USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 417 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 11 LYS NZ :NH3+ -125:sc= 0.0503 (180deg=0) USER MOD Single : A 16 CYS SG : rot 80:sc= -4.82! USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -3.02! C(o=-3!,f=-10!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.246 USER MOD Single : A 35 HIS : no HD1:sc= -0.033 X(o=-0.033,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.822 K(o=-0.82,f=-2.2!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -37:sc= 0.158 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 -4.730 16.586 -1.074 1.00 0.00 N ATOM 89 CA VAL A 9 -4.975 16.720 -2.504 1.00 0.00 C ATOM 90 C VAL A 9 -5.463 15.407 -3.104 1.00 0.00 C ATOM 91 O VAL A 9 -4.903 14.344 -2.837 1.00 0.00 O ATOM 92 CB VAL A 9 -3.706 17.173 -3.251 1.00 0.00 C ATOM 93 CG1 VAL A 9 -2.603 16.136 -3.106 1.00 0.00 C ATOM 94 CG2 VAL A 9 -4.015 17.432 -4.718 1.00 0.00 C ATOM 0 HA VAL A 9 -5.748 17.479 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.357 18.105 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.714 16.473 -3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.364 16.004 -2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.939 15.187 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.107 17.751 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.389 16.517 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.771 18.213 -4.798 1.00 0.00 H new ATOM 104 N TRP A 10 -6.510 15.488 -3.917 1.00 0.00 N ATOM 105 CA TRP A 10 -7.075 14.304 -4.556 1.00 0.00 C ATOM 106 C TRP A 10 -6.587 14.178 -5.995 1.00 0.00 C ATOM 107 O TRP A 10 -6.135 15.153 -6.596 1.00 0.00 O ATOM 108 CB TRP A 10 -8.603 14.362 -4.525 1.00 0.00 C ATOM 109 CG TRP A 10 -9.176 14.208 -3.149 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.763 15.180 -2.392 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.213 13.009 -2.366 1.00 0.00 C ATOM 112 NE1 TRP A 10 -10.164 14.659 -1.185 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.839 13.329 -1.145 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.781 11.697 -2.579 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -10.040 12.384 -0.143 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -8.982 10.761 -1.582 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.607 11.107 -0.377 1.00 0.00 C ATOM 0 H TRP A 10 -6.985 16.360 -4.150 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.741 13.427 -4.001 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.932 15.313 -4.943 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -9.002 13.577 -5.167 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.893 16.208 -2.697 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.628 15.178 -0.440 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.299 11.420 -3.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.521 12.649 0.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.651 9.744 -1.735 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.750 10.352 0.382 1.00 0.00 H new ATOM 128 N LYS A 11 -6.683 12.972 -6.544 1.00 0.00 N ATOM 129 CA LYS A 11 -6.253 12.718 -7.914 1.00 0.00 C ATOM 130 C LYS A 11 -7.242 11.808 -8.635 1.00 0.00 C ATOM 131 O LYS A 11 -7.891 10.954 -8.030 1.00 0.00 O ATOM 132 CB LYS A 11 -4.860 12.084 -7.925 1.00 0.00 C ATOM 133 CG LYS A 11 -4.749 10.845 -7.054 1.00 0.00 C ATOM 134 CD LYS A 11 -3.306 10.389 -6.914 1.00 0.00 C ATOM 135 CE LYS A 11 -2.555 11.221 -5.886 1.00 0.00 C ATOM 136 NZ LYS A 11 -2.723 10.682 -4.508 1.00 0.00 N ATOM 0 H LYS A 11 -7.055 12.154 -6.061 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.215 13.673 -8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.597 11.822 -8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.132 12.821 -7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.163 11.054 -6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.345 10.041 -7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.282 9.339 -6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.805 10.463 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.495 11.243 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.913 12.250 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.087 11.430 -3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.395 9.888 -4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.804 10.350 -4.151 1.00 0.00 H new ATOM 150 N PRO A 12 -7.361 11.992 -9.958 1.00 0.00 N ATOM 151 CA PRO A 12 -8.268 11.195 -10.790 1.00 0.00 C ATOM 152 C PRO A 12 -7.803 9.749 -10.933 1.00 0.00 C ATOM 153 O PRO A 12 -6.832 9.466 -11.634 1.00 0.00 O ATOM 154 CB PRO A 12 -8.226 11.907 -12.144 1.00 0.00 C ATOM 155 CG PRO A 12 -6.906 12.598 -12.167 1.00 0.00 C ATOM 156 CD PRO A 12 -6.619 12.991 -10.745 1.00 0.00 C ATOM 0 HA PRO A 12 -9.267 11.131 -10.358 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.316 11.198 -12.967 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.047 12.617 -12.244 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.128 11.940 -12.555 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.935 13.474 -12.815 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.551 12.961 -10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.960 14.004 -10.532 1.00 0.00 H new ATOM 164 N GLY A 13 -8.504 8.838 -10.265 1.00 0.00 N ATOM 165 CA GLY A 13 -8.148 7.433 -10.332 1.00 0.00 C ATOM 166 C GLY A 13 -7.721 6.878 -8.988 1.00 0.00 C ATOM 167 O GLY A 13 -6.915 5.950 -8.919 1.00 0.00 O ATOM 0 H GLY A 13 -9.312 9.048 -9.679 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.000 6.863 -10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.339 7.300 -11.050 1.00 0.00 H new ATOM 171 N ASP A 14 -8.261 7.448 -7.916 1.00 0.00 N ATOM 172 CA ASP A 14 -7.931 7.005 -6.567 1.00 0.00 C ATOM 173 C ASP A 14 -9.194 6.647 -5.788 1.00 0.00 C ATOM 174 O ASP A 14 -10.067 7.489 -5.584 1.00 0.00 O ATOM 175 CB ASP A 14 -7.152 8.093 -5.826 1.00 0.00 C ATOM 176 CG ASP A 14 -5.658 8.003 -6.070 1.00 0.00 C ATOM 177 OD1 ASP A 14 -5.262 7.665 -7.204 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.886 8.270 -5.125 1.00 0.00 O ATOM 0 H ASP A 14 -8.929 8.218 -7.956 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.309 6.113 -6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.511 9.072 -6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.348 8.012 -4.757 1.00 0.00 H new ATOM 183 N GLU A 15 -9.282 5.392 -5.358 1.00 0.00 N ATOM 184 CA GLU A 15 -10.439 4.923 -4.605 1.00 0.00 C ATOM 185 C GLU A 15 -10.600 5.713 -3.309 1.00 0.00 C ATOM 186 O GLU A 15 -9.691 5.757 -2.479 1.00 0.00 O ATOM 187 CB GLU A 15 -10.301 3.432 -4.292 1.00 0.00 C ATOM 188 CG GLU