USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 416 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 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0823) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.9) USER MOD Single : A 29 THR OG1 : rot 73:sc= 0.782 USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0808) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.532 F(o=-1.1,f=-0.53) USER MOD Single : A 40 MET CE :methyl 157:sc= -0.171 (180deg=-0.934) USER MOD Single : A 41 TYR OH : rot 130:sc= 0.0742 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.259 K(o=-0.26,f=-0.87) USER MOD Single : A 57 THR OG1 : rot 130:sc= -0.977 USER MOD Single : A 60 GLN : amide:sc= -1.3! C(o=-1.3!,f=-4.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 155 N THR A 25 3.618 -5.018 -9.252 1.00 0.00 N ATOM 156 CA THR A 25 3.215 -5.082 -10.646 1.00 0.00 C ATOM 157 C THR A 25 1.952 -4.257 -10.892 1.00 0.00 C ATOM 158 O THR A 25 1.223 -3.910 -9.951 1.00 0.00 O ATOM 159 CB THR A 25 2.995 -6.548 -11.098 1.00 0.00 C ATOM 160 OG1 THR A 25 2.922 -6.624 -12.530 1.00 0.00 O ATOM 161 CG2 THR A 25 1.729 -7.133 -10.488 1.00 0.00 C ATOM 0 HA THR A 25 4.024 -4.658 -11.240 1.00 0.00 H new ATOM 0 HB THR A 25 3.846 -7.132 -10.748 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.785 -7.556 -12.802 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.604 -8.162 -10.825 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.807 -7.114 -9.401 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.868 -6.542 -10.800 1.00 0.00 H new ATOM 169 N LYS A 26 1.710 -3.931 -12.158 1.00 0.00 N ATOM 170 CA LYS A 26 0.542 -3.151 -12.557 1.00 0.00 C ATOM 171 C LYS A 26 -0.734 -3.800 -12.047 1.00 0.00 C ATOM 172 O LYS A 26 -1.590 -3.130 -11.469 1.00 0.00 O ATOM 173 CB LYS A 26 0.478 -3.028 -14.081 1.00 0.00 C ATOM 174 CG LYS A 26 1.605 -2.202 -14.676 1.00 0.00 C ATOM 175 CD LYS A 26 1.747 -2.436 -16.171 1.00 0.00 C ATOM 176 CE LYS A 26 2.281 -3.827 -16.472 1.00 0.00 C ATOM 177 NZ LYS A 26 3.715 -3.965 -16.107 1.00 0.00 N ATOM 0 H LYS A 26 2.315 -4.199 -12.934 1.00 0.00 H new ATOM 0 HA LYS A 26 0.634 -2.157 -12.120 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.501 -4.026 -14.518 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.475 -2.580 -14.361 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.418 -1.144 -14.490 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.542 -2.453 -14.178 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.779 -2.305 -16.654 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.418 -1.689 -16.595 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.695 -4.566 -15.925 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.155 -4.042 -17.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.079 -4.871 -16.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.257 -3.183 -16.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.814 -3.938 -15.072 1.00 0.00 H new ATOM 191 N TYR A 27 -0.839 -5.108 -12.253 1.00 0.00 N ATOM 192 CA TYR A 27 -2.001 -5.875 -11.821 1.00 0.00 C ATOM 193 C TYR A 27 -2.297 -5.645 -10.342 1.00 0.00 C ATOM 194 O TYR A 27 -3.435 -5.366 -9.965 1.00 0.00 O ATOM 195 CB TYR A 27 -1.768 -7.360 -12.077 1.00 0.00 C ATOM 196 CG TYR A 27 -2.992 -8.216 -11.861 1.00 0.00 C ATOM 197 CD1 TYR A 27 -4.161 -7.986 -12.576 1.00 0.00 C ATOM 198 CD2 TYR A 27 -2.979 -9.257 -10.945 1.00 0.00 C ATOM 199 CE1 TYR A 27 -5.280 -8.771 -12.383 1.00 0.00 C ATOM 200 CE2 TYR A 27 -4.094 -10.045 -10.747 1.00 0.00 C ATOM 201 CZ TYR A 27 -5.242 -9.800 -11.467 1.00 0.00 C ATOM 202 OH TYR A 27 -6.354 -10.592 -11.272 1.00 0.00 O ATOM 0 H TYR A 27 -0.124 -5.664 -12.722 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.862 -5.537 -12.397 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.420 -7.492 -13.102 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.971 -7.711 -11.422 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.195 -7.180 -13.294 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.082 -9.454 -10.377 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.181 -8.580 -12.947 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.067 -10.852 -10.029 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.157 -11.271 -10.593 1.00 0.00 H new ATOM 212 N GLN A 28 -1.265 -5.749 -9.513 1.00 0.00 N ATOM 213 CA GLN A 28 -1.417 -5.547 -8.080 1.00 0.00 C ATOM 214 C GLN A 28 -1.901 -4.134 -7.793 1.00 0.00 C ATOM 215 O GLN A 28 -2.832 -3.923 -7.016 1.00 0.00 O ATOM 216 CB GLN A 28 -0.085 -5.777 -7.378 1.00 0.00 C ATOM 217 CG GLN A 28 -0.133 -5.501 -5.884 1.00 0.00 C ATOM 218 CD GLN A 28 1.175 -5.823 -5.198 1.00 0.00 C ATOM 219 OE1 GLN A 28 1.834 -6.804 -5.532 1.00 0.00 O ATOM 220 NE2 GLN A 28 1.566 -4.991 -4.247 1.00 0.00 N ATOM 0 H GLN A 28 -0.315 -5.972 -9.810 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.153 -6.259 -7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.229 -6.808 -7.539 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.672 -5.139 -7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.379 -4.452 -5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.932 -6.090 -5.433 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.987 -4.188 -4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.447 -5.152 -3.759 1.00 0.00 H new ATOM 229 N THR A 29 -1.252 -3.178 -8.439 1.00 0.00 N ATOM 230 CA THR A 29 -1.583 -1.769 -8.280 1.00 0.00 C ATOM 231 C THR A 29 -3.045 -1.503 -8.641 1.00 0.00 C ATOM 232 O THR A 29 -3.769 -0.858 -7.886 1.00 0.00 O ATOM 233 CB THR A 29 -0.668 -0.889 -9.154 1.00 0.00 C ATOM 234 OG1 THR A 29 0.692 -1.352 -9.056 1.00 0.00 O ATOM 235 CG2 THR A 29 -0.738 0.570 -8.724 1.00 0.00 C ATOM 0 H THR A 29 -0.484 -3.355 -9.086 1.00 0.00 H new ATOM 0 HA THR A 29 -1.428 -1.513 -7.232 1.00 0.00 H new ATOM 0 HB THR A 29 -1.011 -0.963 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.786 -2.198 -9.542 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.083 1.168 -9.358 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.763 0.929 -8.821 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.419 0.659 -7.686 1.00 0.00 H new ATOM 243 N LEU A 30 -3.474 -2.027 -9.786 1.00 0.00 N ATOM 244 CA LEU A 30 -4.846 -1.851 -10.250 1.00 0.00 C ATOM 245 C LEU A 30 -5.840 -2.450 -9.261 1.00 0.00 C ATOM 246 