655 8.291 1.00 0.00 H new ATOM 92 N THR A 8 -8.679 -28.903 9.034 1.00 0.00 N ATOM 93 CA THR A 8 -10.157 -28.906 8.835 1.00 0.00 C ATOM 94 C THR A 8 -10.706 -27.500 9.093 1.00 0.00 C ATOM 95 O THR A 8 -11.715 -27.103 8.545 1.00 0.00 O ATOM 96 CB THR A 8 -10.700 -29.895 9.870 1.00 0.00 C ATOM 97 OG1 THR A 8 -9.837 -29.921 10.998 1.00 0.00 O ATOM 98 CG2 THR A 8 -10.777 -31.292 9.254 1.00 0.00 C ATOM 0 H THR A 8 -8.373 -28.985 10.004 1.00 0.00 H new ATOM 0 HA THR A 8 -10.445 -29.190 7.823 1.00 0.00 H new ATOM 0 HB THR A 8 -11.697 -29.582 10.181 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.185 -30.553 11.662 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.164 -31.994 9.992 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.441 -31.272 8.389 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.782 -31.607 8.940 1.00 0.00 H new ATOM 106 N SER A 9 -10.033 -26.746 9.918 1.00 0.00 N ATOM 107 CA SER A 9 -10.490 -25.358 10.217 1.00 0.00 C ATOM 108 C SER A 9 -9.341 -24.378 9.967 1.00 0.00 C ATOM 109 O SER A 9 -8.362 -24.714 9.332 1.00 0.00 O ATOM 110 CB SER A 9 -10.871 -25.375 11.698 1.00 0.00 C ATOM 111 OG SER A 9 -12.200 -25.856 11.839 1.00 0.00 O ATOM 0 H SER A 9 -9.181 -27.033 10.401 1.00 0.00 H new ATOM 0 HA SER A 9 -11.326 -25.046 9.591 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.182 -26.010 12.255 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.789 -24.372 12.117 1.00 0.00 H new ATOM 0 HG SER A 9 -12.444 -25.869 12.788 1.00 0.00 H new ATOM 117 N TYR A 10 -9.444 -23.173 10.459 1.00 0.00 N ATOM 118 CA TYR A 10 -8.345 -22.188 10.239 1.00 0.00 C ATOM 119 C TYR A 10 -8.248 -21.224 11.424 1.00 0.00 C ATOM 120 O TYR A 10 -8.880 -21.414 12.444 1.00 0.00 O ATOM 121 CB TYR A 10 -8.731 -21.447 8.958 1.00 0.00 C ATOM 122 CG TYR A 10 -8.725 -22.422 7.805 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.557 -23.128 7.495 1.00 0.00 C ATOM 124 CD2 TYR A 10 -9.888 -22.629 7.055 1.00 0.00 C ATOM 125 CE1 TYR A 10 -7.552 -24.042 6.434 1.00 0.00 C ATOM 126 CE2 TYR A 10 -9.883 -23.542 5.992 1.00 0.00 C ATOM 127 CZ TYR A 10 -8.715 -24.249 5.682 1.00 0.00 C ATOM 128 OH TYR A 10 -8.710 -25.150 4.638 1.00 0.00 O ATOM 0 H TYR A 10 -10.237 -22.829 11.001 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.370 -22.667 10.150 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.718 -20.998 9.066 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.030 -20.634 8.767 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.660 -22.968 8.074 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.790 -22.085 7.295 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.651 -24.587 6.196 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.780 -23.700 5.412 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.792 -25.447 4.467 1.00 0.00 H new ATOM 138 N ILE A 11 -7.457 -20.192 11.301 1.00 0.00 N ATOM 139 CA ILE A 11 -7.318 -19.226 12.428 1.00 0.00 C ATOM 140 C ILE A 11 -8.619 -18.434 12.602 1.00 0.00 C ATOM 141 O ILE A 11 -9.428 -18.345 11.699 1.00 0.00 O ATOM 142 CB ILE A 11 -6.152 -18.301 12.045 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.626 -17.226 11.062 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.021 -19.110 11.403 1.00 0.00 C ATOM 145 CD1 ILE A 11 -6.936 -17.867 9.707 1.00 0.00 C ATOM 0 H ILE A 11 -6.903 -19.977 10.472 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.123 -19.727 13.376 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.783 -17.822 12.952 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.514 -16.729 11.452 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.858 -16.461 10.946 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.202 -18.442 11.137 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.663 -19.859 12.109 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.392 -19.605 10.506 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.273 -17.100 9.010 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.037 -18.343 9.316 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.719 -18.615 9.829 1.00 0.00 H new ATOM 157 N SER A 12 -8.830 -17.865 13.757 1.00 0.00 N ATOM 158 CA SER A 12 -10.079 -17.089 13.993 1.00 0.00 C ATOM 159 C SER A 12 -9.858 -15.605 13.685 1.00 0.00 C ATOM 160 O SER A 12 -10.757 -14.797 13.803 1.00 0.00 O ATOM 161 CB SER A 12 -10.383 -17.295 15.477 1.00 0.00 C ATOM 162 OG SER A 12 -10.395 -16.041 16.144 1.00 0.00 O ATOM 0 H SER A 12 -8.189 -17.905 14.549 1.00 0.00 H new ATOM 0 HA SER A 12 -10.899 -17.416 13.354 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.347 -17.789 15.595 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.633 -17.948 15.924 1.00 0.00 H new ATOM 0 HG SER A 12 -10.592 -16.178 17.094 1.00 0.00 H new ATOM 168 N GLN A 13 -8.671 -15.241 13.292 1.00 0.00 N ATOM 169 CA GLN A 13 -8.398 -13.809 12.979 1.00 0.00 C ATOM 170 C GLN A 13 -7.351 -13.706 11.869 1.00 0.00 C ATOM 171 O GLN A 13 -6.802 -14.693 11.428 1.00 0.00 O ATOM 172 CB GLN A 13 -7.858 -13.215 14.281 1.00 0.00 C ATOM 173 CG GLN A 13 -6.620 -13.998 14.722 1.00 0.00 C ATOM 174 CD GLN A 13 -5.957 -13.278 15.899 1.00 0.00 C ATOM 175 OE1 GLN A 13 -6.147 -13.652 17.039 1.00 0.00 O ATOM 176 NE2 GLN A 13 -5.179 -12.256 15.669 1.00 0.00 N ATOM 0 H GLN A 13 -7.878 -15.871 13.174 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.287 -13.284 12.630 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.605 -12.165 14.137 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.623 -13.255 15.057 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.901 -15.011 15.012 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.918 -14.087 13.893 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.019 -11.942 14.712 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.730 -11.771 16.446 1.00 0.00 H new ATOM 185 N SER A 14 -7.069 -12.518 11.414 1.00 0.00 N ATOM 186 CA SER A 14 -6.054 -12.363 10.334 1.00 0.00 C ATOM 187 C SER A 14 -4.808 -13.191 10.658 1.00 0.00 C ATOM 188 O SER A 14 -4.471 -13.399 11.807 1.00 0.00 O ATOM 189 CB SER A 14 -5.720 -10.871 10.322 1.00 0.00 C ATOM 190 OG SER A 14 -5.341 -10.480 9.011 1.00 0.00 O ATOM 0 H SER A 14 -7.495 -11.651 11.741 1.00 0.00 H new ATOM 0 HA SER A 14 -6.420 -12.708 9.367 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.583 -10.292 10.650 