A 15 -9.000 3.073 -3.595 1.00 0.00 C ATOM 189 CD GLU A 15 -8.569 1.644 -3.863 1.00 0.00 C ATOM 190 OE1 GLU A 15 -8.752 1.174 -5.005 1.00 0.00 O ATOM 191 OE2 GLU A 15 -8.049 0.996 -2.930 1.00 0.00 O ATOM 0 H GLU A 15 -8.567 4.683 -5.518 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.327 5.077 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.137 3.123 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.373 2.866 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.215 3.753 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.116 3.218 -2.521 1.00 0.00 H new ATOM 198 N CYS A 16 -11.762 6.335 -3.143 1.00 0.00 N ATOM 199 CA CYS A 16 -12.043 7.125 -1.949 1.00 0.00 C ATOM 200 C CYS A 16 -13.516 7.025 -1.566 1.00 0.00 C ATOM 201 O CYS A 16 -14.350 6.604 -2.368 1.00 0.00 O ATOM 202 CB CYS A 16 -11.661 8.588 -2.179 1.00 0.00 C ATOM 203 SG CYS A 16 -12.384 9.315 -3.668 1.00 0.00 S ATOM 0 H CYS A 16 -12.525 6.308 -3.820 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.445 6.726 -1.129 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -11.972 9.174 -1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.575 8.663 -2.241 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.616 9.654 -3.431 1.00 0.00 H new ATOM 209 N PHE A 17 -13.829 7.414 -0.335 1.00 0.00 N ATOM 210 CA PHE A 17 -15.201 7.366 0.156 1.00 0.00 C ATOM 211 C PHE A 17 -15.885 8.721 -0.007 1.00 0.00 C ATOM 212 O PHE A 17 -15.481 9.709 0.604 1.00 0.00 O ATOM 213 CB PHE A 17 -15.225 6.944 1.627 1.00 0.00 C ATOM 214 CG PHE A 17 -15.334 5.459 1.823 1.00 0.00 C ATOM 215 CD1 PHE A 17 -14.227 4.642 1.656 1.00 0.00 C ATOM 216 CD2 PHE A 17 -16.543 4.880 2.174 1.00 0.00 C ATOM 217 CE1 PHE A 17 -14.325 3.275 1.834 1.00 0.00 C ATOM 218 CE2 PHE A 17 -16.647 3.514 2.355 1.00 0.00 C ATOM 219 CZ PHE A 17 -15.536 2.710 2.186 1.00 0.00 C ATOM 0 H PHE A 17 -13.151 7.766 0.341 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.746 6.630 -0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.318 7.301 2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.065 7.430 2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.277 5.078 1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -17.414 5.504 2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.456 2.649 1.698 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -17.595 3.075 2.628 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.614 1.642 2.329 1.00 0.00 H new ATOM 229 N ALA A 18 -16.923 8.757 -0.836 1.00 0.00 N ATOM 230 CA ALA A 18 -17.664 9.988 -1.079 1.00 0.00 C ATOM 231 C ALA A 18 -19.073 9.905 -0.500 1.00 0.00 C ATOM 232 O ALA A 18 -19.728 8.865 -0.583 1.00 0.00 O ATOM 233 CB ALA A 18 -17.721 10.284 -2.570 1.00 0.00 C ATOM 0 H ALA A 18 -17.270 7.947 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.141 10.802 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.277 11.206 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.708 10.396 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.218 9.462 -3.085 1.00 0.00 H new ATOM 239 N LEU A 19 -19.532 11.004 0.087 1.00 0.00 N ATOM 240 CA LEU A 19 -20.863 11.055 0.681 1.00 0.00 C ATOM 241 C LEU A 19 -21.934 11.201 -0.395 1.00 0.00 C ATOM 242 O LEU A 19 -21.785 11.987 -1.331 1.00 0.00 O ATOM 243 CB LEU A 19 -20.957 12.217 1.672 1.00 0.00 C ATOM 244 CG LEU A 19 -21.907 12.017 2.854 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.297 11.066 3.872 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.241 13.353 3.501 1.00 0.00 C ATOM 0 H LEU A 19 -19.002 11.872 0.165 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.033 10.118 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -19.959 12.416 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.269 13.108 1.128 1.00 0.00 H new ATOM 0 HG LEU A 19 -22.832 11.575 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -21.986 10.935 4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.109 10.101 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.358 11.480 4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -22.918 13.192 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.325 13.823 3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.720 14.003 2.768 1.00 0.00 H new ATOM 258 N TYR A 20 -23.015 10.442 -0.253 1.00 0.00 N ATOM 259 CA TYR A 20 -24.112 10.487 -1.213 1.00 0.00 C ATOM 260 C TYR A 20 -24.891 11.793 -1.090 1.00 0.00 C ATOM 261 O TYR A 20 -24.803 12.487 -0.077 1.00 0.00 O ATOM 262 CB TYR A 20 -25.050 9.298 -1.003 1.00 0.00 C ATOM 263 CG TYR A 20 -25.752 8.849 -2.265 1.00 0.00 C ATOM 264 CD1 TYR A 20 -25.053 8.701 -3.456 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.113 8.572 -2.265 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.690 8.292 -4.612 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.759 8.161 -3.415 1.00 0.00 C ATOM 268 CZ TYR A 20 -27.043 8.023 -4.586 1.00 0.00 C ATOM 269 OH TYR A 20 -27.681 7.614 -5.735 1.00 0.00 O ATOM 0 H TYR A 20 -23.155 9.788 0.517 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.687 10.433 -2.215 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.479 8.463 -0.598 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.798 9.564 -0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -23.993 8.909 -3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.676 8.680 -1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.132 8.184 -5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.818 7.949 -3.397 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.631 7.465 -5.546 1.00 0.00 H new ATOM 279 N TRP A 21 -25.654 12.118 -2.127 1.00 0.00 N ATOM 280 CA TRP A 21 -26.450 13.340 -2.135 1.00 0.00 C ATOM 281 C TRP A 21 -27.911 13.040 -1.820 1.00 0.00 C ATOM 282 O TRP A 21 -28.749 13.942 -1.800 1.00 0.00 O ATOM 283 CB TRP A 21 -26.341 14.035 -3.494 1.00 0.00 C ATOM 284 CG TRP A 21 -26.947 13.246 -4.615 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.310 12.348 -5.423 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.310 13.286 -5.052 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.195 11.827 -6.336 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.428 12.385 -6.129 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.442 13.992 -4.638 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.633 12.177 -6.795 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.637 13.784 -5.300 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.725 12.882 -6.369 1.00 0.00 C ATOM 0 H TRP A 21 -25.738 11.553 -2.972 1.00 0.00 H new ATOM 0 HA TRP A 21 -26.060 14.003 -1.363 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -26.831 15.007 -3.437 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.290 14.220 -3.716 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.265 12.086 -5.354 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -26.970 11.136 -7.052 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.384 14.688 -3.