O LEU A 30 -6.817 -1.798 -8.882 1.00 0.00 O ATOM 247 CB LEU A 30 -5.034 -2.497 -11.624 1.00 0.00 C ATOM 248 CG LEU A 30 -4.239 -1.855 -12.758 1.00 0.00 C ATOM 249 CD1 LEU A 30 -4.276 -2.738 -13.993 1.00 0.00 C ATOM 250 CD2 LEU A 30 -4.785 -0.471 -13.077 1.00 0.00 C ATOM 0 H LEU A 30 -2.888 -2.579 -10.412 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.035 -0.780 -10.328 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.754 -3.548 -11.555 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.093 -2.466 -11.881 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.203 -1.749 -12.437 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.705 -2.268 -14.794 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.841 -3.709 -13.759 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.309 -2.871 -14.314 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.206 -0.029 -13.888 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.829 -0.553 -13.380 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.712 0.162 -12.192 1.00 0.00 H new ATOM 262 N GLU A 31 -5.581 -3.688 -8.848 1.00 0.00 N ATOM 263 CA GLU A 31 -6.443 -4.387 -7.899 1.00 0.00 C ATOM 264 C GLU A 31 -6.573 -3.591 -6.604 1.00 0.00 C ATOM 265 O GLU A 31 -7.678 -3.379 -6.098 1.00 0.00 O ATOM 266 CB GLU A 31 -5.878 -5.786 -7.613 1.00 0.00 C ATOM 267 CG GLU A 31 -6.700 -6.607 -6.628 1.00 0.00 C ATOM 268 CD GLU A 31 -8.035 -7.049 -7.196 1.00 0.00 C ATOM 269 OE1 GLU A 31 -8.048 -7.888 -8.121 1.00 0.00 O ATOM 270 OE2 GLU A 31 -9.080 -6.568 -6.713 1.00 0.00 O ATOM 0 H GLU A 31 -4.775 -4.231 -9.158 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.436 -4.489 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.805 -6.334 -8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.865 -5.683 -7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.129 -7.486 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.872 -6.018 -5.727 1.00 0.00 H new ATOM 277 N LEU A 32 -5.442 -3.129 -6.088 1.00 0.00 N ATOM 278 CA LEU A 32 -5.418 -2.354 -4.859 1.00 0.00 C ATOM 279 C LEU A 32 -6.177 -1.043 -5.028 1.00 0.00 C ATOM 280 O LEU A 32 -6.915 -0.629 -4.137 1.00 0.00 O ATOM 281 CB LEU A 32 -3.973 -2.081 -4.437 1.00 0.00 C ATOM 282 CG LEU A 32 -3.248 -3.269 -3.801 1.00 0.00 C ATOM 283 CD1 LEU A 32 -1.796 -2.918 -3.513 1.00 0.00 C ATOM 284 CD2 LEU A 32 -3.955 -3.698 -2.525 1.00 0.00 C ATOM 0 H LEU A 32 -4.524 -3.280 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.911 -2.933 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.410 -1.758 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.968 -1.251 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.266 -4.101 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.297 -3.775 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.294 -2.655 -4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.755 -2.072 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.428 -4.544 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.965 -2.868 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.979 -3.990 -2.757 1.00 0.00 H new ATOM 296 N GLU A 33 -5.999 -0.400 -6.177 1.00 0.00 N ATOM 297 CA GLU A 33 -6.661 0.850 -6.470 1.00 0.00 C ATOM 298 C GLU A 33 -8.174 0.656 -6.536 1.00 0.00 C ATOM 299 O GLU A 33 -8.943 1.486 -6.048 1.00 0.00 O ATOM 300 CB GLU A 33 -6.142 1.384 -7.799 1.00 0.00 C ATOM 301 CG GLU A 33 -5.016 2.392 -7.662 1.00 0.00 C ATOM 302 CD GLU A 33 -4.567 2.943 -9.001 1.00 0.00 C ATOM 303 OE1 GLU A 33 -4.238 2.144 -9.900 1.00 0.00 O ATOM 304 OE2 GLU A 33 -4.558 4.182 -9.172 1.00 0.00 O ATOM 0 H GLU A 33 -5.392 -0.736 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.447 1.565 -5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.795 0.547 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.967 1.848 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.343 3.214 -7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.169 1.921 -7.164 1.00 0.00 H new ATOM 311 N LYS A 34 -8.586 -0.455 -7.135 1.00 0.00 N ATOM 312 CA LYS A 34 -10.000 -0.774 -7.274 1.00 0.00 C ATOM 313 C LYS A 34 -10.608 -1.087 -5.911 1.00 0.00 C ATOM 314 O LYS A 34 -11.692 -0.601 -5.578 1.00 0.00 O ATOM 315 CB LYS A 34 -10.179 -1.960 -8.223 1.00 0.00 C ATOM 316 CG LYS A 34 -11.628 -2.282 -8.546 1.00 0.00 C ATOM 317 CD LYS A 34 -11.726 -3.233 -9.724 1.00 0.00 C ATOM 318 CE LYS A 34 -13.136 -3.768 -9.897 1.00 0.00 C ATOM 319 NZ LYS A 34 -13.494 -4.754 -8.843 1.00 0.00 N ATOM 0 H LYS A 34 -7.957 -1.152 -7.533 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.516 0.090 -7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.648 -1.752 -9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.712 -2.840 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.108 -2.727 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.167 -1.362 -8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.418 -2.718 -10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.036 -4.065 -9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.843 -2.939 -9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.228 -4.236 -10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.383 -5.229 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.736 -5.460 -8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.614 -4.263 -7.934 1.00 0.00 H new ATOM 333 N GLU A 35 -9.895 -1.890 -5.131 1.00 0.00 N ATOM 334 CA GLU A 35 -10.339 -2.272 -3.796 1.00 0.00 C ATOM 335 C GLU A 35 -10.455 -1.042 -2.903 1.00 0.00 C ATOM 336 O GLU A 35 -11.421 -0.893 -2.167 1.00 0.00 O ATOM 337 CB GLU A 35 -9.354 -3.270 -3.185 1.00 0.00 C ATOM 338 CG GLU A 35 -9.872 -3.974 -1.942 1.00 0.00 C ATOM 339 CD GLU A 35 -11.041 -4.884 -2.243 1.00 0.00 C ATOM 340 OE1 GLU A 35 -10.838 -5.917 -2.917 1.00 0.00 O ATOM 341 OE2 GLU A 35 -12.167 -4.573 -1.814 1.00 0.00 O ATOM 0 H GLU A 35 -8.998 -2.293 -5.403 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.320 -2.740 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.101 -4.020 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.432 -2.746 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.067 -4.557 -1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.174 -3.230 -1.205 1.00 0.00 H new ATOM 348 N PHE A 36 -9.464 -0.163 -2.996 1.00 0.00 N ATOM 349 CA PHE A 36 -9.418 1.067 -2.213 1.00 