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.911 -10.663 11.023 1.00 0.00 H new ATOM 0 HG SER A 14 -5.129 -9.523 9.003 1.00 0.00 H new ATOM 196 N ILE A 15 -4.118 -13.663 9.655 1.00 0.00 N ATOM 197 CA ILE A 15 -2.893 -14.473 9.908 1.00 0.00 C ATOM 198 C ILE A 15 -1.777 -13.564 10.435 1.00 0.00 C ATOM 199 O ILE A 15 -1.562 -12.483 9.924 1.00 0.00 O ATOM 200 CB ILE A 15 -2.529 -15.063 8.545 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.417 -16.278 8.270 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.064 -15.498 8.544 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.239 -17.300 9.395 1.00 0.00 C ATOM 0 H ILE A 15 -4.350 -13.522 8.672 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.043 -15.254 10.654 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.681 -14.310 7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.461 -15.972 8.203 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.154 -16.726 7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.810 -15.918 7.571 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.428 -14.636 8.745 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.908 -16.251 9.316 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.871 -18.167 9.202 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.196 -17.613 9.440 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.523 -16.848 10.345 1.00 0.00 H new ATOM 215 N PRO A 16 -1.114 -14.032 11.457 1.00 0.00 N ATOM 216 CA PRO A 16 -0.022 -13.253 12.085 1.00 0.00 C ATOM 217 C PRO A 16 1.277 -13.373 11.282 1.00 0.00 C ATOM 218 O PRO A 16 2.241 -13.960 11.731 1.00 0.00 O ATOM 219 CB PRO A 16 0.134 -13.903 13.453 1.00 0.00 C ATOM 220 CG PRO A 16 -0.373 -15.305 13.290 1.00 0.00 C ATOM 221 CD PRO A 16 -1.324 -15.323 12.117 1.00 0.00 C ATOM 0 HA PRO A 16 -0.242 -12.187 12.136 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.176 -13.897 13.774 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.436 -13.365 14.211 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.455 -15.993 13.120 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.880 -15.635 14.197 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.109 -16.153 11.444 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.357 -15.438 12.445 1.00 0.00 H new ATOM 229 N CYS A 17 1.317 -12.818 10.102 1.00 0.00 N ATOM 230 CA CYS A 17 2.561 -12.899 9.284 1.00 0.00 C ATOM 231 C CYS A 17 3.719 -12.208 10.008 1.00 0.00 C ATOM 232 O CYS A 17 4.873 -12.405 9.682 1.00 0.00 O ATOM 233 CB CYS A 17 2.229 -12.161 7.990 1.00 0.00 C ATOM 234 SG CYS A 17 0.679 -12.803 7.324 1.00 0.00 S ATOM 0 H CYS A 17 0.544 -12.313 9.669 1.00 0.00 H new ATOM 0 HA CYS A 17 2.868 -13.929 9.103 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.142 -11.091 8.179 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.033 -12.293 7.265 1.00 0.00 H new ATOM 239 N SER A 18 3.419 -11.399 10.989 1.00 0.00 N ATOM 240 CA SER A 18 4.501 -10.686 11.732 1.00 0.00 C ATOM 241 C SER A 18 5.340 -11.665 12.562 1.00 0.00 C ATOM 242 O SER A 18 6.261 -11.270 13.251 1.00 0.00 O ATOM 243 CB SER A 18 3.771 -9.702 12.646 1.00 0.00 C ATOM 244 OG SER A 18 4.571 -8.544 12.829 1.00 0.00 O ATOM 0 H SER A 18 2.471 -11.200 11.309 1.00 0.00 H new ATOM 0 HA SER A 18 5.193 -10.187 11.054 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.810 -9.428 12.210 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.563 -10.169 13.609 1.00 0.00 H new ATOM 0 HG SER A 18 4.103 -7.912 13.414 1.00 0.00 H new ATOM 250 N LEU A 19 5.037 -12.932 12.509 1.00 0.00 N ATOM 251 CA LEU A 19 5.827 -13.915 13.301 1.00 0.00 C ATOM 252 C LEU A 19 6.104 -15.172 12.471 1.00 0.00 C ATOM 253 O LEU A 19 6.693 -16.121 12.949 1.00 0.00 O ATOM 254 CB LEU A 19 4.947 -14.255 14.504 1.00 0.00 C ATOM 255 CG LEU A 19 5.085 -13.163 15.564 1.00 0.00 C ATOM 256 CD1 LEU A 19 3.757 -13.005 16.308 1.00 0.00 C ATOM 257 CD2 LEU A 19 6.182 -13.553 16.556 1.00 0.00 C ATOM 0 H LEU A 19 4.279 -13.328 11.953 1.00 0.00 H new ATOM 0 HA LEU A 19 6.795 -13.514 13.601 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.906 -14.344 14.193 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.239 -15.219 14.920 1.00 0.00 H new ATOM 0 HG LEU A 19 5.347 -12.220 15.084 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.854 -12.226 17.064 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.975 -12.729 15.601 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.495 -13.947 16.789 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.282 -12.775 17.313 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.920 -14.495 17.037 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.128 -13.667 16.026 1.00 0.00 H new ATOM 269 N MET A 20 5.689 -15.191 11.232 1.00 0.00 N ATOM 270 CA MET A 20 5.942 -16.398 10.394 1.00 0.00 C ATOM 271 C MET A 20 7.215 -16.210 9.569 1.00 0.00 C ATOM 272 O MET A 20 7.421 -15.186 8.949 1.00 0.00 O ATOM 273 CB MET A 20 4.732 -16.541 9.462 1.00 0.00 C ATOM 274 CG MET A 20 3.434 -16.189 10.198 1.00 0.00 C ATOM 275 SD MET A 20 2.893 -17.603 11.190 1.00 0.00 S ATOM 276 CE MET A 20 1.113 -17.335 11.007 1.00 0.00 C ATOM 0 H MET A 20 5.191 -14.431 10.768 1.00 0.00 H new ATOM 0 HA MET A 20 6.075 -17.285 11.013 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.854 -15.888 8.598 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.676 -17.562 9.085 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.592 -15.322 10.839 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.660 -15.918 9.480 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.611 -17.570 11.946 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.927 -16.293 10.747 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.727 -17.980 10.218 1.00 0.00 H new ATOM 286 N LYS A 21 8.064 -17.196 9.550 1.00 0.00 N ATOM 287 CA LYS A 21 9.318 -17.084 8.756 1.00 0.00 C ATOM 288 C LYS A 21 9.113 -17.705 7.370 1.00 0.00 C ATOM 289 O LYS A 21 9.814 -17.392 6.429 1.00 0.00 O ATOM 290 CB LYS A 21 10.373 -17.854 9.556 1.00 0.00 C ATOM 291 CG LYS A 21 10.189 -19.360 9.344 1.00 0.00 C ATOM 292 CD LYS A 21 11.282 -19.877 8.405 1.00 0.00 C ATOM 293 CE LYS A 21 11.296 -21.406 8.432 1.00 0.00 C ATOM 294 NZ LYS A 21 12.504 -21.790 7.648 1.00 0.00 N ATOM 0 H LYS A 21 7.944 -18.077 10.051 1.00 0.00 H new ATOM 0 HA LYS A 21 9.621 -16.049 