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.703 11.483 -7.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.518 14.326 -4.988 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.673 12.741 -6.866 1.00 0.00 H new ATOM 303 N GLU A 22 -28.210 11.768 -1.573 1.00 0.00 N ATOM 304 CA GLU A 22 -29.572 11.351 -1.259 1.00 0.00 C ATOM 305 C GLU A 22 -29.634 10.684 0.112 1.00 0.00 C ATOM 306 O GLU A 22 -30.702 10.575 0.713 1.00 0.00 O ATOM 307 CB GLU A 22 -30.094 10.391 -2.330 1.00 0.00 C ATOM 308 CG GLU A 22 -30.802 11.088 -3.479 1.00 0.00 C ATOM 309 CD GLU A 22 -32.238 11.448 -3.148 1.00 0.00 C ATOM 310 OE1 GLU A 22 -33.116 10.570 -3.280 1.00 0.00 O ATOM 311 OE2 GLU A 22 -32.483 12.608 -2.756 1.00 0.00 O ATOM 0 H GLU A 22 -27.528 11.009 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.202 12.240 -1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.259 9.813 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -30.781 9.683 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.256 11.994 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.787 10.441 -4.356 1.00 0.00 H new ATOM 318 N ASP A 23 -28.480 10.240 0.599 1.00 0.00 N ATOM 319 CA ASP A 23 -28.402 9.583 1.900 1.00 0.00 C ATOM 320 C ASP A 23 -27.466 10.341 2.835 1.00 0.00 C ATOM 321 O ASP A 23 -27.656 10.344 4.051 1.00 0.00 O ATOM 322 CB ASP A 23 -27.923 8.140 1.738 1.00 0.00 C ATOM 323 CG ASP A 23 -28.883 7.300 0.919 1.00 0.00 C ATOM 324 OD1 ASP A 23 -30.028 7.092 1.374 1.00 0.00 O ATOM 325 OD2 ASP A 23 -28.491 6.851 -0.178 1.00 0.00 O ATOM 0 H ASP A 23 -27.587 10.323 0.114 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.400 9.579 2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -26.943 8.137 1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -27.799 7.689 2.722 1.00 0.00 H new ATOM 330 N ASN A 24 -26.453 10.982 2.260 1.00 0.00 N ATOM 331 CA ASN A 24 -25.486 11.742 3.042 1.00 0.00 C ATOM 332 C ASN A 24 -24.587 10.811 3.850 1.00 0.00 C ATOM 333 O ASN A 24 -24.066 11.188 4.900 1.00 0.00 O ATOM 334 CB ASN A 24 -26.207 12.713 3.980 1.00 0.00 C ATOM 335 CG ASN A 24 -27.324 13.466 3.284 1.00 0.00 C ATOM 336 OD1 ASN A 24 -27.991 12.931 2.398 1.00 0.00 O ATOM 337 ND2 ASN A 24 -27.533 14.716 3.683 1.00 0.00 N ATOM 0 H ASN A 24 -26.281 10.990 1.255 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.863 12.310 2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -26.617 12.161 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.488 13.426 4.383 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -28.271 15.273 3.251 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -26.956 15.119 4.421 1.00 0.00 H new ATOM 344 N LYS A 25 -24.410 9.591 3.354 1.00 0.00 N ATOM 345 CA LYS A 25 -23.574 8.605 4.026 1.00 0.00 C ATOM 346 C LYS A 25 -22.317 8.312 3.214 1.00 0.00 C ATOM 347 O LYS A 25 -22.294 8.500 1.997 1.00 0.00 O ATOM 348 CB LYS A 25 -24.359 7.311 4.255 1.00 0.00 C ATOM 349 CG LYS A 25 -25.303 7.374 5.443 1.00 0.00 C ATOM 350 CD LYS A 25 -24.565 7.160 6.754 1.00 0.00 C ATOM 351 CE LYS A 25 -25.458 7.450 7.950 1.00 0.00 C ATOM 352 NZ LYS A 25 -24.821 7.038 9.231 1.00 0.00 N ATOM 0 H LYS A 25 -24.835 9.262 2.487 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.275 9.017 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -24.933 7.081 3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.656 6.491 4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -25.804 8.342 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.079 6.616 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -24.206 6.132 6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -23.688 7.806 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -25.685 8.516 7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -26.406 6.926 7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.461 7.252 10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -24.627 6.016 9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.929 7.557 9.358 1.00 0.00 H new ATOM 366 N PHE A 26 -21.272 7.850 3.893 1.00 0.00 N ATOM 367 CA PHE A 26 -20.012 7.530 3.234 1.00 0.00 C ATOM 368 C PHE A 26 -20.107 6.199 2.493 1.00 0.00 C ATOM 369 O PHE A 26 -20.483 5.180 3.073 1.00 0.00 O ATOM 370 CB PHE A 26 -18.875 7.478 4.257 1.00 0.00 C ATOM 371 CG PHE A 26 -18.476 8.828 4.779 1.00 0.00 C ATOM 372 CD1 PHE A 26 -17.850 9.748 3.953 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.726 9.178 6.096 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.480 10.991 4.431 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.359 10.420 6.580 1.00 0.00 C ATOM 376 CZ PHE A 26 -17.737 11.328 5.745 1.00 0.00 C ATOM 0 H PHE A 26 -21.273 7.689 4.900 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.802 8.315 2.508 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.178 6.849 5.094 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.007 7.003 3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.649 9.491 2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.213 8.472 6.752 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -16.990 11.698 3.777 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.558 10.680 7.609 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.452 12.300 6.120 1.00 0.00 H new ATOM 386 N TYR A 27 -19.764 6.217 1.210 1.00 0.00 N ATOM 387 CA TYR A 27 -19.813 5.014 0.389 1.00 0.00 C ATOM 388 C TYR A 27 -18.590 4.922 -0.518 1.00 0.00 C ATOM 389 O TYR A 27 -18.106 5.932 -1.030 1.00 0.00 O ATOM 390 CB TYR A 27 -21.089 4.998 -0.454 1.00 0.00 C ATOM 391 CG TYR A 27 -22.358 5.004 0.368 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.513 4.146 1.449 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.402 5.869 0.063 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.671 4.147 2.202 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.563 5.879 0.812 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.693 5.016 1.880 1.00 0.00 C ATOM 397 OH TYR A 27 -25.848 5.022 2.628 1.00 0.00 O ATOM 0 H TYR A 27 -19.449 7.052 0.716 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.814 4.151 1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -21.089 5.866 -1.114 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -21.083 4.113 -1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.714 3.466 1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.304 6.545 -0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.776 3.471 3.038 