0.00 C ATOM 350 C PHE A 36 -10.662 1.930 -2.428 1.00 0.00 C ATOM 351 O PHE A 36 -11.339 2.324 -1.479 1.00 0.00 O ATOM 352 CB PHE A 36 -8.164 1.857 -2.606 1.00 0.00 C ATOM 353 CG PHE A 36 -8.170 3.286 -2.155 1.00 0.00 C ATOM 354 CD1 PHE A 36 -8.495 3.599 -0.852 1.00 0.00 C ATOM 355 CD2 PHE A 36 -7.853 4.309 -3.033 1.00 0.00 C ATOM 356 CE1 PHE A 36 -8.505 4.910 -0.421 1.00 0.00 C ATOM 357 CE2 PHE A 36 -7.859 5.625 -2.611 1.00 0.00 C ATOM 358 CZ PHE A 36 -8.185 5.926 -1.301 1.00 0.00 C ATOM 0 H PHE A 36 -8.666 -0.284 -3.620 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.387 0.800 -1.157 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.289 1.360 -2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.057 1.831 -3.690 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.745 2.808 -0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.599 4.076 -4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.762 5.141 0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.610 6.416 -3.302 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.189 6.953 -0.967 1.00 0.00 H new ATOM 368 N LEU A 37 -10.944 2.216 -3.683 1.00 0.00 N ATOM 369 CA LEU A 37 -12.079 3.051 -4.061 1.00 0.00 C ATOM 370 C LEU A 37 -13.407 2.421 -3.658 1.00 0.00 C ATOM 371 O LEU A 37 -14.380 3.119 -3.374 1.00 0.00 O ATOM 372 CB LEU A 37 -12.051 3.306 -5.565 1.00 0.00 C ATOM 373 CG LEU A 37 -11.114 4.433 -6.011 1.00 0.00 C ATOM 374 CD1 LEU A 37 -10.902 4.397 -7.516 1.00 0.00 C ATOM 375 CD2 LEU A 37 -11.673 5.782 -5.587 1.00 0.00 C ATOM 0 H LEU A 37 -10.396 1.879 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.992 3.997 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.755 2.386 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.062 3.541 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.148 4.286 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.233 5.207 -7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.460 3.441 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.860 4.517 -8.021 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.997 6.574 -5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.651 5.931 -6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.772 5.810 -4.502 1.00 0.00 H new ATOM 387 N PHE A 38 -13.441 1.106 -3.647 1.00 0.00 N ATOM 388 CA PHE A 38 -14.640 0.376 -3.270 1.00 0.00 C ATOM 389 C PHE A 38 -14.762 0.312 -1.754 1.00 0.00 C ATOM 390 O PHE A 38 -15.800 0.643 -1.179 1.00 0.00 O ATOM 391 CB PHE A 38 -14.587 -1.039 -3.838 1.00 0.00 C ATOM 392 CG PHE A 38 -15.919 -1.555 -4.300 1.00 0.00 C ATOM 393 CD1 PHE A 38 -16.806 -2.130 -3.404 1.00 0.00 C ATOM 394 CD2 PHE A 38 -16.286 -1.463 -5.633 1.00 0.00 C ATOM 395 CE1 PHE A 38 -18.031 -2.604 -3.827 1.00 0.00 C ATOM 396 CE2 PHE A 38 -17.510 -1.936 -6.062 1.00 0.00 C ATOM 397 CZ PHE A 38 -18.384 -2.507 -5.159 1.00 0.00 C ATOM 0 H PHE A 38 -12.648 0.514 -3.896 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.508 0.896 -3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.890 -1.059 -4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.191 -1.712 -3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.535 -2.208 -2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.607 -1.016 -6.344 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.713 -3.050 -3.118 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -17.784 -1.859 -7.104 1.00 0.00 H new ATOM 0 HZ PHE A 38 -19.342 -2.877 -5.493 1.00 0.00 H new ATOM 407 N ASN A 39 -13.682 -0.108 -1.123 1.00 0.00 N ATOM 408 CA ASN A 39 -13.623 -0.249 0.324 1.00 0.00 C ATOM 409 C ASN A 39 -12.305 0.301 0.841 1.00 0.00 C ATOM 410 O ASN A 39 -11.278 -0.373 0.790 1.00 0.00 O ATOM 411 CB ASN A 39 -13.758 -1.721 0.747 1.00 0.00 C ATOM 412 CG ASN A 39 -14.784 -2.484 -0.066 1.00 0.00 C ATOM 413 OD1 ASN A 39 -14.340 -3.080 -1.163 1.00 0.00 O flip ATOM 414 ND2 ASN A 39 -15.960 -2.555 0.296 1.00 0.00 N flip ATOM 0 H ASN A 39 -12.817 -0.363 -1.599 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.455 0.312 0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.789 -2.211 0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.033 -1.766 1.801 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -16.261 -2.081 1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -16.632 -3.088 -0.256 1.00 0.00 H new ATOM 421 N MET A 40 -12.349 1.535 1.319 1.00 0.00 N ATOM 422 CA MET A 40 -11.181 2.209 1.868 1.00 0.00 C ATOM 423 C MET A 40 -10.549 1.370 2.969 1.00 0.00 C ATOM 424 O MET A 40 -9.333 1.386 3.163 1.00 0.00 O ATOM 425 CB MET A 40 -11.577 3.574 2.420 1.00 0.00 C ATOM 426 CG MET A 40 -11.917 4.603 1.357 1.00 0.00 C ATOM 427 SD MET A 40 -13.464 4.246 0.493 1.00 0.00 S ATOM 428 CE MET A 40 -14.630 4.301 1.850 1.00 0.00 C ATOM 0 H MET A 40 -13.198 2.100 1.337 1.00 0.00 H new ATOM 0 HA MET A 40 -10.452 2.343 1.069 1.00 0.00 H new ATOM 0 HB2 MET A 40 -12.437 3.451 3.078 1.00 0.00 H new ATOM 0 HB3 MET A 40 -10.760 3.957 3.031 1.00 0.00 H new ATOM 0 HG2 MET A 40 -11.986 5.587 1.821 1.00 0.00 H new ATOM 0 HG3 MET A 40 -11.105 4.649 0.631 1.00 0.00 H new ATOM 0 HE1 MET A 40 -15.628 4.509 1.464 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.633 3.341 2.366 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.340 5.087 2.547 1.00 0.00 H new ATOM 438 N TYR A 41 -11.387 0.659 3.704 1.00 0.00 N ATOM 439 CA TYR A 41 -10.913 -0.216 4.763 1.00 0.00 C ATOM 440 C TYR A 41 -11.423 -1.623 4.550 1.00 0.00 C ATOM 441 O TYR A 41 -12.546 -1.841 4.094 1.00 0.00 O ATOM 442 CB TYR A 41 -11.328 0.292 6.139 1.00 0.00 C ATOM 443 CG TYR A 41 -11.014 -0.638 7.296 1.00 0.00 C ATOM 444 CD1 TYR A 41 -9.711 -0.810 7.746 1.00 0.00 C ATOM 445 CD2 TYR A 41 -12.027 -1.332 7.949 1.00 0.00 C ATOM 446 CE1 TYR A 41 -9.426 -1.650 8.807 1.00 0.00 C ATOM 447 CE2 TYR A 41 -11.751 -2.173 9.009 1.00 0.00 C ATOM 448 CZ TYR A 41 -10.449 -2.329 9.436 1.00 0.00 C ATOM 449 OH TYR A 41 -10.169 -3.168 10.493 1.00 0.00 O ATOM 0 H TYR A 41 -12.400 0.670 3.587 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.824 -0.221 4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -10.836 1.248 6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.401 0.483 6.129 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.907 -0.279 7.259 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.049 -1.211 7.621 