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.372 -17.553 9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.286 -17.613 10.616 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.238 -19.882 10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.205 -19.562 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.102 -19.522 7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.253 -19.488 8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.351 -21.783 9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.389 -21.818 7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.584 -22.826 7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.420 -21.423 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.352 -21.389 8.098 1.00 0.00 H new ATOM 308 N SER A 22 8.154 -18.584 7.239 1.00 0.00 N ATOM 309 CA SER A 22 7.904 -19.222 5.914 1.00 0.00 C ATOM 310 C SER A 22 6.439 -19.653 5.808 1.00 0.00 C ATOM 311 O SER A 22 5.678 -19.525 6.743 1.00 0.00 O ATOM 312 CB SER A 22 8.825 -20.443 5.883 1.00 0.00 C ATOM 313 OG SER A 22 9.459 -20.525 4.616 1.00 0.00 O ATOM 0 H SER A 22 7.535 -18.887 7.991 1.00 0.00 H new ATOM 0 HA SER A 22 8.099 -18.544 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.573 -20.368 6.672 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.251 -21.350 6.074 1.00 0.00 H new ATOM 0 HG SER A 22 10.051 -21.306 4.596 1.00 0.00 H new ATOM 319 N TYR A 23 6.039 -20.162 4.675 1.00 0.00 N ATOM 320 CA TYR A 23 4.623 -20.608 4.512 1.00 0.00 C ATOM 321 C TYR A 23 4.559 -21.766 3.511 1.00 0.00 C ATOM 322 O TYR A 23 5.372 -21.859 2.612 1.00 0.00 O ATOM 323 CB TYR A 23 3.879 -19.385 3.978 1.00 0.00 C ATOM 324 CG TYR A 23 4.268 -19.145 2.539 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.705 -19.925 1.523 1.00 0.00 C ATOM 326 CD2 TYR A 23 5.190 -18.140 2.220 1.00 0.00 C ATOM 327 CE1 TYR A 23 4.062 -19.702 0.188 1.00 0.00 C ATOM 328 CE2 TYR A 23 5.548 -17.917 0.885 1.00 0.00 C ATOM 329 CZ TYR A 23 4.984 -18.698 -0.131 1.00 0.00 C ATOM 330 OH TYR A 23 5.336 -18.478 -1.447 1.00 0.00 O ATOM 0 H TYR A 23 6.631 -20.289 3.854 1.00 0.00 H new ATOM 0 HA TYR A 23 4.186 -20.966 5.444 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.803 -19.540 4.054 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.118 -18.509 4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.994 -20.700 1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.625 -17.537 3.004 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.626 -20.304 -0.596 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.259 -17.142 0.639 1.00 0.00 H new ATOM 0 HH TYR A 23 5.985 -17.745 -1.494 1.00 0.00 H new ATOM 340 N PHE A 24 3.605 -22.652 3.647 1.00 0.00 N ATOM 341 CA PHE A 24 3.522 -23.785 2.681 1.00 0.00 C ATOM 342 C PHE A 24 2.071 -24.217 2.473 1.00 0.00 C ATOM 343 O PHE A 24 1.272 -24.211 3.389 1.00 0.00 O ATOM 344 CB PHE A 24 4.347 -24.918 3.311 1.00 0.00 C ATOM 345 CG PHE A 24 3.519 -25.673 4.332 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.606 -26.656 3.917 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.673 -25.395 5.696 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.851 -27.355 4.867 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.918 -26.096 6.644 1.00 0.00 C ATOM 350 CZ PHE A 24 2.007 -27.075 6.230 1.00 0.00 C ATOM 0 H PHE A 24 2.890 -22.640 4.375 1.00 0.00 H new ATOM 0 HA PHE A 24 3.903 -23.507 1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.689 -25.602 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.236 -24.506 3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.486 -26.873 2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.375 -24.639 6.017 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.148 -28.110 4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.039 -25.881 7.696 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.424 -27.614 6.962 1.00 0.00 H new ATOM 360 N GLU A 25 1.730 -24.607 1.278 1.00 0.00 N ATOM 361 CA GLU A 25 0.339 -25.057 1.012 1.00 0.00 C ATOM 362 C GLU A 25 0.246 -26.562 1.257 1.00 0.00 C ATOM 363 O GLU A 25 1.236 -27.264 1.224 1.00 0.00 O ATOM 364 CB GLU A 25 0.085 -24.734 -0.460 1.00 0.00 C ATOM 365 CG GLU A 25 0.077 -23.215 -0.654 1.00 0.00 C ATOM 366 CD GLU A 25 -0.752 -22.864 -1.893 1.00 0.00 C ATOM 367 OE1 GLU A 25 -1.747 -23.531 -2.123 1.00 0.00 O ATOM 368 OE2 GLU A 25 -0.375 -21.936 -2.588 1.00 0.00 O ATOM 0 H GLU A 25 2.356 -24.633 0.473 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.393 -24.571 1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.857 -25.187 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.868 -25.157 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.341 -22.727 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.096 -22.847 -0.769 1.00 0.00 H new ATOM 375 N THR A 26 -0.926 -27.067 1.512 1.00 0.00 N ATOM 376 CA THR A 26 -1.050 -28.529 1.765 1.00 0.00 C ATOM 377 C THR A 26 -1.028 -29.297 0.441 1.00 0.00 C ATOM 378 O THR A 26 -0.757 -28.743 -0.606 1.00 0.00 O ATOM 379 CB THR A 26 -2.401 -28.707 2.463 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.435 -28.218 1.618 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.409 -27.937 3.784 1.00 0.00 C ATOM 0 H THR A 26 -1.797 -26.538 1.556 1.00 0.00 H new ATOM 0 HA THR A 26 -0.228 -28.910 2.371 1.00 0.00 H new ATOM 0 HB THR A 26 -2.566 -29.765 2.667 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.510 -27.246 1.721 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.373 -28.068 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.618 -28.316 4.431 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.242 -26.878 3.589 1.00 0.00 H new ATOM 389 N SER A 27 -1.316 -30.567 0.480 1.00 0.00 N ATOM 390 CA SER A 27 -1.317 -31.371 -0.776 1.00 0.00 C ATOM 391 C SER A 27 -2.744 -31.500 -1.316 1.00 0.00 C ATOM 392 O SER A 27 -3.693 -31.609 -0.565 1.00 0.00 O ATOM 393 CB SER A 27 -0.770 -32.739 -0.369 1.00 0.00 C ATOM 394 OG SER A 27 0.477 -32.573 0.289 1.00 0.00 O ATOM 0 H SER A 27 -1.551 -31.085 1.327 1.00 0.00 H new ATOM 0 HA SER A 27 -0.719 -30.912 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.477 -33.244 0.290 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.648 -33.370 -1.249 1.00 0.00 H new ATOM 0 HG SER A 27 0.827 -33.450 0.552 1.00 0.00 H new ATOM 400 N SER A 28 -2.904 -31.483 -2.612 1.00 0.00 N ATOM 401 CA SER A 28 -4.272 -31.602 -3.195 1.00 0.00 C ATOM 402 C SER A 28 -4.846 -32.997 -2.935 1.00 0.00 C ATOM 403 O SER A 28 -5.994 -33.270 -3.222 1.00 0.00 O ATOM 404 CB SER A 28 -4.086 -31.368 -4.695 1.00 0.00 C ATOM 405 OG SER A 28 -5.109 -32.044 -5.410 1.00 0.00 O ATOM 0 H SER A 28 -2.148 -31.392 -3.291 1.00 0.00 H new ATOM 0 HA SER A 28 -4.969 -30.889 -2.754 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.119 -30.301 -4.914 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.107 -31.729 -5.012 1.00 0.00 H new ATOM 0 HG SER A 28 -5.778 -32.384 -4.780 1.00 0.00 H new ATOM 411 N GLU A 29 -4.056 -33.878 -2.391 1.00 0.00 N ATOM 412 CA GLU A 29 -4.553 -35.255 -2.109 1.00 0.00 C ATOM 413 C GLU A 29 -5.499 -35.240 -0.904 1.00 0.00 C ATOM 414 O GLU A 29 -6.339 -36.104 -0.751 1.00 0.00 O ATOM 415 CB GLU A 29 -3.299 -36.072 -1.797 1.00 0.00 C ATOM 416 CG GLU A 29 -3.405 -37.445 -2.465 1.00 0.00 C ATOM 417 CD GLU A 29 -2.397 -37.533 -3.612 1.00 0.00 C ATOM 418 OE1 GLU A 29 -1.225 -37.297 -3.365 1.00 0.00 O ATOM 419 OE2 GLU A 29 -2.813 -37.837 -4.718 1.00 0.00 O ATOM 0 H GLU A 29 -3.086 -33.705 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.113 -35.672 -2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.413 -35.549 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.186 -36.188 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.212 -38.232 -1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.416 -37.601 -2.842 1.00 0.00 H new ATOM 426 N CYS A 30 -5.366 -34.264 -0.047 1.00 0.00 N ATOM 427 CA CYS A 30 -6.255 -34.192 1.148 1.00 0.00 C ATOM 428 C CYS A 30 -7.671 -33.779 0.735 1.00 0.00 C ATOM 429 O CYS A 30 -7.860 -33.016 -0.190 1.00 0.00 O ATOM 430 CB CYS A 30 -5.625 -33.123 2.041 1.00 0.00 C ATOM 431 SG CYS A 30 -4.766 -33.917 3.422 1.00 0.00 S ATOM 0 H CYS A 30 -4.680 -33.513 -0.123 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.342 -35.152 1.656 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.926 -32.518 1.464 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.395 -32.449 2.417 1.00 0.00 H new ATOM 436 N SER A 31 -8.666 -34.278 1.418 1.00 0.00 N ATOM 437 CA SER A 31 -10.072 -33.914 1.070 1.00 0.00 C ATOM 438 C SER A 31 -10.313 -32.418 1.293 1.00 0.00 C ATOM 439 O SER A 31 -11.352 -31.890 0.948 1.00 0.00 O ATOM 440 CB SER A 31 -10.942 -34.746 2.010 1.00 0.00 C ATOM 441 OG SER A 31 -10.824 -36.121 1.673 1.00 0.00 O ATOM 0 H SER A 31 -8.567 -34.922 2.202 1.00 0.00 H new ATOM 0 HA SER A 31 -10.298 -34.112 0.022 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.635 -34.586 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.983 -34.430 1.934 1.00 0.00 H new ATOM 0 HG SER A 31 -11.381 -36.655 2.277 1.00 0.00 H new ATOM 447 N LYS A 32 -9.366 -31.733 1.869 1.00 0.00 N ATOM 448 CA LYS A 32 -9.544 -30.273 2.116 1.00 0.00 C ATOM 449 C LYS A 32 -8.195 -29.554 2.021 1.00 0.00 C ATOM 450 O LYS A 32 -7.254 -29.910 2.701 1.00 0.00 O ATOM 451 CB LYS A 32 -10.095 -30.178 3.540 1.00 0.00 C ATOM 452 CG LYS A 32 -11.592 -29.867 3.490 1.00 0.00 C ATOM 453 CD LYS A 32 -11.891 -28.658 4.378 1.00 0.00 C ATOM 454 CE LYS A 32 -13.401 -28.536 4.582 1.00 0.00 C ATOM 455 NZ LYS A 32 -13.818 -29.854 5.141 1.00 0.00 N ATOM 0 H LYS A 32 -8.475 -32.120 2.180 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.208 -29.809 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.925 -31.115 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.570 -29.399 4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.898 -29.663 2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.165 -30.730 3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.391 -28.768 5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.501 -27.750 3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.643 -27.722 5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.911 -28.326 3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.655 -29.726 5.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.049 -30.504 4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.041 -30.253 5.706 1.00 0.00 H new ATOM 469 N PRO A 33 -8.147 -28.560 1.175 1.00 0.00 N ATOM 470 CA PRO A 33 -6.900 -27.782 0.989 1.00 0.00 C ATOM 471 C PRO A 33 -6.670 -26.849 2.178 1.00 0.00 C ATOM 472 O PRO A 33 -7.428 -26.834 3.126 1.00 0.00 O ATOM 473 CB PRO A 33 -7.160 -26.980 -0.280 1.00 0.00 C ATOM 474 CG PRO A 33 -8.650 -26.867 -0.372 1.00 0.00 C ATOM 475 CD PRO A 33 -9.237 -28.071 0.321 1.00 0.00 C ATOM 0 HA PRO A 33 -6.013 -28.411 0.917 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.693 -25.997 -0.228 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.748 -27.482 -1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.995 -25.947 0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.969 -26.830 -1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.115 -27.804 0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.552 -28.829 -0.396 1.00 0.00 H new ATOM 483 N GLY A 34 -5.627 -26.070 2.130 1.00 0.00 N ATOM 484 CA GLY A 34 -5.345 -25.135 3.251 1.00 0.00 C ATOM 485 C GLY A 34 -3.870 -24.741 3.221 1.00 0.00 C ATOM 486 O GLY A 34 -3.048 -25.430 2.663 1.00 0.00 O ATOM 0 H GLY A 34 -4.957 -26.041 1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.972 -24.248 3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.588 -25.607 4.203 1.00 0.00 H new ATOM 490 N VAL A 35 -3.529 -23.635 3.815 1.00 0.00 N ATOM 491 CA VAL A 35 -2.102 -23.199 3.820 1.00 0.00 C ATOM 492 C VAL A 35 -1.650 -22.956 5.260 1.00 0.00 C ATOM 493 O VAL A 35 -2.305 -22.268 6.014 1.00 0.00 O ATOM 494 CB VAL A 35 -2.074 -21.899 2.997 1.00 0.00 C ATOM 495 CG1 VAL A 35 -3.361 -21.102 3.225 1.00 0.00 C ATOM 496 CG2 VAL A 35 -0.873 -21.040 3.406 1.00 0.00 C ATOM 0 H VAL A 35 -4.175 -23.011 4.299 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.429 -23.945 3.397 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.991 -22.161 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.330 -20.184 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.219 -21.700 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.452 -20.853 4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.864 -20.123 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.948 -20.791 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.048 -21.595 3.228 1.00 0.00 H new ATOM 506 N ILE A 36 -0.539 -23.513 5.654 1.00 0.00 N ATOM 507 CA ILE A 36 -0.071 -23.301 7.049 1.00 0.00 C ATOM 508 C ILE A 36 1.232 -22.503 7.056 1.00 0.00 C ATOM 509 O ILE A 36 2.155 -22.793 6.322 1.00 0.00 O ATOM 510 CB ILE A 36 0.147 -24.707 7.618 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.199 -25.299 8.043 1.00 0.00 C ATOM 512 CG2 ILE A 36 1.073 -24.637 8.837 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.966 -26.632 8.756 1.00 0.00 C ATOM 0 H ILE A 36 0.060 -24.101 5.075 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.788 -22.734 7.642 1.00 0.00 H new ATOM 0 HB ILE A 36 0.602 -25.336 6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.721 -24.607 8.704 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.835 -25.447 7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.224 -25.640 9.237 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.034 -24.216 8.540 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.621 -24.006 9.602 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.924 -27.055 9.059 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.462 -27.323 8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.346 -26.470 9.637 1.00 0.00 H new ATOM 525 N PHE A 37 1.317 -21.508 7.891 1.00 0.00 N ATOM 526 CA PHE A 37 2.566 -20.703 7.956 1.00 0.00 C ATOM 527 C PHE A 37 3.472 -21.261 9.055 1.00 0.00 C ATOM 528 O PHE A 37 3.018 -21.602 10.127 1.00 0.00 O ATOM 529 CB PHE A 37 2.117 -19.281 8.303 1.00 0.00 C ATOM 530 CG PHE A 37 1.253 -18.728 7.194 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.056 -19.197 7.027 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.756 -17.741 6.335 1.00 0.00 C ATOM 533 CE1 PHE A 37 -0.860 -18.684 6.004 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.950 -17.228 5.310 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.357 -17.699 5.145 1.00 0.00 C ATOM 0 H PHE A 37 0.577 -21.217 8.530 1.00 0.00 H new ATOM 0 HA PHE A 37 3.127 -20.727 7.022 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.561 -19.285 9.241 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.987 -18.642 8.451 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.445 -19.956 7.689 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.764 -17.376 6.463 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.869 -19.048 5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.338 -16.469 4.647 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.978 -17.303 4.355 1.00 0.00 H new ATOM 545 N LEU A 38 4.746 -21.353 8.803 1.00 0.00 N ATOM 546 CA LEU A 38 5.664 -21.884 9.844 1.00 0.00 C ATOM 547 C LEU A 38 6.303 -20.717 10.588 1.00 0.00 C ATOM 548 O LEU A 38 6.907 -19.848 9.993 1.00 0.00 O ATOM 549 CB LEU A 38 6.718 -22.687 9.081 1.00 0.00 C ATOM 550 CG LEU A 38 6.500 -24.180 9.334 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.804 -24.497 10.799 1.00 0.00 C ATOM 552 CD2 LEU A 38 5.046 -24.542 9.025 1.00 0.00 C ATOM 0 H LEU A 38 5.190 -21.085 7.925 1.00 0.00 H new ATOM 0 HA LEU A 38 5.155 -22.504 10.582 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.651 -22.474 8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.717 -22.394 9.403 1.00 0.00 H new ATOM 0 HG LEU A 38 7.163 -24.759 8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.649 -25.560 10.981 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.839 -24.238 11.020 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.140 -23.919 11.442 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.890 -25.606 9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.383 -23.964 9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.828 -24.315 7.981 1.00 0.00 H new ATOM 564 N THR A 39 6.160 -20.682 11.883 1.00 0.00 N ATOM 565 CA THR A 39 6.742 -19.555 12.662 1.00 0.00 C ATOM 566 C THR A 39 8.166 -19.894 13.092 1.00 0.00 C ATOM 567 O THR A 39 8.480 -21.025 13.407 1.00 0.00 O ATOM 568 CB THR A 39 5.841 -19.398 13.893 1.00 0.00 C ATOM 569 OG1 THR A 39 6.241 -20.330 14.888 1.00 0.00 O ATOM 570 CG2 THR A 39 4.379 -19.650 13.514 1.00 0.00 C ATOM 0 H THR A 39 5.666 -21.384 12.435 1.00 0.00 H new ATOM 0 HA THR A 39 6.789 -18.638 12.075 1.00 0.00 H new ATOM 0 HB THR A 39 5.935 -18.383 14.278 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.795 -19.877 15.557 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.749 -19.536 14.396 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.071 -18.932 12.753 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.274 -20.662 13.122 1.00 0.00 H new ATOM 578 N LYS A 40 9.030 -18.921 13.108 1.00 0.00 N ATOM 579 CA LYS A 40 10.438 -19.182 13.521 1.00 0.00 C ATOM 580 C LYS A 40 10.483 -19.597 14.995 1.00 0.00 C ATOM 581 O LYS A 40 11.356 -20.327 15.419 1.00 0.00 O ATOM 582 CB LYS A 40 11.165 -17.854 13.312 1.00 0.00 C ATOM 583 CG LYS A 40 12.373 -18.071 12.397 1.00 0.00 C ATOM 584 CD LYS A 40 13.190 -19.261 12.904 1.00 0.00 C ATOM 585 CE LYS A 40 14.671 -18.881 12.944 1.00 0.00 C ATOM 586 NZ LYS A 40 15.262 -19.765 13.987 1.00 0.00 N ATOM 0 H LYS A 40 8.824 -17.955 12.853 1.00 0.00 H new ATOM 0 HA LYS A 40 10.897 -19.989 12.949 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.488 -17.122 12.871 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.490 -17.450 14.271 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.040 -18.254 11.375 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.992 -17.174 12.375 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.851 -19.552 13.898 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.042 -20.122 12.252 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.146 -19.039 11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.803 -17.829 13.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.279 -19.566 14.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.794 -19.588 14.