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.364 6.559 0.563 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.466 5.693 2.270 1.00 0.00 H new ATOM 407 N ARG A 28 -18.095 3.704 -0.712 1.00 0.00 N ATOM 408 CA ARG A 28 -16.928 3.479 -1.556 1.00 0.00 C ATOM 409 C ARG A 28 -17.071 4.211 -2.888 1.00 0.00 C ATOM 410 O ARG A 28 -18.174 4.347 -3.417 1.00 0.00 O ATOM 411 CB ARG A 28 -16.731 1.983 -1.803 1.00 0.00 C ATOM 412 CG ARG A 28 -15.301 1.606 -2.155 1.00 0.00 C ATOM 413 CD ARG A 28 -14.489 1.280 -0.911 1.00 0.00 C ATOM 414 NE ARG A 28 -14.984 0.087 -0.231 1.00 0.00 N ATOM 415 CZ ARG A 28 -14.286 -0.584 0.678 1.00 0.00 C ATOM 416 NH1 ARG A 28 -13.068 -0.181 1.014 1.00 0.00 N ATOM 417 NH2 ARG A 28 -14.805 -1.661 1.254 1.00 0.00 N ATOM 0 H ARG A 28 -18.484 2.858 -0.296 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.054 3.872 -1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -17.034 1.433 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -17.390 1.667 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.305 0.746 -2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.829 2.427 -2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.445 1.132 -1.188 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.520 2.127 -0.226 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.917 -0.250 -0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.665 0.646 0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.534 -0.698 1.712 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.741 -1.975 0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.267 -2.175 1.952 1.00 0.00 H new ATOM 431 N ALA A 29 -15.948 4.679 -3.423 1.00 0.00 N ATOM 432 CA ALA A 29 -15.949 5.395 -4.693 1.00 0.00 C ATOM 433 C ALA A 29 -14.530 5.572 -5.224 1.00 0.00 C ATOM 434 O ALA A 29 -13.569 5.094 -4.622 1.00 0.00 O ATOM 435 CB ALA A 29 -16.628 6.747 -4.537 1.00 0.00 C ATOM 0 H ALA A 29 -15.027 4.575 -2.997 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.509 4.801 -5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.621 7.270 -5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.658 6.601 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.092 7.340 -3.795 1.00 0.00 H new ATOM 441 N GLU A 30 -14.408 6.260 -6.355 1.00 0.00 N ATOM 442 CA GLU A 30 -13.105 6.498 -6.966 1.00 0.00 C ATOM 443 C GLU A 30 -13.088 7.831 -7.708 1.00 0.00 C ATOM 444 O GLU A 30 -13.861 8.045 -8.643 1.00 0.00 O ATOM 445 CB GLU A 30 -12.754 5.361 -7.929 1.00 0.00 C ATOM 446 CG GLU A 30 -11.377 5.498 -8.555 1.00 0.00 C ATOM 447 CD GLU A 30 -11.115 4.453 -9.622 1.00 0.00 C ATOM 448 OE1 GLU A 30 -11.460 4.703 -10.795 1.00 0.00 O ATOM 449 OE2 GLU A 30 -10.564 3.384 -9.282 1.00 0.00 O ATOM 0 H GLU A 30 -15.194 6.662 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.360 6.535 -6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.808 4.413 -7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.502 5.323 -8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.278 6.491 -8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.618 5.415 -7.777 1.00 0.00 H new ATOM 456 N VAL A 31 -12.201 8.726 -7.285 1.00 0.00 N ATOM 457 CA VAL A 31 -12.081 10.038 -7.908 1.00 0.00 C ATOM 458 C VAL A 31 -12.003 9.920 -9.426 1.00 0.00 C ATOM 459 O VAL A 31 -11.049 9.363 -9.967 1.00 0.00 O ATOM 460 CB VAL A 31 -10.838 10.791 -7.398 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.747 12.167 -8.039 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.867 10.900 -5.881 1.00 0.00 C ATOM 0 H VAL A 31 -11.554 8.566 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.974 10.600 -7.635 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.950 10.226 -7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.863 12.684 -7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.676 12.060 -9.121 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.637 12.744 -7.789 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.981 11.435 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.761 11.442 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.880 9.901 -5.445 1.00 0.00 H new ATOM 472 N GLU A 32 -13.015 10.450 -10.108 1.00 0.00 N ATOM 473 CA GLU A 32 -13.060 10.403 -11.565 1.00 0.00 C ATOM 474 C GLU A 32 -12.290 11.573 -12.171 1.00 0.00 C ATOM 475 O GLU A 32 -11.414 11.383 -13.014 1.00 0.00 O ATOM 476 CB GLU A 32 -14.510 10.425 -12.053 1.00 0.00 C ATOM 477 CG GLU A 32 -14.679 9.935 -13.481 1.00 0.00 C ATOM 478 CD GLU A 32 -14.278 10.976 -14.507 1.00 0.00 C ATOM 479 OE1 GLU A 32 -14.288 12.178 -14.169 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.954 10.589 -15.649 1.00 0.00 O ATOM 0 H GLU A 32 -13.813 10.916 -9.675 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.589 9.474 -11.888 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.117 9.807 -11.391 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.894 11.442 -11.979 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.078 9.037 -13.626 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.719 9.652 -13.643 1.00 0.00 H new ATOM 487 N ALA A 33 -12.625 12.783 -11.736 1.00 0.00 N ATOM 488 CA ALA A 33 -11.965 13.984 -12.233 1.00 0.00 C ATOM 489 C ALA A 33 -12.262 15.184 -11.340 1.00 0.00 C ATOM 490 O ALA A 33 -13.417 15.454 -11.008 1.00 0.00 O ATOM 491 CB ALA A 33 -12.398 14.269 -13.664 1.00 0.00 C ATOM 0 H ALA A 33 -13.350 12.958 -11.040 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.889 13.811 -12.217 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.898 15.168 -14.023 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.129 13.426 -14.300 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.477 14.417 -13.695 1.00 0.00 H new ATOM 497 N LEU A 34 -11.212 15.900 -10.952 1.00 0.00 N ATOM 498 CA LEU A 34 -11.360 17.071 -10.095 1.00 0.00 C ATOM 499 C LEU A 34 -11.676 18.314 -10.922 1.00 0.00 C ATOM 500 O LEU A 34 -11.597 18.292 -12.151 1.00 0.00 O ATOM 501 CB LEU A 34 -10.084 17.297 -9.281 1.00 0.00 C ATOM 502 CG LEU A 34 -9.469 16.053 -8.640 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.984 16.261 -8.389 1.00 0.00 C ATOM 504 CD2 LEU A 34 -10.188 15.710 -7.343 1.00 0.00 C ATOM 0 H LEU A 34 -10.250 15.690 -11.217 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.191 16.889 -9.413 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.338 17.753 -9.932 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.302 18.017 -8.493 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.587 15.217 -9.329 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.563 15.365 -7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.479 16.458 -9.335 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.844 17.110 -7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.737 14.822 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.102 16.545 -6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.241 15.517 -7.550 1.00 0.00 H new ATOM 516 N HIS A 35 -12.031 19.398 -10.239 1.00 0.00 N ATOM 517 CA HIS A 35 -12.355 20.652 -10.911 1.00 0.00 C ATOM 518 C HIS A 35 -11.285 21.705 -10.641 1.00 0.00 C ATOM 519 O HIS A 35 -10.914 21.947 -9.493 1.00 0.00 O ATOM 520 CB HIS A 35 -13.719 21.164 -10.448 1.00 0.00 C ATOM 521 CG HIS A 35 -14.301 22.213 -11.345 1.00 0.00 C ATOM 522 ND1 HIS A 35 -14.857 23.383 -10.873 1.00 0.00 N ATOM 523 CD2 HIS A 35 -14.410 22.263 -12.693 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.284 24.107 -11.892 1.00 0.00 C ATOM 525 NE2 HIS A 35 -15.024 23.450 -13.008 1.00 0.00 N ATOM 0 H HIS A 35 -12.102 19.434 -9.222 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.391 20.463 -11.984 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.412 20.324 -10.387 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.623 21.571 -9.441 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.076 21.510 -13.391 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.764 25.072 -11.824 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.244 23.772 -13.951 1.00 0.00 H new ATOM 534 N SER A 36 -10.792 22.328 -11.707 1.00 0.00 N ATOM 535 CA SER A 36 -9.761 23.352 -11.586 1.00 0.00 C ATOM 536 C SER A 36 -9.954 24.168 -10.312 1.00 0.00 C ATOM 537 O SER A 36 -9.075 24.211 -9.451 1.00 0.00 O ATOM 538 CB SER A 36 -9.785 24.276 -12.805 1.00 0.00 C ATOM 539 OG SER A 36 -8.539 24.930 -12.974 1.00 0.00 O ATOM 0 H SER A 36 -11.090 22.141 -12.664 1.00 0.00 H new ATOM 0 HA SER A 36 -8.793 22.854 -11.535 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.020 23.698 -13.699 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.575 25.017 -12.688 1.00 0.00 H new ATOM 0 HG SER A 36 -8.580 25.513 -13.761 1.00 0.00 H new ATOM 545 N SER A 37 -11.110 24.814 -10.199 1.00 0.00 N ATOM 546 CA SER A 37 -11.417 25.633 -9.032 1.00 0.00 C ATOM 547 C SER A 37 -10.820 25.022 -7.768 1.00 0.00 C ATOM 548 O SER A 37 -10.131 25.698 -7.004 1.00 0.00 O ATOM 549 CB SER A 37 -12.931 25.784 -8.873 1.00 0.00 C ATOM 550 OG SER A 37 -13.259 27.012 -8.247 1.00 0.00 O ATOM 0 H SER A 37 -11.849 24.786 -10.901 1.00 0.00 H new ATOM 0 HA SER A 37 -10.975 26.618 -9.183 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.409 25.732 -9.851 1.00 0.00 H new ATOM 0 HB3 SER A 37 -13.322 24.956 -8.282 1.00 0.00 H new ATOM 0 HG SER A 37 -14.232 27.085 -8.159 1.00 0.00 H new ATOM 556 N GLY A 38 -11.090 23.738 -7.553 1.00 0.00 N ATOM 557 CA GLY A 38 -10.573 23.057 -6.381 1.00 0.00 C ATOM 558 C GLY A 38 -11.596 22.965 -5.266 1.00 0.00 C ATOM 559 O GLY A 38 -11.252 23.075 -4.089 1.00 0.00 O ATOM 0 H GLY A 38 -11.658 23.157 -8.170 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.252 22.053 -6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.691 23.584 -6.018 1.00 0.00 H new ATOM 563 N MET A 39 -12.856 22.763 -5.636 1.00 0.00 N ATOM 564 CA MET A 39 -13.932 22.657 -4.657 1.00 0.00 C ATOM 565 C MET A 39 -14.616 21.297 -4.747 1.00 0.00 C ATOM 566 O MET A 39 -14.583 20.509 -3.801 1.00 0.00 O ATOM 567 CB MET A 39 -14.957 23.772 -4.872 1.00 0.00 C ATOM 568 CG MET A 39 -14.470 25.140 -4.425 1.00 0.00 C ATOM 569 SD MET A 39 -15.550 26.476 -4.972 1.00 0.00 S ATOM 570 CE MET A 39 -16.611 26.661 -3.540 1.00 0.00 C ATOM 0 H MET A 39 -13.157 22.669 -6.606 1.00 0.00 H new ATOM 0 HA MET A 39 -13.497 22.760 -3.663 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.217 23.816 -5.930 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.869 23.525 -4.329 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.399 25.158 -3.337 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.465 25.308 -4.813 1.00 0.00 H new ATOM 0 HE1 MET A 39 -17.336 27.453 -3.724 1.00 0.00 H new ATOM 0 HE2 MET A 39 -17.136 25.724 -3.353 1.00 0.00 H new ATOM 0 HE3 MET A 39 -16.007 26.918 -2.670 1.00 0.00 H new ATOM 580 N THR A 40 -15.238 21.026 -5.891 1.00 0.00 N ATOM 581 CA THR A 40 -15.932 19.762 -6.103 1.00 0.00 C ATOM 582 C THR A 40 -15.161 18.868 -7.068 1.00 0.00 C ATOM 583 O THR A 40 -14.216 19.311 -7.719 1.00 0.00 O ATOM 584 CB THR A 40 -17.353 19.986 -6.653 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.292 20.701 -7.893 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.202 20.761 -5.657 1.00 0.00 C ATOM 0 H THR A 40 -15.275 21.666 -6.685 1.00 0.00 H new ATOM 0 HA THR A 40 -16.000 19.272 -5.132 1.00 0.00 H new ATOM 0 HB THR A 40 -17.813 19.012 -6.818 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.199 20.838 -8.237 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.201 20.907 -6.067 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.271 20.201 -4.724 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.743 21.731 -5.465 1.00 0.00 H new ATOM 594 N ALA A 41 -15.572 17.607 -7.155 1.00 0.00 N ATOM 595 CA ALA A 41 -14.922 16.651 -8.043 1.00 0.00 C ATOM 596 C ALA A 41 -15.850 15.486 -8.370 1.00 0.00 C ATOM 597 O ALA A 41 -16.605 15.022 -7.515 1.00 0.00 O ATOM 598 CB ALA A 41 -13.633 16.141 -7.416 1.00 0.00 C ATOM 0 H ALA A 41 -16.352 17.224 -6.621 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.683 17.163 -8.975 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.158 15.428 -8.090 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.958 16.978 -7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.858 15.651 -6.469 1.00 0.00 H new ATOM 604 N VAL A 42 -15.790 15.018 -9.613 1.00 0.00 N ATOM 605 CA VAL A 42 -16.625 13.907 -10.052 1.00 0.00 C ATOM 606 C VAL A 42 -16.095 12.579 -9.524 1.00 0.00 C ATOM 607 O VAL A 42 -15.008 12.138 -9.899 1.00 0.00 O ATOM 608 CB VAL A 42 -16.707 13.840 -11.589 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.582 12.675 -12.027 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.231 15.153 -12.152 1.00 0.00 C ATOM 0 H VAL A 42 -15.172 15.391 -10.333 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.623 14.082 -9.649 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.704 13.677 -11.983 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.628 12.644 -13.116 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.159 11.742 -11.655 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.587 12.803 -11.625 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.282 15.088 -13.239 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.226 15.349 -11.753 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.560 15.964 -11.868 1.00 0.00 H new ATOM 620 N VAL A 43 -16.871 11.943 -8.651 1.00 0.00 N ATOM 621 CA VAL A 43 -16.480 10.663 -8.072 