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.407 -1.774 9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.551 -2.706 9.501 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.761 -2.956 11.245 1.00 0.00 H new ATOM 459 N LEU A 42 -10.580 -2.563 4.898 1.00 0.00 N ATOM 460 CA LEU A 42 -10.867 -3.964 4.757 1.00 0.00 C ATOM 461 C LEU A 42 -10.782 -4.635 6.105 1.00 0.00 C ATOM 462 O LEU A 42 -10.089 -4.163 7.001 1.00 0.00 O ATOM 463 CB LEU A 42 -9.862 -4.639 3.825 1.00 0.00 C ATOM 464 CG LEU A 42 -9.744 -4.073 2.404 1.00 0.00 C ATOM 465 CD1 LEU A 42 -11.117 -3.904 1.767 1.00 0.00 C ATOM 466 CD2 LEU A 42 -8.969 -2.764 2.389 1.00 0.00 C ATOM 0 H LEU A 42 -9.660 -2.370 5.294 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.869 -4.061 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.879 -4.589 4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.125 -5.694 3.749 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.183 -4.793 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.004 -3.501 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.616 -4.872 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.715 -3.218 2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.904 -2.391 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.482 -2.030 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.965 -2.931 2.778 1.00 0.00 H new ATOM 478 N THR A 43 -11.474 -5.738 6.228 1.00 0.00 N ATOM 479 CA THR A 43 -11.477 -6.510 7.450 1.00 0.00 C ATOM 480 C THR A 43 -10.162 -7.269 7.592 1.00 0.00 C ATOM 481 O THR A 43 -9.365 -7.306 6.655 1.00 0.00 O ATOM 482 CB THR A 43 -12.651 -7.499 7.458 1.00 0.00 C ATOM 483 OG1 THR A 43 -13.460 -7.303 6.286 1.00 0.00 O ATOM 484 CG2 THR A 43 -13.499 -7.308 8.701 1.00 0.00 C ATOM 0 H THR A 43 -12.053 -6.129 5.485 1.00 0.00 H new ATOM 0 HA THR A 43 -11.589 -5.826 8.291 1.00 0.00 H new ATOM 0 HB THR A 43 -12.252 -8.513 7.459 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.207 -7.937 6.294 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.326 -8.017 8.690 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.888 -7.477 9.588 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.893 -6.292 8.720 1.00 0.00 H new ATOM 492 N ARG A 44 -9.947 -7.880 8.750 1.00 0.00 N ATOM 493 CA ARG A 44 -8.722 -8.627 9.012 1.00 0.00 C ATOM 494 C ARG A 44 -8.550 -9.760 8.007 1.00 0.00 C ATOM 495 O ARG A 44 -7.504 -9.884 7.368 1.00 0.00 O ATOM 496 CB ARG A 44 -8.738 -9.185 10.438 1.00 0.00 C ATOM 497 CG ARG A 44 -8.233 -8.202 11.491 1.00 0.00 C ATOM 498 CD ARG A 44 -9.222 -7.068 11.734 1.00 0.00 C ATOM 499 NE ARG A 44 -10.556 -7.571 12.054 1.00 0.00 N ATOM 500 CZ ARG A 44 -11.675 -6.849 11.978 1.00 0.00 C ATOM 501 NH1 ARG A 44 -11.627 -5.561 11.666 1.00 0.00 N ATOM 502 NH2 ARG A 44 -12.844 -7.420 12.230 1.00 0.00 N ATOM 0 H ARG A 44 -10.608 -7.873 9.527 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.878 -7.945 8.906 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -9.756 -9.482 10.690 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -8.125 -10.086 10.472 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.053 -8.733 12.426 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.277 -7.787 11.171 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.864 -6.442 12.551 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.275 -6.436 10.848 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.637 -8.542 12.357 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.729 -5.114 11.482 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.488 -5.017 11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.886 -8.408 12.481 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.702 -6.872 12.173 1.00 0.00 H new ATOM 516 N ASP A 45 -9.589 -10.569 7.858 1.00 0.00 N ATOM 517 CA ASP A 45 -9.561 -11.691 6.925 1.00 0.00 C ATOM 518 C ASP A 45 -9.497 -11.195 5.495 1.00 0.00 C ATOM 519 O ASP A 45 -8.747 -11.722 4.676 1.00 0.00 O ATOM 520 CB ASP A 45 -10.793 -12.572 7.101 1.00 0.00 C ATOM 521 CG ASP A 45 -10.710 -13.844 6.283 1.00 0.00 C ATOM 522 OD1 ASP A 45 -9.950 -14.755 6.676 1.00 0.00 O ATOM 523 OD2 ASP A 45 -11.413 -13.949 5.254 1.00 0.00 O ATOM 0 H ASP A 45 -10.465 -10.471 8.372 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.669 -12.280 7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.908 -12.827 8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.682 -12.012 6.810 1.00 0.00 H new ATOM 528 N ARG A 46 -10.295 -10.183 5.211 1.00 0.00 N ATOM 529 CA ARG A 46 -10.338 -9.586 3.883 1.00 0.00 C ATOM 530 C ARG A 46 -8.954 -9.088 3.482 1.00 0.00 C ATOM 531 O ARG A 46 -8.489 -9.351 2.374 1.00 0.00 O ATOM 532 CB ARG A 46 -11.349 -8.435 3.851 1.00 0.00 C ATOM 533 CG ARG A 46 -11.458 -7.752 2.496 1.00 0.00 C ATOM 534 CD ARG A 46 -12.298 -8.564 1.523 1.00 0.00 C ATOM 535 NE ARG A 46 -13.718 -8.536 1.875 1.00 0.00 N ATOM 536 CZ ARG A 46 -14.626 -9.380 1.386 1.00 0.00 C ATOM 537 NH1 ARG A 46 -14.269 -10.337 0.539 1.00 0.00 N ATOM 538 NH2 ARG A 46 -15.893 -9.261 1.757 1.00 0.00 N ATOM 0 H ARG A 46 -10.928 -9.752 5.885 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.654 -10.346 3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.330 -8.817 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.066 -7.694 4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.900 -6.764 2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.461 -7.605 2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.166 -8.172 0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.946 -9.596 1.513 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.033 -7.826 2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.293 -10.431 0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.970 -10.979 0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.166 -8.528 2.412 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.595 -9.902 1.388 1.00 0.00 H new ATOM 552 N ARG A 47 -8.293 -8.384 4.393 1.00 0.00 N ATOM 553 CA ARG A 47 -6.957 -7.868 4.136 1.00 0.00 C ATOM 554 C ARG A 47 -5.986 -9.025 3.942 1.00 0.00 C ATOM 555 O ARG A 47 -5.129 -8.982 3.063 1.00 0.00 O ATOM 556 CB ARG A 47 -6.488 -6.980 5.291 1.00 0.00 C ATOM 557 CG ARG A 47 -5.073 -6.452 5.123 1.00 0.00 C ATOM 558 CD ARG A 47 -4.581 -5.770 6.388 1.00 0.00 C ATOM 559 NE ARG A 47 -5.244 -4.486 6.619 1.00 0.00 N ATOM 560 CZ ARG A 47 -5.556 -4.017 7.825 1.00 0.00 C ATOM 561 NH1 ARG A 47 -5.282 -4.723 8.916 1.00 0.00 N ATOM 562 NH2 ARG A 47 -6.131 -2.829 7.936 1.00 0.00 N ATOM 0 H ARG A 47 -8.662 -8.158 5.317 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.986 -7.265 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.171 -6.136 5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.546 -7.547 6.220 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.404 -7.274 4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.043 -5.747 4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.754 -6.425 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.504 -5.614 6.319 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.481 -3.916 5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.829 -5.633 8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.525 -4.355 9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.332 -2.280 7.100 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.373 -2.464 8.857 1.00 0.00 H new ATOM 576 N TYR A 48 -6.136 -10.057 4.764 1.00 0.00 N ATOM 577 CA TYR A 48 -5.287 -11.238 4.682 1.00 0.00 C ATOM 578 C TYR A 48 -5.465 -11.927 3.332 1.00 0.00 C ATOM 579 O TYR A 48 -4.496 -12.371 2.721 1.00 0.00 O ATOM 580 CB TYR A 48 -5.623 -12.207 5.821 1.00 0.00 C ATOM 581 CG TYR A 48 -4.710 -13.410 5.905 1.00 0.00 C ATOM 582 CD1 TYR A 48 -3.452 -13.311 6.484 1.00 0.00 C ATOM 583 CD2 TYR A 48 -5.109 -14.645 5.409 1.00 0.00 C ATOM 584 CE1 TYR A 48 -2.618 -14.409 6.565 1.00 0.00 C ATOM 585 CE2 TYR A 48 -4.280 -15.746 5.486 1.00 0.00 C ATOM 586 CZ TYR A 48 -3.037 -15.624 6.064 1.00 0.00 C ATOM 587 OH TYR A 48 -2.212 -16.720 6.140 1.00 0.00 O ATOM 0 H TYR A 48 -6.842 -10.099 5.499 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.246 -10.929 4.779 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.580 -11.666 6.767 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.649 -12.552 5.697 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.121 -12.361 6.877 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.084 -14.745 4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.642 -14.317 7.019 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.605 -16.699 5.095 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.660 -17.495 5.742 1.00 0.00 H new ATOM 597 N GLU A 49 -6.708 -11.999 2.869 1.00 0.00 N ATOM 598 CA GLU A 49 -7.013 -12.629 1.591 1.00 0.00 C ATOM 599 C GLU A 49 -6.412 -11.827 0.456 1.00 0.00 C ATOM 600 O GLU A 49 -5.726 -12.377 -0.403 1.00 0.00 O ATOM 601 CB GLU A 49 -8.521 -12.746 1.403 1.00 0.00 C ATOM 602 CG GLU A 49 -8.927 -13.759 0.348 1.00 0.00 C ATOM 603 CD GLU A 49 -10.426 -13.948 0.285 1.00 0.00 C ATOM 604 OE1 GLU A 49 -10.991 -14.545 1.227 1.00 0.00 O ATOM 605 OE2 GLU A 49 -11.052 -13.491 -0.692 1.00 0.00 O ATOM 0 H GLU A 49 -7.521 -11.628 3.361 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.580 -13.629 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.977 -13.022 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.921 -11.770 1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.562 -13.433 -0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.451 -14.716 0.563 1.00 0.00 H new ATOM 612 N VAL A 50 -6.678 -10.530 0.459 1.00 0.00 N ATOM 613 CA VAL A 50 -6.143 -9.643 -0.562 1.00 0.00 C ATOM 614 C VAL A 50 -4.623 -9.757 -0.591 1.00 0.00 C ATOM 615 O VAL A 50 -4.010 -9.855 -1.656 1.00 0.00 O ATOM 616 CB VAL A 50 -6.566 -8.177 -0.315 1.00 0.00 C ATOM 617 CG1 VAL A 50 -5.825 -7.230 -1.244 1.00 0.00 C ATOM 618 CG2 VAL A 50 -8.070 -8.021 -0.489 1.00 0.00 C ATOM 0 H VAL A 50 -7.261 -10.068 1.157 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.550 -9.945 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.303 -7.919 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.142 -6.206 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.752 -7.317 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.048 -7.487 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.351 -6.983 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.350 -8.304 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.587 -8.664 0.223 1.00 0.00 H new ATOM 628 N ALA A 51 -4.027 -9.776 0.596 1.00 0.00 N ATOM 629 CA ALA A 51 -2.588 -9.910 0.730 1.00 0.00 C ATOM 630 C ALA A 51 -2.121 -11.243 0.162 1.00 0.00 C ATOM 631 O ALA A 51 -1.137 -11.307 -0.571 1.00 0.00 O ATOM 632 CB ALA A 51 -2.184 -9.797 2.189 1.00 0.00 C ATOM 0 H ALA A 51 -4.525 -9.699 1.483 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.113 -9.106 0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.102 -9.899 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.489 -8.825 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.670 -10.586 2.763 1.00 0.00 H new ATOM 638 N ARG A 52 -2.852 -12.301 0.492 1.00 0.00 N ATOM 639 CA ARG A 52 -2.537 -13.642 0.028 1.00 0.00 C ATOM 640 C ARG A 52 -2.577 -13.703 -1.491 1.00 0.00 C ATOM 641 O ARG A 52 -1.668 -14.233 -2.131 1.00 0.00 O ATOM 642 CB ARG A 52 -3.546 -14.626 0.611 1.00 0.00 C ATOM 643 CG ARG A 52 -2.984 -16.016 0.848 1.00 0.00 C ATOM 644 CD ARG A 52 -2.852 -16.797 -0.451 1.00 0.00 C ATOM 645 NE ARG A 52 -1.835 -17.837 -0.361 1.00 0.00 N ATOM 646 CZ ARG A 52 -0.791 -17.927 -1.178 1.00 0.00 C ATOM 647 NH1 ARG A 52 -0.631 -17.046 -2.160 1.00 0.00 N ATOM 648 NH2 ARG A 52 0.092 -18.897 -1.014 1.00 0.00 N ATOM 0 H ARG A 52 -3.678 -12.251 1.088 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.532 -13.906 0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.920 -14.230 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.398 -14.700 -0.064 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.008 -15.937 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.633 -16.559 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.812 -17.249 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.601 -16.113 -1.262 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.930 -18.538 0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.311 -16.297 -2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.172 -17.119 -2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.029 -19.575 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.894 -18.968 -1.640 1.00 0.00 H new ATOM 662 N VAL A 