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.127 -20.760 13.716 1.00 0.00 H new ATOM 600 N LYS A 41 9.546 -19.135 15.779 1.00 0.00 N ATOM 601 CA LYS A 41 9.532 -19.500 17.225 1.00 0.00 C ATOM 602 C LYS A 41 9.156 -20.975 17.401 1.00 0.00 C ATOM 603 O LYS A 41 9.171 -21.504 18.495 1.00 0.00 O ATOM 604 CB LYS A 41 8.469 -18.598 17.851 1.00 0.00 C ATOM 605 CG LYS A 41 8.530 -18.716 19.374 1.00 0.00 C ATOM 606 CD LYS A 41 8.195 -17.363 20.006 1.00 0.00 C ATOM 607 CE LYS A 41 6.696 -17.299 20.308 1.00 0.00 C ATOM 608 NZ LYS A 41 6.157 -16.293 19.349 1.00 0.00 N ATOM 0 H LYS A 41 8.789 -18.520 15.480 1.00 0.00 H new ATOM 0 HA LYS A 41 10.508 -19.366 17.691 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.632 -17.563 17.549 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.479 -18.882 17.493 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.827 -19.474 19.719 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.524 -19.038 19.685 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.768 -17.226 20.923 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.476 -16.555 19.331 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.223 -18.271 20.169 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.513 -17.000 21.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.132 -16.191 19.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.622 -15.377 19.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.341 -16.609 18.375 1.00 0.00 H new ATOM 622 N GLY A 42 8.821 -21.639 16.332 1.00 0.00 N ATOM 623 CA GLY A 42 8.445 -23.078 16.433 1.00 0.00 C ATOM 624 C GLY A 42 6.928 -23.204 16.600 1.00 0.00 C ATOM 625 O GLY A 42 6.442 -23.677 17.608 1.00 0.00 O ATOM 0 H GLY A 42 8.791 -21.248 15.390 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.768 -23.612 15.539 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.953 -23.538 17.280 1.00 0.00 H new ATOM 629 N ARG A 43 6.176 -22.783 15.619 1.00 0.00 N ATOM 630 CA ARG A 43 4.693 -22.879 15.721 1.00 0.00 C ATOM 631 C ARG A 43 4.081 -23.058 14.328 1.00 0.00 C ATOM 632 O ARG A 43 4.772 -23.017 13.329 1.00 0.00 O ATOM 633 CB ARG A 43 4.259 -21.547 16.331 1.00 0.00 C ATOM 634 CG ARG A 43 3.468 -21.800 17.616 1.00 0.00 C ATOM 635 CD ARG A 43 2.275 -22.707 17.316 1.00 0.00 C ATOM 636 NE ARG A 43 1.653 -22.971 18.644 1.00 0.00 N ATOM 637 CZ ARG A 43 0.715 -23.871 18.757 1.00 0.00 C ATOM 638 NH1 ARG A 43 0.758 -24.954 18.030 1.00 0.00 N ATOM 639 NH2 ARG A 43 -0.266 -23.690 19.599 1.00 0.00 N ATOM 0 H ARG A 43 6.526 -22.377 14.751 1.00 0.00 H new ATOM 0 HA ARG A 43 4.369 -23.729 16.321 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.133 -20.933 16.546 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.647 -20.993 15.619 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.110 -22.264 18.365 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.122 -20.854 18.034 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.571 -22.223 16.639 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.593 -23.633 16.837 1.00 0.00 H new ATOM 0 HE ARG A 43 1.960 -22.448 19.464 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.525 -25.097 17.373 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.025 -25.657 18.119 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.300 -22.845 20.169 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.999 -24.394 19.687 1.00 0.00 H new ATOM 653 N GLN A 44 2.792 -23.256 14.248 1.00 0.00 N ATOM 654 CA GLN A 44 2.148 -23.435 12.916 1.00 0.00 C ATOM 655 C GLN A 44 0.734 -22.845 12.916 1.00 0.00 C ATOM 656 O GLN A 44 -0.044 -23.067 13.823 1.00 0.00 O ATOM 657 CB GLN A 44 2.089 -24.946 12.708 1.00 0.00 C ATOM 658 CG GLN A 44 1.501 -25.610 13.956 1.00 0.00 C ATOM 659 CD GLN A 44 1.602 -27.131 13.822 1.00 0.00 C ATOM 660 OE1 GLN A 44 0.617 -27.831 13.957 1.00 0.00 O ATOM 661 NE2 GLN A 44 2.758 -27.677 13.559 1.00 0.00 N ATOM 0 H GLN A 44 2.159 -23.301 15.046 1.00 0.00 H new ATOM 0 HA GLN A 44 2.701 -22.929 12.125 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.478 -25.180 11.836 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.088 -25.336 12.512 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.037 -25.276 14.845 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.460 -25.314 14.082 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.585 -27.091 13.446 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.834 -28.690 13.467 1.00 0.00 H new ATOM 670 N VAL A 45 0.395 -22.105 11.897 1.00 0.00 N ATOM 671 CA VAL A 45 -0.971 -21.510 11.820 1.00 0.00 C ATOM 672 C VAL A 45 -1.732 -22.133 10.648 1.00 0.00 C ATOM 673 O VAL A 45 -1.169 -22.388 9.605 1.00 0.00 O ATOM 674 CB VAL A 45 -0.741 -20.013 11.586 1.00 0.00 C ATOM 675 CG1 VAL A 45 -1.994 -19.382 10.969 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.437 -19.335 12.923 1.00 0.00 C ATOM 0 H VAL A 45 1.007 -21.885 11.111 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.561 -21.687 12.720 1.00 0.00 H new ATOM 0 HB VAL A 45 0.099 -19.880 10.904 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.823 -18.318 10.806 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.213 -19.865 10.017 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.839 -19.514 11.645 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.273 -18.270 12.762 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.279 -19.474 13.601 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.458 -19.778 13.360 1.00 0.00 H new ATOM 686 N CYS A 46 -3.004 -22.380 10.807 1.00 0.00 N ATOM 687 CA CYS A 46 -3.783 -22.987 9.689 1.00 0.00 C ATOM 688 C CYS A 46 -4.764 -21.965 9.113 1.00 0.00 C ATOM 689 O CYS A 46 -5.662 -21.511 9.787 1.00 0.00 O ATOM 690 CB CYS A 46 -4.531 -24.166 10.314 1.00 0.00 C ATOM 691 SG CYS A 46 -3.736 -25.712 9.807 1.00 0.00 S ATOM 0 H CYS A 46 -3.535 -22.189 11.657 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.143 -23.307 8.867 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.526 -24.080 11.401 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.574 -24.159 9.998 1.00 0.00 H new ATOM 696 N ALA A 47 -4.598 -21.599 7.872 1.00 0.00 N ATOM 697 CA ALA A 47 -5.522 -20.601 7.261 1.00 0.00 C ATOM 698 C ALA A 47 -6.196 -21.179 6.015 1.00 0.00 C ATOM 699 O ALA A 47 -5.679 -22.067 5.368 1.00 0.00 O ATOM 700 CB ALA A 47 -4.635 -19.419 6.876 1.00 0.00 C ATOM 0 H ALA A 47 -3.864 -21.947 7.255 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.318 -20.315 7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.245 -18.640 6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.150 -19.023 7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.876 -19.749 6.167 1.00 0.00 H new ATOM 706 N LYS A 48 -7.350 -20.674 5.680 1.00 0.00 N ATOM 707 CA LYS A 48 -8.071 -21.178 4.477 1.00 0.00 C ATOM 708 C LYS A 48 -7.190 -21.041 3.232 1.00 0.00 C ATOM 709 O LYS A 48 -6.158 -20.400 3.271 1.00 0.00 O ATOM 710 CB LYS A 48 -9.306 -20.282 4.358 1.00 0.00 C ATOM 711 CG LYS A 48 -10.570 -21.136 4.451 1.00 0.00 C ATOM 712 CD LYS A 48 -11.644 -20.556 3.528 1.00 0.00 C ATOM 713 CE LYS A 48 -13.024 -20.776 4.151 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.284 -22.235 3.996 1.00 0.00 N ATOM 0 H LYS A 48 -7.827 -19.931 6.190 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.333 -22.232 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.302 -19.533 5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.287 -19.744 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.349 -22.165 4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.932 -21.159 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.469 -19.491 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.594 -21.034 2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.036 -20.482 5.200 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.786 -20.183 3.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.244 -22.379 3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.592 -22.643 3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.198 -22.703 4.921 1.00 0.00 H new ATOM 728 N PRO A 49 -7.634 -21.647 2.166 1.00 0.00 N ATOM 729 CA PRO A 49 -6.881 -21.591 0.890 1.00 0.00 C ATOM 730 C PRO A 49 -6.972 -20.186 0.288 1.00 0.00 C ATOM 731 O PRO A 49 -6.042 -19.698 -0.322 1.00 0.00 O ATOM 732 CB PRO A 49 -7.592 -22.612 0.007 1.00 0.00 C ATOM 733 CG PRO A 49 -8.976 -22.704 0.567 1.00 0.00 C ATOM 734 CD PRO A 49 -8.868 -22.434 2.046 1.00 0.00 C ATOM 0 HA PRO A 49 -5.819 -21.807 1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.607 -22.291 -1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.089 -23.578 0.036 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.635 -21.979 0.089 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.402 -23.691 0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.732 -21.883 2.417 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.810 -23.359 2.619 1.00 0.00 H new ATOM 742 N SER A 50 -8.088 -19.532 0.461 1.00 0.00 N ATOM 743 CA SER A 50 -8.244 -18.158 -0.094 1.00 0.00 C ATOM 744 C SER A 50 -8.549 -17.167 1.034 1.00 0.00 C ATOM 745 O SER A 50 -9.085 -16.100 0.808 1.00 0.00 O ATOM 746 CB SER A 50 -9.423 -18.252 -1.062 1.00 0.00 C ATOM 747 OG SER A 50 -9.009 -18.907 -2.251 1.00 0.00 O ATOM 0 H SER A 50 -8.900 -19.891 0.964 1.00 0.00 H new ATOM 0 HA SER A 50 -7.340 -17.806 -0.590 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.244 -18.800 -0.600 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.796 -17.255 -1.295 1.00 0.00 H new ATOM 0 HG SER A 50 -9.766 -18.969 -2.871 1.00 0.00 H new ATOM 753 N GLY A 51 -8.212 -17.513 2.247 1.00 0.00 N ATOM 754 CA GLY A 51 -8.483 -16.592 3.388 1.00 0.00 C ATOM 755 C GLY A 51 -8.049 -15.174 3.013 1.00 0.00 C ATOM 756 O GLY A 51 -7.056 -14.985 2.338 1.00 0.00 O ATOM 0 H GLY A 51 -7.761 -18.393 2.497 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.544 -16.605 3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.944 -16.926 4.275 1.00 0.00 H new ATOM 760 N PRO A 52 -8.814 -14.220 3.468 1.00 0.00 N ATOM 761 CA PRO A 52 -8.514 -12.796 3.178 1.00 0.00 C ATOM 762 C PRO A 52 -7.245 -12.355 3.910 1.00 0.00 C ATOM 763 O PRO A 52 -7.269 -12.051 5.087 1.00 0.00 O ATOM 764 CB PRO A 52 -9.741 -12.056 3.705 1.00 0.00 C ATOM 765 CG PRO A 52 -10.316 -12.966 4.743 1.00 0.00 C ATOM 766 CD PRO A 52 -10.019 -14.372 4.293 1.00 0.00 C ATOM 0 HA PRO A 52 -8.331 -12.602 2.121 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.468 -11.091 4.132 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.458 -11.861 2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.873 -12.770 5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.390 -12.810 4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.845 -15.036 5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.846 -14.794 3.722 1.00 0.00 H new ATOM 774 N GLY A 53 -6.139 -12.316 3.222 1.00 0.00 N ATOM 775 CA GLY A 53 -4.868 -11.894 3.876 1.00 0.00 C ATOM 776 C GLY A 53 -3.883 -13.064 3.889 1.00 0.00 C ATOM 777 O GLY A 53 -2.685 -12.874 3.933 1.00 0.00 O ATOM 0 H GLY A 53 -6.059 -12.558 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.436 -11.048 3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.065 -11.560 4.895 1.00 0.00 H new ATOM 781 N VAL A 54 -4.374 -14.273 3.856 1.00 0.00 N ATOM 782 CA VAL A 54 -3.458 -15.451 3.868 1.00 0.00 C ATOM 783 C VAL A 54 -2.587 -15.460 2.613 1.00 0.00 C ATOM 784 O VAL A 54 -1.394 -15.684 2.676 1.00 0.00 O ATOM 785 CB VAL A 54 -4.376 -16.673 3.894 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.537 -17.948 3.783 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.163 -16.692 5.206 1.00 0.00 C ATOM 0 H VAL A 54 -5.369 -14.497 3.821 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.781 -15.434 4.722 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.069 -16.623 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.193 -18.818 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.978 -17.935 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.842 -18.000 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.818 -17.563 5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.470 -16.741 6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.763 -15.785 5.283 1.00 0.00 H new ATOM 797 N GLN A 55 -3.169 -15.216 1.473 1.00 0.00 N ATOM 798 CA GLN A 55 -2.360 -15.210 0.223 1.00 0.00 C ATOM 799 C GLN A 55 -1.413 -14.017 0.248 1.00 0.00 C ATOM 800 O GLN A 55 -0.264 -14.116 -0.135 1.00 0.00 O ATOM 801 CB GLN A 55 -3.373 -15.081 -0.915 1.00 0.00 C ATOM 802 CG GLN A 55 -2.673 -15.322 -2.253 1.00 0.00 C ATOM 803 CD GLN A 55 -3.281 -16.550 -2.933 1.00 0.00 C ATOM 804 OE1 GLN A 55 -3.995 -16.428 -3.909 1.00 0.00 O ATOM 805 NE2 GLN A 55 -3.028 -17.738 -2.455 1.00 0.00 N ATOM 0 H GLN A 55 -4.163 -15.022 1.352 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.753 -16.108 0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.180 -15.801 -0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.825 -14.089 -0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.781 -14.447 -2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.605 -15.472 -2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.429 -17.841 -1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.429 -18.563 -2.901 1.00 0.00 H new ATOM 814 N ASP A 56 -1.874 -12.896 0.722 1.00 0.00 N ATOM 815 CA ASP A 56 -0.981 -11.715 0.799 1.00 0.00 C ATOM 816 C ASP A 56 0.134 -12.019 1.797 1.00 0.00 C ATOM 817 O ASP A 56 1.220 -11.481 1.719 1.00 0.00 O ATOM 818 CB ASP A 56 -1.862 -10.568 1.295 1.00 0.00 C ATOM 819 CG ASP A 56 -1.197 -9.231 0.962 1.00 0.00 C ATOM 820 OD1 ASP A 56 0.023 -9.193 0.918 1.00 0.00 O ATOM 821 OD2 ASP A 56 -1.916 -8.268 0.757 1.00 0.00 O ATOM 0 H ASP A 56 -2.826 -12.749 1.057 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.519 -11.462 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.845 -10.623 0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.015 -10.652 2.371 1.00 0.00 H new ATOM 826 N CYS A 57 -0.127 -12.901 2.728 1.00 0.00 N ATOM 827 CA CYS A 57 0.919 -13.264 3.721 1.00 0.00 C ATOM 828 C CYS A 57 2.057 -14.000 3.011 1.00 0.00 C ATOM 829 O CYS A 57 3.214 -13.646 3.136 1.00 0.00 O ATOM 830 CB CYS A 57 0.217 -14.182 4.720 1.00 0.00 C ATOM 831 SG CYS A 57 1.245 -14.363 6.189 1.00 0.00 S ATOM 0 H CYS A 57 -1.019 -13.383 2.840 1.00 0.00 H new ATOM 0 HA CYS A 57 1.353 -12.396 4.216 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.754 -13.768 4.991 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.033 -15.157 4.268 1.00 0.00 H new ATOM 836 N MET A 58 1.737 -15.019 2.258 1.00 0.00 N ATOM 837 CA MET A 58 2.805 -15.766 1.536 1.00 0.00 C ATOM 838 C MET A 58 3.418 -14.884 0.451 1.00 0.00 C ATOM 839 O MET A 58 4.550 -15.070 0.052 1.00 0.00 O ATOM 840 CB MET A 58 2.111 -16.969 0.906 1.00 0.00 C ATOM 841 CG MET A 58 1.229 -17.662 1.945 1.00 0.00 C ATOM 842 SD MET A 58 0.804 -19.321 1.361 1.00 0.00 S ATOM 843 CE MET A 58 -0.150 -18.817 -0.091 1.00 0.00 C ATOM 0 H MET A 58 0.788 -15.364 2.113 1.00 0.00 H new ATOM 0 HA MET A 58 3.611 -16.070 2.204 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.506 -16.648 0.058 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.853 -17.668 0.521 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.752 -17.723 2.899 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.323 -17.081 2.115 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.061 -19.412 -0.152 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.411 -17.762 -0.007 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.446 -18.973 -0.990 1.00 0.00 H new ATOM 853 N LYS A 59 2.681 -13.921 -0.031 1.00 0.00 N ATOM 854 CA LYS A 59 3.230 -13.028 -1.087 1.00 0.00 C ATOM 855 C LYS A 59 4.393 -12.224 -0.510 1.00 0.00 C ATOM 856 O LYS A 59 5.447 -12.118 -1.104 1.00 0.00 O ATOM 857 CB LYS A 59 2.073 -12.104 -1.467 1.00 0.00 C ATOM 858 CG LYS A 59 1.918 -12.077 -2.988 1.00 0.00 C ATOM 859 CD LYS A 59 2.954 -11.125 -3.590 1.00 0.00 C ATOM 860 CE LYS A 59 2.489 -10.676 -4.976 1.00 0.00 C ATOM 861 NZ LYS A 59 3.684 -10.024 -5.584 1.00 0.00 N ATOM 0 H LYS A 59 1.725 -13.715 0.260 1.00 0.00 H new ATOM 0 HA LYS A 59 3.605 -13.575 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.150 -12.451 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.260 -11.098 -1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.050 -13.079 -3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.912 -11.754 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.088 -10.259 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.921 -11.622 -3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.153 -11.523 -5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.651 -9.982 -4.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.447 -9.687 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.977 -9.218 -4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.462 -10.711 -5.642 1.00 0.00 H new ATOM 875 N LYS A 60 4.210 -11.669 0.654 1.00 0.00 N ATOM 876 CA LYS A 60 5.302 -10.881 1.286 1.00 0.00 C ATOM 877 C LYS A 60 6.441 -11.812 1.714 1.00 0.00 C ATOM 878 O LYS A 60 7.585 -11.411 1.791 1.00 0.00 O ATOM 879 CB LYS A 60 4.659 -10.224 2.506 1.00 0.00 C ATOM 880 CG LYS A 60 4.960 -8.723 2.499 1.00 0.00 C ATOM 881 CD LYS A 60 6.474 -8.508 2.473 1.00 0.00 C ATOM 882 CE LYS A 60 6.776 -7.009 2.539 1.00 0.00 C ATOM 883 NZ LYS A 60 7.249 -6.776 3.933 1.00 0.00 N ATOM 0 H LYS A 60 3.348 -11.727 1.197 1.00 0.00 H new ATOM 0 HA LYS A 60 5.730 -10.145 0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.582 -10.389 2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.042 -10.678 3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.500 -8.253 1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.530 -8.251 3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.940 -9.021 3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.898 -8.936 1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.536 -6.726 1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.888 -6.417 2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.477 -5.769 4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.502 -7.048 4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.099 -7.348 4.111 1.00 0.00 H new ATOM 897 N LEU A 61 6.138 -13.052 2.002 1.00 0.00 N ATOM 898 CA LEU A 61 7.212 -13.996 2.433 1.00 0.00 C ATOM 899 C LEU A 61 8.058 -14.439 1.235 1.00 0.00 C ATOM 900 O LEU A 61 8.954 -15.249 1.366 1.00 0.00 O ATOM 901 CB LEU A 61 6.474 -15.188 3.043 1.00 0.00 C ATOM 902 CG LEU A 61 6.964 -15.414 4.476 1.00 0.00 C ATOM 903 CD1 LEU A 61 6.916 -14.094 5.248 1.00 0.00 C ATOM 904 CD2 LEU A 61 6.064 -16.440 5.169 1.00 0.00 C ATOM 0 H LEU A 61 5.200 -13.449 1.958 1.00 0.00 H new ATOM 0 HA LEU A 61 7.899 -13.534 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.400 -15.004 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.647 -16.082 2.443 1.00 0.00 H new ATOM 0 HG LEU A 61 7.989 -15.785 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.265 -14.256 6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.557 -13.362 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.892 -13.722 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.413 -16.600 6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.039 -16.069 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.098 -17.382 4.622 1.00 0.00 H new