1.00 0.00 C ATOM 622 C VAL A 43 -17.432 9.553 -8.502 1.00 0.00 C ATOM 623 O VAL A 43 -18.643 9.757 -8.591 1.00 0.00 O ATOM 624 CB VAL A 43 -16.448 10.730 -6.534 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.350 11.672 -6.063 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.802 11.162 -5.991 1.00 0.00 C ATOM 0 H VAL A 43 -17.773 12.293 -8.330 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.478 10.441 -8.439 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.229 9.734 -6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.343 11.706 -4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.385 11.314 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.535 12.672 -6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.761 11.204 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.054 12.148 -6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.563 10.444 -6.298 1.00 0.00 H new ATOM 636 N LYS A 44 -16.877 8.375 -8.767 1.00 0.00 N ATOM 637 CA LYS A 44 -17.676 7.229 -9.185 1.00 0.00 C ATOM 638 C LYS A 44 -17.921 6.280 -8.016 1.00 0.00 C ATOM 639 O LYS A 44 -16.993 5.918 -7.293 1.00 0.00 O ATOM 640 CB LYS A 44 -16.976 6.483 -10.324 1.00 0.00 C ATOM 641 CG LYS A 44 -17.932 5.743 -11.244 1.00 0.00 C ATOM 642 CD LYS A 44 -17.185 4.889 -12.254 1.00 0.00 C ATOM 643 CE LYS A 44 -18.060 3.767 -12.791 1.00 0.00 C ATOM 644 NZ LYS A 44 -17.271 2.772 -13.569 1.00 0.00 N ATOM 0 H LYS A 44 -15.876 8.189 -8.700 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.639 7.598 -9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.397 7.195 -10.912 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.268 5.771 -9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.594 5.112 -10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.562 6.461 -11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.845 5.514 -13.080 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.295 4.466 -11.787 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.558 3.266 -11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.841 4.187 -13.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.903 2.024 -13.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.816 3.244 -14.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.542 2.352 -12.957 1.00 0.00 H new ATOM 658 N PHE A 45 -19.176 5.881 -7.838 1.00 0.00 N ATOM 659 CA PHE A 45 -19.543 4.974 -6.757 1.00 0.00 C ATOM 660 C PHE A 45 -19.442 3.520 -7.209 1.00 0.00 C ATOM 661 O PHE A 45 -19.910 3.159 -8.289 1.00 0.00 O ATOM 662 CB PHE A 45 -20.963 5.272 -6.272 1.00 0.00 C ATOM 663 CG PHE A 45 -21.056 6.489 -5.397 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.453 6.508 -4.149 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.745 7.613 -5.821 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.536 7.626 -3.341 1.00 0.00 C ATOM 667 CE2 PHE A 45 -21.830 8.734 -5.018 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.226 8.741 -3.776 1.00 0.00 C ATOM 0 H PHE A 45 -19.956 6.171 -8.428 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.846 5.129 -5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.613 5.406 -7.137 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -21.339 4.409 -5.722 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -19.912 5.639 -3.804 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -22.221 7.613 -6.790 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.062 7.628 -2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.369 9.605 -5.361 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.293 9.616 -3.146 1.00 0.00 H new ATOM 678 N THR A 46 -18.826 2.688 -6.374 1.00 0.00 N ATOM 679 CA THR A 46 -18.661 1.275 -6.687 1.00 0.00 C ATOM 680 C THR A 46 -19.985 0.528 -6.574 1.00 0.00 C ATOM 681 O THR A 46 -20.253 -0.399 -7.338 1.00 0.00 O ATOM 682 CB THR A 46 -17.628 0.610 -5.757 1.00 0.00 C ATOM 683 OG1 THR A 46 -17.050 -0.530 -6.402 1.00 0.00 O ATOM 684 CG2 THR A 46 -18.275 0.185 -4.448 1.00 0.00 C ATOM 0 H THR A 46 -18.433 2.970 -5.476 1.00 0.00 H new ATOM 0 HA THR A 46 -18.302 1.219 -7.715 1.00 0.00 H new ATOM 0 HB THR A 46 -16.846 1.338 -5.539 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.394 -0.946 -5.805 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.527 -0.282 -3.807 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.688 1.060 -3.946 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.074 -0.528 -4.652 1.00 0.00 H new ATOM 692 N ASP A 47 -20.809 0.938 -5.616 1.00 0.00 N ATOM 693 CA ASP A 47 -22.108 0.309 -5.404 1.00 0.00 C ATOM 694 C ASP A 47 -22.720 -0.134 -6.729 1.00 0.00 C ATOM 695 O ASP A 47 -23.192 -1.264 -6.860 1.00 0.00 O ATOM 696 CB ASP A 47 -23.054 1.273 -4.687 1.00 0.00 C ATOM 697 CG ASP A 47 -22.401 1.949 -3.498 1.00 0.00 C ATOM 698 OD1 ASP A 47 -21.547 2.834 -3.715 1.00 0.00 O ATOM 699 OD2 ASP A 47 -22.743 1.593 -2.351 1.00 0.00 O ATOM 0 H ASP A 47 -20.601 1.703 -4.974 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.960 -0.573 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.396 2.032 -5.390 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.937 0.729 -4.352 1.00 0.00 H new ATOM 704 N TYR A 48 -22.710 0.763 -7.709 1.00 0.00 N ATOM 705 CA TYR A 48 -23.267 0.466 -9.023 1.00 0.00 C ATOM 706 C TYR A 48 -22.325 0.926 -10.131 1.00 0.00 C ATOM 707 O TYR A 48 -22.133 0.229 -11.127 1.00 0.00 O ATOM 708 CB TYR A 48 -24.631 1.140 -9.186 1.00 0.00 C ATOM 709 CG TYR A 48 -25.510 1.032 -7.960 1.00 0.00 C ATOM 710 CD1 TYR A 48 -25.369 1.919 -6.900 1.00 0.00 C ATOM 711 CD2 TYR A 48 -26.482 0.044 -7.863 1.00 0.00 C ATOM 712 CE1 TYR A 48 -26.169 1.823 -5.778 1.00 0.00 C ATOM 713 CE2 TYR A 48 -27.288 -0.058 -6.746 1.00 0.00 C ATOM 714 CZ TYR A 48 -27.128 0.833 -5.706 1.00 0.00 C ATOM 715 OH TYR A 48 -27.928 0.736 -4.591 1.00 0.00 O ATOM 0 H TYR A 48 -22.322 1.702 -7.618 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.391 -0.614 -9.101 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.480 2.193 -9.423 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.149 0.693 -10.035 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -24.621 2.697 -6.954 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -26.610 -0.656 -8.675 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -26.045 2.519 -4.961 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -28.039 -0.831 -6.688 1.00 0.00 H new ATOM 0 HH TYR A 48 -28.551 -0.013 -4.700 1.00 0.00 H new ATOM 725 N GLY A 49 -21.738 2.105 -9.949 1.00 0.00 N ATOM 726 CA GLY A 49 -20.822 2.639 -10.940 1.00 0.00 C ATOM 727 C GLY A 49 -21.330 3.922 -11.568 1.00 0.00 C ATOM 728 O GLY A 49 -21.157 4.145 -12.765 1.00 0.00 O ATOM 0 H GLY A 49 -21.881 2.700 -9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.855 2.825 -10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.662 1.895 -11.720 1.00 0.00 H new ATOM 732 N ASN A 50 -21.961 4.766 -10.758 1.00 0.00 N ATOM 733 CA ASN A 50 -22.498 6.032 -11.242 1.00 0.00 C ATOM 734 C ASN A 50 -21.690 7.208 -10.701 1.00 0.00 C ATOM 735 O ASN A 50 -21.204 7.173 -9.570 1.00 0.00 O ATOM 736 CB ASN A 50 -23.965 6.177 -10.833 1.00 0.00 C ATOM 737 CG ASN A 50 -24.228 5.666 -9.430 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.536 4.490 -9.234 1.00 0.00 O ATOM 739 ND2 ASN A 50 -24.108 6.549 -8.446 1.00 0.00 N ATOM 0 H ASN A 50 -22.113 4.596 -9.764 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.428 6.035 -12.330 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.254 7.226 -10.895 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.592 5.632 -11.539 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.273 6.263 -7.481 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -23.851 7.514 -8.655 1.00 0.00 H new ATOM 746 N TYR A 51 -21.550 8.247 -11.516 1.00 0.00 N ATOM 747 CA TYR A 51 -20.800 9.433 -11.122 1.00 0.00 C ATOM 748 C TYR A 51 -21.690 10.414 -10.365 1.00 0.00 C ATOM 749 O TYR A 51 -22.869 10.569 -10.680 1.00 0.00 O ATOM 750 CB TYR A 51 -20.200 10.116 -12.352 1.00 0.00 C ATOM 751 CG TYR A 51 -19.331 9.203 -13.187 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.101 8.759 -12.717 1.00 0.00 C ATOM 753 CD2 TYR A 51 -19.740 8.784 -14.447 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.304 7.926 -13.477 1.00 0.00 C ATOM 755 CE2 TYR A 51 -18.949 7.950 -15.214 1.00 0.00 C ATOM 756 CZ TYR A 51 -17.732 7.524 -14.725 1.00 0.00 C ATOM 757 OH TYR A 51 -16.941 6.693 -15.485 1.00 0.00 O ATOM 0 H TYR A 51 -21.947 8.292 -12.455 1.00 0.00 H new ATOM 0 HA TYR A 51 -19.993 9.118 -10.461 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.008 10.503 -12.973 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.608 10.972 -12.029 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.762 9.071 -11.740 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.692 9.116 -14.834 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.350 7.591 -13.096 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -19.282 7.633 -16.191 1.00 0.00 H new ATOM 0 HH TYR A 51 -17.388 6.504 -16.336 1.00 0.00 H new ATOM 767 N GLU A 52 -21.114 11.076 -9.365 1.00 0.00 N ATOM 768 CA GLU A 52 -21.855 12.042 -8.563 1.00 0.00 C ATOM 769 C GLU A 52 -20.971 13.227 -8.185 1.00 0.00 C ATOM 770 O GLU A 52 -19.808 13.055 -7.822 1.00 0.00 O ATOM 771 CB GLU A 52 -22.402 11.376 -7.299 1.00 0.00 C ATOM 772 CG GLU A 52 -23.763 10.729 -7.492 1.00 0.00 C ATOM 773 CD GLU A 52 -24.771 11.668 -8.125 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.647 12.894 -7.923 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.684 11.177 -8.821 1.00 0.00 O ATOM 0 H GLU A 52 -20.138 10.961 -9.092 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.689 12.409 -9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.694 10.619 -6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.473 12.122 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.654 9.843 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.141 10.393 -6.527 1.00 0.00 H new ATOM 782 N GLU A 53 -21.532 14.429 -8.274 1.00 0.00 N ATOM 783 CA GLU A 53 -20.794 15.642 -7.943 1.00 0.00 C ATOM 784 C GLU A 53 -20.748 15.856 -6.433 1.00 0.00 C ATOM 785 O GLU A 53 -21.727 16.288 -5.825 1.00 0.00 O ATOM 786 CB GLU A 53 -21.434 16.856 -8.621 1.00 0.00 C ATOM 787 CG GLU A 53 -20.613 18.128 -8.492 1.00 0.00 C ATOM 788 CD GLU A 53 -21.268 19.316 -9.170 1.00 0.00 C ATOM 789 OE1 GLU A 53 -22.506 19.447 -9.074 1.00 0.00 O ATOM 790 OE2 GLU A 53 -20.540 20.114 -9.797 1.00 0.00 O ATOM 0 H GLU A 53 -22.494 14.588 -8.572 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.773 15.526 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.582 16.635 -9.678 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.420 17.025 -8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.463 18.354 -7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.627 17.965 -8.926 1.00 0.00 H new ATOM 797 N VAL A 54 -19.602 15.549 -5.833 1.00 0.00 N ATOM 798 CA VAL A 54 -19.426 15.707 -4.394 1.00 0.00 C ATOM 799 C VAL A 54 -18.206 16.565 -4.081 1.00 0.00 C ATOM 800 O VAL A 54 -17.223 16.561 -4.823 1.00 0.00 O ATOM 801 CB VAL A 54 -19.274 14.343 -3.694 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.623 14.459 -2.218 1.00 0.00 C ATOM 803 CG2 VAL A 54 -20.143 13.296 -4.375 1.00 0.00 C ATOM 0 H VAL A 54 -18.782 15.189 -6.321 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.321 16.202 -4.018 1.00 0.00 H new ATOM 0 HB VAL A 54 -18.234 14.027 -3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.510 13.486 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -18.956 15.177 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.654 14.797 -2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -20.024 12.338 -3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -21.188 13.604 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.841 13.195 -5.417 1.00 0.00 H new ATOM 813 N LEU A 55 -18.274 17.301 -2.977 1.00 0.00 N ATOM 814 CA LEU A 55 -17.174 18.165 -2.563 1.00 0.00 C ATOM 815 C LEU A 55 -15.979 17.340 -2.097 1.00 0.00 C ATOM 816 O LEU A 55 -16.141 16.248 -1.550 1.00 0.00 O ATOM 817 CB LEU A 55 -17.629 19.103 -1.444 1.00 0.00 C ATOM 818 CG LEU A 55 -18.316 20.395 -1.888 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.273 20.887 -0.814 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.282 21.463 -2.214 1.00 0.00 C ATOM 0 H LEU A 55 -19.080 17.317 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.868 18.759 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.313 18.556 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.759 19.366 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.891 20.187 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -19.752 21.807 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.033 20.128 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.720 21.079 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.788 22.376 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.680 21.668 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.636 21.111 -3.019 1.00 0.00 H new ATOM 832 N LEU A 56 -14.781 17.869 -2.314 1.00 0.00 N ATOM 833 CA LEU A 56 -13.557 17.183 -1.914 1.00 0.00 C ATOM 834 C LEU A 56 -13.459 17.087 -0.395 1.00 0.00 C ATOM 835 O LEU A 56 -12.850 16.161 0.141 1.00 0.00 O ATOM 836 CB LEU A 56 -12.334 17.913 -2.471 1.00 0.00 C ATOM 837 CG LEU A 56 -12.233 17.989 -3.994 