53 -3.647 -13.162 -2.050 1.00 0.00 N ATOM 663 CA VAL A 53 -3.833 -13.136 -3.500 1.00 0.00 C ATOM 664 C VAL A 53 -2.698 -12.373 -4.195 1.00 0.00 C ATOM 665 O VAL A 53 -2.301 -12.709 -5.313 1.00 0.00 O ATOM 666 CB VAL A 53 -5.197 -12.507 -3.877 1.00 0.00 C ATOM 667 CG1 VAL A 53 -5.353 -12.393 -5.386 1.00 0.00 C ATOM 668 CG2 VAL A 53 -6.338 -13.324 -3.294 1.00 0.00 C ATOM 0 H VAL A 53 -4.406 -12.732 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.817 -14.170 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.229 -11.502 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.320 -11.948 -5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.558 -11.764 -5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.293 -13.385 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.289 -12.868 -3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.296 -14.340 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.248 -13.351 -2.208 1.00 0.00 H new ATOM 678 N LEU A 54 -2.162 -11.363 -3.521 1.00 0.00 N ATOM 679 CA LEU A 54 -1.080 -10.562 -4.076 1.00 0.00 C ATOM 680 C LEU A 54 0.289 -11.123 -3.692 1.00 0.00 C ATOM 681 O LEU A 54 1.319 -10.512 -3.990 1.00 0.00 O ATOM 682 CB LEU A 54 -1.196 -9.123 -3.580 1.00 0.00 C ATOM 683 CG LEU A 54 -2.482 -8.396 -3.974 1.00 0.00 C ATOM 684 CD1 LEU A 54 -2.518 -7.008 -3.361 1.00 0.00 C ATOM 685 CD2 LEU A 54 -2.611 -8.313 -5.486 1.00 0.00 C ATOM 0 H LEU A 54 -2.460 -11.079 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.167 -10.591 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.117 -9.124 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.347 -8.556 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.328 -8.966 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.440 -6.505 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.476 -7.089 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.663 -6.432 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.533 -7.792 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.760 -7.768 -5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.633 -9.319 -5.905 1.00 0.00 H new ATOM 697 N ASN A 55 0.293 -12.284 -3.033 1.00 0.00 N ATOM 698 CA ASN A 55 1.525 -12.942 -2.592 1.00 0.00 C ATOM 699 C ASN A 55 2.297 -12.034 -1.629 1.00 0.00 C ATOM 700 O ASN A 55 3.529 -11.966 -1.645 1.00 0.00 O ATOM 701 CB ASN A 55 2.371 -13.297 -3.815 1.00 0.00 C ATOM 702 CG ASN A 55 3.564 -14.181 -3.492 1.00 0.00 C ATOM 703 OD1 ASN A 55 3.490 -15.050 -2.625 1.00 0.00 O ATOM 704 ND2 ASN A 55 4.669 -13.971 -4.193 1.00 0.00 N ATOM 0 H ASN A 55 -0.556 -12.794 -2.790 1.00 0.00 H new ATOM 0 HA ASN A 55 1.280 -13.859 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.742 -13.803 -4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.726 -12.378 -4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.498 -14.540 -4.021 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.691 -13.240 -4.904 1.00 0.00 H new ATOM 711 N LEU A 56 1.549 -11.340 -0.788 1.00 0.00 N ATOM 712 CA LEU A 56 2.119 -10.413 0.179 1.00 0.00 C ATOM 713 C LEU A 56 1.558 -10.658 1.575 1.00 0.00 C ATOM 714 O LEU A 56 0.862 -11.647 1.820 1.00 0.00 O ATOM 715 CB LEU A 56 1.801 -8.977 -0.231 1.00 0.00 C ATOM 716 CG LEU A 56 2.412 -8.515 -1.554 1.00 0.00 C ATOM 717 CD1 LEU A 56 1.848 -7.160 -1.939 1.00 0.00 C ATOM 718 CD2 LEU A 56 3.929 -8.449 -1.452 1.00 0.00 C ATOM 0 H LEU A 56 0.531 -11.402 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 56 3.197 -10.572 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.718 -8.868 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.143 -8.309 0.559 1.00 0.00 H new ATOM 0 HG LEU A 56 2.155 -9.238 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.288 -6.837 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.766 -7.234 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.084 -6.433 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.344 -8.118 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.211 -7.745 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.321 -9.437 -1.209 1.00 0.00 H new ATOM 730 N THR A 57 1.880 -9.749 2.482 1.00 0.00 N ATOM 731 CA THR A 57 1.410 -9.818 3.852 1.00 0.00 C ATOM 732 C THR A 57 0.377 -8.722 4.097 1.00 0.00 C ATOM 733 O THR A 57 0.146 -7.872 3.232 1.00 0.00 O ATOM 734 CB THR A 57 2.573 -9.657 4.847 1.00 0.00 C ATOM 735 OG1 THR A 57 3.455 -8.625 4.390 1.00 0.00 O ATOM 736 CG2 THR A 57 3.343 -10.957 5.001 1.00 0.00 C ATOM 0 H THR A 57 2.475 -8.944 2.287 1.00 0.00 H new ATOM 0 HA THR A 57 0.957 -10.797 4.007 1.00 0.00 H new ATOM 0 HB THR A 57 2.160 -9.387 5.819 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.627 -7.994 5.120 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.159 -10.815 5.710 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.674 -11.735 5.369 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.749 -11.256 4.035 1.00 0.00 H new ATOM 744 N GLU A 58 -0.224 -8.726 5.276 1.00 0.00 N ATOM 745 CA GLU A 58 -1.239 -7.740 5.625 1.00 0.00 C ATOM 746 C GLU A 58 -0.622 -6.351 5.702 1.00 0.00 C ATOM 747 O GLU A 58 -1.262 -5.348 5.373 1.00 0.00 O ATOM 748 CB GLU A 58 -1.896 -8.104 6.955 1.00 0.00 C ATOM 749 CG GLU A 58 -2.728 -9.375 6.897 1.00 0.00 C ATOM 750 CD GLU A 58 -2.879 -10.026 8.254 1.00 0.00 C ATOM 751 OE1 GLU A 58 -3.719 -9.564 9.053 1.00 0.00 O ATOM 752 OE2 GLU A 58 -2.144 -10.995 8.537 1.00 0.00 O ATOM 0 H GLU A 58 -0.026 -9.404 6.012 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.004 -7.738 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.121 -8.221 7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.532 -7.278 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.715 -9.142 6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.262 -10.080 6.208 1.00 0.00 H new ATOM 759 N ARG A 59 0.631 -6.308 6.130 1.00 0.00 N ATOM 760 CA ARG A 59 1.366 -5.059 6.248 1.00 0.00 C ATOM 761 C ARG A 59 1.476 -4.361 4.899 1.00 0.00 C ATOM 762 O ARG A 59 1.357 -3.136 4.815 1.00 0.00 O ATOM 763 CB ARG A 59 2.762 -5.326 6.821 1.00 0.00 C ATOM 764 CG ARG A 59 3.779 -4.238 6.503 1.00 0.00 C ATOM 765 CD ARG A 59 5.208 -4.731 6.675 1.00 0.00 C ATOM 766 NE ARG A 59 5.474 -5.942 5.902 1.00 0.00 N ATOM 767 CZ ARG A 59 5.930 -7.080 6.433 1.00 0.00 C ATOM 768 NH1 ARG A 59 6.197 -7.155 7.734 1.00 0.00 N ATOM 769 NH2 ARG A 59 6.132 -8.141 5.661 1.00 0.00 N ATOM 0 H ARG A 59 1.164 -7.134 6.404 1.00 0.00 H new ATOM 0 HA ARG A 59 0.820 -4.402 6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.685 -5.433 7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.128 -6.276 6.432 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.634 -3.894 5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.610 -3.381 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.900 -3.947 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.398 -4.927 7.730 1.00 0.00 H new ATOM 0 HE ARG A 59 5.301 -5.917 4.897 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.054 -6.341 8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.545 -8.026 8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.939 -8.088 4.661 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.480 -9.009 6.068 1.00 0.00 H new ATOM 783 N GLN A 60 1.673 -5.142 3.843 1.00 0.00 N ATOM 784 CA GLN A 60 1.815 -4.577 2.505 1.00 0.00 C ATOM 785 C GLN A 60 0.555 -3.813 2.111 1.00 0.00 C ATOM 786 O GLN A 60 0.620 -2.736 1.520 1.00 0.00 O ATOM 787 CB GLN A 60 2.082 -5.674 1.473 1.00 0.00 C ATOM 788 CG GLN A 60 3.039 -6.760 1.937 1.00 0.00 C ATOM 789 CD GLN A 60 4.460 -6.278 2.097 1.00 0.00 C ATOM 790 OE1 GLN A 60 4.902 -5.971 3.204 1.00 0.00 O ATOM 791 NE2 GLN A 60 5.185 -6.198 0.993 1.00 0.00 N ATOM 0 H GLN A 60 1.738 -6.159 3.885 1.00 0.00 H new ATOM 0 HA GLN A 60 2.664 -3.893 2.523 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.133 -6.136 1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.484 -5.215 0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.689 -7.160 2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.020 -7.581 1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.779 -6.463 0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.150 -5.872 1.039 1.00 0.00 H new ATOM 800 N VAL A 61 -0.587 -4.376 2.470 1.00 0.00 N ATOM 801 CA VAL A 61 -1.875 -3.777 2.144 1.00 0.00 C ATOM 802 C VAL A 61 -2.188 -2.592 3.055 1.00 0.00 C ATOM 803 O VAL A 61 -2.685 -1.562 2.601 1.00 0.00 O ATOM 804 CB VAL A 61 -3.014 -4.817 2.250 1.00 0.00 C ATOM 805 CG1 VAL A 61 -4.337 -4.227 1.783 1.00 0.00 C ATOM 806 CG2 VAL A 61 -2.675 -6.067 1.452 1.00 0.00 C ATOM 0 H VAL A 61 -0.650 -5.251 2.990 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.808 -3.421 1.116 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.119 -5.095 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.121 -4.979 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.591 -3.367 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.248 -3.912 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.489 -6.786 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.535 -5.803 0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.757 -6.509 1.840 1.00 0.00 H new ATOM 816 N LYS A 62 -1.870 -2.735 4.335 1.00 0.00 N ATOM 817 CA LYS A 62 -2.153 -1.696 5.321 1.00 0.00 C ATOM 818 C LYS A 62 -1.434 -0.388 5.019 1.00 0.00 C ATOM 819 O LYS A 62 -2.047 0.676 5.032 1.00 0.00 O ATOM 820 CB LYS A 62 -1.746 -2.174 6.710 1.00 0.00 C ATOM 821 CG LYS A 62 -2.687 -1.713 7.806 1.00 0.00 C ATOM 822 CD LYS A 62 -2.266 -2.243 9.164 1.00 0.00 C ATOM 823 CE LYS A 62 -3.203 -1.769 10.259 1.00 0.00 C ATOM 824 NZ LYS A 62 -2.798 -2.284 11.589 1.00 0.00 N ATOM 0 H LYS A 62 -1.414 -3.563 4.718 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.225 -1.505 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.703 -3.263 6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.741 -1.814 6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.711 -0.624 7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.700 -2.049 7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.251 -3.333 9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.250 -1.915 9.385 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.217 -0.679 10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.218 -2.096 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.462 -1.939 12.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.809 -3.324 11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.839 -1.951 11.813 1.00 0.00 H new ATOM 838 N ILE A 63 -0.144 -0.468 4.727 1.00 0.00 N ATOM 839 CA ILE A 63 0.644 0.725 4.438 1.00 0.00 C ATOM 840 C ILE A 63 0.200 1.383 3.135 1.00 0.00 C ATOM 841 O ILE A 63 0.082 2.608 3.062 1.00 0.00 O ATOM 842 CB ILE A 63 2.162 0.409 4.397 1.00 0.00 C ATOM 843 CG1 ILE A 63 2.743 0.402 5.814 1.00 0.00 C ATOM 844 CG2 ILE A 63 2.915 1.416 3.536 1.00 0.00 C ATOM 845 CD1 ILE A 63 2.413 -0.838 6.612 1.00 0.00 C ATOM 0 H ILE A 63 0.379 -1.342 4.684 1.00 0.00 H new ATOM 0 HA ILE A 63 0.468 1.429 5.252 1.00 0.00 H new ATOM 0 HB ILE A 63 2.283 -0.579 3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.827 0.502 5.751 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.373 1.275 6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.976 1.166 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.527 1.386 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.781 2.417 3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.862 -0.763 7.603 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.331 -0.931 6.709 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.808 -1.716 6.100 1.00 0.00 H new ATOM 857 N TRP A 64 -0.069 0.573 2.120 1.00 0.00 N ATOM 858 CA TRP A 64 -0.500 1.097 0.831 1.00 0.00 C ATOM 859 C TRP A 64 -1.822 1.848 0.978 1.00 0.00 C ATOM 860 O TRP A 64 -1.992 2.946 0.440 1.00 0.00 O ATOM 861 CB TRP A 64 -0.651 -0.035 -0.185 1.00 0.00 C ATOM 862 CG TRP A 64 -0.728 0.448 -1.602 1.00 0.00 C ATOM 863 CD1 TRP A 64 0.319 0.653 -2.455 1.00 0.00 C ATOM 864 CD2 TRP A 64 -1.912 0.794 -2.334 1.00 0.00 C ATOM 865 NE1 TRP A 64 -0.141 1.104 -3.668 1.00 0.00 N ATOM 866 CE2 TRP A 64 -1.506 1.194 -3.622 1.00 0.00 C ATOM 867 CE3 TRP A 64 -3.275 0.798 -2.028 1.00 0.00 C ATOM 868 CZ2 TRP A 64 -2.415 1.599 -4.596 1.00 0.00 C ATOM 869 CZ3 TRP A 64 -4.175 1.198 -2.997 1.00 0.00 C ATOM 870 CH2 TRP A 64 -3.741 1.593 -4.267 1.00 0.00 C ATOM 0 H TRP A 64 0.003 -0.444 2.163 1.00 0.00 H new ATOM 0 HA TRP A 64 0.261 1.790 0.471 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.193 -0.718 -0.086 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.551 -0.605 0.047 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.358 0.485 -2.211 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.441 1.335 -4.473 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.619 0.494 -1.