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.309 19.122 -4.413 1.00 0.00 C ATOM 839 CD2 LEU A 56 -11.748 16.664 -4.564 1.00 0.00 C ATOM 0 H LEU A 56 -14.630 18.771 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.586 16.173 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.331 18.929 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.438 17.421 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.226 18.192 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.250 19.160 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.700 20.068 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.314 18.951 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.682 16.737 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.765 16.431 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.449 15.874 -4.295 1.00 0.00 H new ATOM 851 N SER A 57 -14.063 18.050 0.294 1.00 0.00 N ATOM 852 CA SER A 57 -14.043 18.075 1.752 1.00 0.00 C ATOM 853 C SER A 57 -14.966 17.005 2.327 1.00 0.00 C ATOM 854 O SER A 57 -14.968 16.754 3.531 1.00 0.00 O ATOM 855 CB SER A 57 -14.460 19.454 2.265 1.00 0.00 C ATOM 856 OG SER A 57 -14.149 19.603 3.640 1.00 0.00 O ATOM 0 H SER A 57 -14.572 18.823 -0.134 1.00 0.00 H new ATOM 0 HA SER A 57 -13.025 17.866 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.954 20.228 1.689 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.530 19.593 2.114 1.00 0.00 H new ATOM 0 HG SER A 57 -14.298 18.752 4.103 1.00 0.00 H new ATOM 862 N ASN A 58 -15.749 16.378 1.456 1.00 0.00 N ATOM 863 CA ASN A 58 -16.678 15.335 1.876 1.00 0.00 C ATOM 864 C ASN A 58 -16.195 13.961 1.421 1.00 0.00 C ATOM 865 O ASN A 58 -16.981 13.019 1.318 1.00 0.00 O ATOM 866 CB ASN A 58 -18.074 15.609 1.313 1.00 0.00 C ATOM 867 CG ASN A 58 -18.737 16.806 1.968 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.256 17.319 2.979 1.00 0.00 O ATOM 869 ND2 ASN A 58 -19.846 17.256 1.394 1.00 0.00 N ATOM 0 H ASN A 58 -15.759 16.574 0.455 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.725 15.342 2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.003 15.779 0.239 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.700 14.728 1.455 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.336 18.058 1.790 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.208 16.799 0.557 1.00 0.00 H new ATOM 876 N ILE A 59 -14.898 13.855 1.151 1.00 0.00 N ATOM 877 CA ILE A 59 -14.311 12.597 0.709 1.00 0.00 C ATOM 878 C ILE A 59 -13.299 12.076 1.724 1.00 0.00 C ATOM 879 O ILE A 59 -12.440 12.820 2.200 1.00 0.00 O ATOM 880 CB ILE A 59 -13.618 12.748 -0.658 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.381 13.745 -1.533 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.513 11.398 -1.351 1.00 0.00 C ATOM 883 CD1 ILE A 59 -13.828 13.863 -2.936 1.00 0.00 C ATOM 0 H ILE A 59 -14.234 14.625 1.231 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.129 11.883 0.615 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.610 13.131 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.427 13.442 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.357 14.726 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -13.021 11.522 -2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.931 10.715 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.512 10.988 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.417 14.586 -3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.791 14.195 -2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.877 12.892 -3.429 1.00 0.00 H new ATOM 895 N LYS A 60 -13.405 10.793 2.052 1.00 0.00 N ATOM 896 CA LYS A 60 -12.498 10.169 3.008 1.00 0.00 C ATOM 897 C LYS A 60 -11.510 9.247 2.300 1.00 0.00 C ATOM 898 O LYS A 60 -11.864 8.507 1.382 1.00 0.00 O ATOM 899 CB LYS A 60 -13.289 9.380 4.054 1.00 0.00 C ATOM 900 CG LYS A 60 -14.603 10.036 4.444 1.00 0.00 C ATOM 901 CD LYS A 60 -14.404 11.081 5.528 1.00 0.00 C ATOM 902 CE LYS A 60 -14.134 12.455 4.935 1.00 0.00 C ATOM 903 NZ LYS A 60 -13.416 13.341 5.893 1.00 0.00 N ATOM 0 H LYS A 60 -14.111 10.164 1.669 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.937 10.959 3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.492 8.381 3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.675 9.258 4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.053 10.501 3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.301 9.275 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.291 11.124 6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.571 10.789 6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.542 12.348 4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.078 12.919 4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.251 14.268 5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.991 13.464 6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.504 12.911 6.147 1.00 0.00 H new ATOM 917 N PRO A 61 -10.242 9.290 2.736 1.00 0.00 N ATOM 918 CA PRO A 61 -9.179 8.463 2.159 1.00 0.00 C ATOM 919 C PRO A 61 -9.347 6.985 2.494 1.00 0.00 C ATOM 920 O PRO A 61 -9.425 6.608 3.663 1.00 0.00 O ATOM 921 CB PRO A 61 -7.907 9.016 2.807 1.00 0.00 C ATOM 922 CG PRO A 61 -8.368 9.618 4.090 1.00 0.00 C ATOM 923 CD PRO A 61 -9.750 10.149 3.826 1.00 0.00 C ATOM 0 HA PRO A 61 -9.174 8.509 1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.175 8.227 2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.429 9.760 2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.381 8.875 4.887 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.698 10.416 4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.383 10.079 4.710 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.728 11.198 3.532 1.00 0.00 H new ATOM 931 N VAL A 62 -9.403 6.151 1.460 1.00 0.00 N ATOM 932 CA VAL A 62 -9.561 4.713 1.645 1.00 0.00 C ATOM 933 C VAL A 62 -8.260 4.074 2.120 1.00 0.00 C ATOM 934 O VAL A 62 -7.175 4.453 1.680 1.00 0.00 O ATOM 935 CB VAL A 62 -10.013 4.026 0.343 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.055 2.516 0.523 1.00 0.00 C ATOM 937 CG2 VAL A 62 -11.369 4.557 -0.096 1.00 0.00 C ATOM 0 H VAL A 62 -9.341 6.447 0.486 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.329 4.574 2.405 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.289 4.255 -0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.376 2.047 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.062 2.153 0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.757 2.264 1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.673 4.061 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.106 4.360 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.301 5.631 -0.268 1.00 0.00 H new