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.084 1.907 -5.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.231 1.206 -2.770 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.470 1.900 -5.003 1.00 0.00 H new ATOM 881 N PHE A 65 -2.747 1.261 1.732 1.00 0.00 N ATOM 882 CA PHE A 65 -4.048 1.852 1.954 1.00 0.00 C ATOM 883 C PHE A 65 -3.961 3.046 2.889 1.00 0.00 C ATOM 884 O PHE A 65 -4.764 3.974 2.803 1.00 0.00 O ATOM 885 CB PHE A 65 -5.000 0.800 2.510 1.00 0.00 C ATOM 886 CG PHE A 65 -5.768 0.070 1.445 1.00 0.00 C ATOM 887 CD1 PHE A 65 -5.140 -0.859 0.630 1.00 0.00 C ATOM 888 CD2 PHE A 65 -7.115 0.318 1.257 1.00 0.00 C ATOM 889 CE1 PHE A 65 -5.844 -1.527 -0.351 1.00 0.00 C ATOM 890 CE2 PHE A 65 -7.825 -0.349 0.276 1.00 0.00 C ATOM 891 CZ PHE A 65 -7.190 -1.271 -0.529 1.00 0.00 C ATOM 0 H PHE A 65 -2.610 0.366 2.201 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.431 2.213 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.431 0.079 3.096 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.703 1.280 3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.088 -1.062 0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.618 1.040 1.883 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.343 -2.249 -0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.877 -0.148 0.140 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.743 -1.792 -1.297 1.00 0.00 H new ATOM 901 N GLN A 66 -2.974 3.023 3.763 1.00 0.00 N ATOM 902 CA GLN A 66 -2.760 4.107 4.711 1.00 0.00 C ATOM 903 C GLN A 66 -2.334 5.360 3.960 1.00 0.00 C ATOM 904 O GLN A 66 -2.800 6.463 4.248 1.00 0.00 O ATOM 905 CB GLN A 66 -1.693 3.715 5.734 1.00 0.00 C ATOM 906 CG GLN A 66 -2.084 3.996 7.177 1.00 0.00 C ATOM 907 CD GLN A 66 -2.111 5.476 7.505 1.00 0.00 C ATOM 908 OE1 GLN A 66 -3.149 6.131 7.399 1.00 0.00 O ATOM 909 NE2 GLN A 66 -0.971 6.008 7.905 1.00 0.00 N ATOM 0 H GLN A 66 -2.301 2.260 3.839 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.690 4.306 5.244 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.476 2.652 5.628 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.772 4.252 5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.068 3.568 7.371 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.381 3.495 7.842 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.135 5.428 7.978 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.926 6.999 8.141 1.00 0.00 H new ATOM 918 N ASN A 67 -1.460 5.167 2.977 1.00 0.00 N ATOM 919 CA ASN A 67 -0.967 6.267 2.156 1.00 0.00 C ATOM 920 C ASN A 67 -2.117 6.924 1.413 1.00 0.00 C ATOM 921 O ASN A 67 -2.178 8.145 1.293 1.00 0.00 O ATOM 922 CB ASN A 67 0.058 5.758 1.145 1.00 0.00 C ATOM 923 CG ASN A 67 1.063 6.821 0.754 1.00 0.00 C ATOM 924 OD1 ASN A 67 0.798 7.661 -0.108 1.00 0.00 O ATOM 925 ND2 ASN A 67 2.227 6.784 1.380 1.00 0.00 N ATOM 0 H ASN A 67 -1.077 4.255 2.729 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.494 6.997 2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.585 4.902 1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.460 5.406 0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.949 7.469 1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.403 6.070 2.087 1.00 0.00 H new ATOM 932 N ARG A 68 -3.031 6.098 0.927 1.00 0.00 N ATOM 933 CA ARG A 68 -4.186 6.563 0.195 1.00 0.00 C ATOM 934 C ARG A 68 -5.125 7.348 1.107 1.00 0.00 C ATOM 935 O ARG A 68 -5.745 8.324 0.686 1.00 0.00 O ATOM 936 CB ARG A 68 -4.908 5.363 -0.402 1.00 0.00 C ATOM 937 CG ARG A 68 -4.065 4.568 -1.387 1.00 0.00 C ATOM 938 CD ARG A 68 -3.729 5.384 -2.627 1.00 0.00 C ATOM 939 NE ARG A 68 -2.594 4.826 -3.362 1.00 0.00 N ATOM 940 CZ ARG A 68 -2.201 5.258 -4.562 1.00 0.00 C ATOM 941 NH1 ARG A 68 -2.840 6.254 -5.160 1.00 0.00 N ATOM 942 NH2 ARG A 68 -1.160 4.697 -5.166 1.00 0.00 N ATOM 0 H ARG A 68 -2.987 5.084 1.033 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.861 7.231 -0.603 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.226 4.703 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.811 5.708 -0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.143 4.248 -0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.602 3.665 -1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.600 5.424 -3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.503 6.410 -2.335 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.072 4.062 -2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.638 6.696 -4.703 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.534 6.579 -6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.658 3.933 -4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.862 5.030 -6.083 1.00 0.00 H new ATOM 956 N ARG A 69 -5.212 6.910 2.359 1.00 0.00 N ATOM 957 CA ARG A 69 -6.063 7.552 3.358 1.00 0.00 C ATOM 958 C ARG A 69 -5.615 8.986 3.623 1.00 0.00 C ATOM 959 O ARG A 69 -6.402 9.926 3.512 1.00 0.00 O ATOM 960 CB ARG A 69 -6.025 6.754 4.662 1.00 0.00 C ATOM 961 CG ARG A 69 -6.935 7.303 5.747 1.00 0.00 C ATOM 962 CD ARG A 69 -8.399 7.147 5.372 1.00 0.00 C ATOM 963 NE ARG A 69 -8.792 5.741 5.269 1.00 0.00 N ATOM 964 CZ ARG A 69 -10.022 5.291 5.512 1.00 0.00 C ATOM 965 NH1 ARG A 69 -10.991 6.143 5.828 1.00 0.00 N ATOM 966 NH2 ARG A 69 -10.283 3.989 5.428 1.00 0.00 N ATOM 0 H ARG A 69 -4.697 6.103 2.710 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.082 7.576 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.307 5.722 4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.001 6.736 5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.740 6.783 6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.711 8.356 5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.019 7.643 6.119 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.585 7.646 4.421 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.080 5.064 4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.793 7.142 5.885 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.933 5.798 6.014 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.541 3.335 5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.225 3.645 5.614 1.00 0.00 H new