USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=10 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 Set 1.1: A 57 THR OG1 : rot -26:sc= 1.07 USER MOD Set 1.2: A 60 GLN : amide:sc= 1.97 K(o=3,f=-5.5!) USER MOD Set 2.1: A 25 THR OG1 : rot 1:sc= 0.703 USER MOD Set 2.2: A 28 GLN :FLIP amide:sc= 0 F(o=-0.28,f=0.7) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 80:sc= 1.28 USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 1.31 (180deg=1.2) USER MOD Single : A 39 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.1) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.373 F(o=-1.1,f=-0.37) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0382 X(o=-0.038,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.0817 K(o=-0.082,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 155 N THR A 25 3.123 -2.404 -9.114 1.00 0.00 N ATOM 156 CA THR A 25 2.827 -2.561 -10.527 1.00 0.00 C ATOM 157 C THR A 25 1.490 -1.912 -10.855 1.00 0.00 C ATOM 158 O THR A 25 0.695 -1.645 -9.951 1.00 0.00 O ATOM 159 CB THR A 25 2.775 -4.050 -10.901 1.00 0.00 C ATOM 160 OG1 THR A 25 2.619 -4.838 -9.711 1.00 0.00 O ATOM 161 CG2 THR A 25 4.034 -4.474 -11.638 1.00 0.00 C ATOM 0 HA THR A 25 3.617 -2.076 -11.100 1.00 0.00 H new ATOM 0 HB THR A 25 1.924 -4.210 -11.564 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.566 -4.246 -8.932 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.969 -5.532 -11.890 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.135 -3.889 -12.552 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.903 -4.305 -11.001 1.00 0.00 H new ATOM 169 N LYS A 26 1.239 -1.655 -12.133 1.00 0.00 N ATOM 170 CA LYS A 26 -0.016 -1.047 -12.547 1.00 0.00 C ATOM 171 C LYS A 26 -1.187 -1.927 -12.125 1.00 0.00 C ATOM 172 O LYS A 26 -2.154 -1.445 -11.540 1.00 0.00 O ATOM 173 CB LYS A 26 -0.051 -0.820 -14.060 1.00 0.00 C ATOM 174 CG LYS A 26 -1.292 -0.074 -14.528 1.00 0.00 C ATOM 175 CD LYS A 26 -1.477 -0.181 -16.030 1.00 0.00 C ATOM 176 CE LYS A 26 -2.873 0.252 -16.448 1.00 0.00 C ATOM 177 NZ LYS A 26 -3.060 1.725 -16.355 1.00 0.00 N ATOM 0 H LYS A 26 1.885 -1.857 -12.896 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.098 -0.077 -12.057 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.835 -0.259 -14.357 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.002 -1.784 -14.566 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.170 -0.476 -14.023 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.214 0.976 -14.245 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.736 0.439 -16.535 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.303 -1.209 -16.347 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.060 -0.072 -17.472 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.609 -0.246 -15.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.026 1.972 -16.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.908 2.033 -15.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.376 2.202 -16.977 1.00 0.00 H new ATOM 191 N TYR A 27 -1.079 -3.223 -12.403 1.00 0.00 N ATOM 192 CA TYR A 27 -2.126 -4.175 -12.050 1.00 0.00 C ATOM 193 C TYR A 27 -2.357 -4.174 -10.545 1.00 0.00 C ATOM 194 O TYR A 27 -3.499 -4.162 -10.079 1.00 0.00 O ATOM 195 CB TYR A 27 -1.739 -5.579 -12.511 1.00 0.00 C ATOM 196 CG TYR A 27 -2.853 -6.591 -12.367 1.00 0.00 C ATOM 197 CD1 TYR A 27 -3.952 -6.560 -13.213 1.00 0.00 C ATOM 198 CD2 TYR A 27 -2.810 -7.573 -11.382 1.00 0.00 C ATOM 199 CE1 TYR A 27 -4.975 -7.477 -13.086 1.00 0.00 C ATOM 200 CE2 TYR A 27 -3.831 -8.493 -11.250 1.00 0.00 C ATOM 201 CZ TYR A 27 -4.911 -8.441 -12.102 1.00 0.00 C ATOM 202 OH TYR A 27 -5.931 -9.356 -11.974 1.00 0.00 O ATOM 0 H TYR A 27 -0.275 -3.638 -12.873 1.00 0.00 H new ATOM 0 HA TYR A 27 -3.047 -3.876 -12.550 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.430 -5.537 -13.555 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.876 -5.916 -11.936 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.008 -5.806 -13.984 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.965 -7.616 -10.711 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.822 -7.440 -13.754 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.783 -9.250 -10.482 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.732 -9.967 -11.234 1.00 0.00 H new ATOM 212 N GLN A 28 -1.259 -4.189 -9.796 1.00 0.00 N ATOM 213 CA GLN A 28 -1.317 -4.172 -8.342 1.00 0.00 C ATOM 214 C GLN A 28 -1.996 -2.898 -7.858 1.00 0.00 C ATOM 215 O GLN A 28 -2.901 -2.944 -7.026 1.00 0.00 O ATOM 216 CB GLN A 28 0.087 -4.275 -7.748 1.00 0.00 C ATOM 217 CG GLN A 28 0.099 -4.512 -6.245 1.00 0.00 C ATOM 218 CD GLN A 28 1.492 -4.443 -5.654 1.00 0.00 C ATOM 219 OE1 GLN A 28 2.492 -4.819 -6.437 1.00 0.00 O flip ATOM 220 NE2 GLN A 28 1.668 -4.050 -4.501 1.00 0.00 N flip ATOM 0 H GLN A 28 -0.313 -4.213 -10.177 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.899 -5.032 -8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.621 -5.088 -8.239 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.633 -3.357 -7.967 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.535 -3.770 -5.759 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.334 -5.489 -6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.870 -3.769 -3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.611 -4.005 -4.116 1.00 0.00 H new ATOM 229 N THR A 29 -1.560 -1.764 -8.394 1.00 0.00 N ATOM 230 CA THR A 29 -2.136 -0.477 -8.030 1.00 0.00 C ATOM 231 C THR A 29 -3.633 -0.476 -8.319 1.00 0.00 C ATOM 232 O THR A 29 -4.431 -0.050 -7.487 1.00 0.00 O ATOM 233 CB THR A 29 -1.461 0.680 -8.798 1.00 0.00 C ATOM 234 OG1 THR A 29 -0.034 0.593 -8.662 1.00 0.00 O ATOM 235 CG2 THR A 29 -1.934 2.030 -8.281 1.00 0.00 C ATOM 0 H THR A 29 -0.809 -1.711 -9.082 1.00 0.00 H new ATOM 0 HA THR A 29 -1.966 -0.325 -6.964 1.00 0.00 H new ATOM 0 HB THR A 29 -1.738 0.592 -9.849 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.315 -0.073 -9.291 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.442 2.826 -8.840 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.014 2.110 -8.408 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.686 2.122 -7.224 1.00 0.00 H new ATOM 243 N LEU A 30 -4.003 -0.993 -9.488 1.00 0.00 N ATOM 244 CA LEU A 30 -5.404 -1.069 -9.893 1.00 0.00 C ATOM 245 C LEU A 30 -6.195 -1.935 -8.922 1.00 0.00 C ATOM 246 O LEU A 30 -7.324 -1.607 -8.563 1.00 0.00 O ATOM 247 CB LEU A 30 -5.527 -1.646 -11.306 1.00 0.00 C ATOM 248 CG LEU A 30 -4.958 -0.774 -12.426 1.00 0.00 C ATOM 249 CD1 LEU A 30 -4.941 -1.542 -13.736 1.00 0.00 C ATOM 250 CD2 LEU A 30 -5.764 0.506 -12.568 1.00 0.00 C ATOM 0 H LEU A 30 -3.348 -1.367 -10.175 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.811 -0.058 -9.884 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.023 -2.612 -11.330 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.581 -1.831 -11.513 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.933 -0.506 -12.169 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.533 -0.909 -14.524 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.320 -2.432 -13.628 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.957 -1.838 -13.997 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.344 1.113 -13.370 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.799 0.260 -12.804 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.728 1.064 -11.633 1.00 0.00 H new ATOM 262 N GLU A 31 -5.588 -3.039 -8.495 1.00 0.00 N ATOM 263 CA GLU A 31 -6.232 -3.958 -7.566 1.00 0.00 C ATOM 264 C GLU A 31 -6.457 -3.285 -6.221 1.00 0.00 C ATOM 265 O GLU A 31 -7.553 -3.355 -5.656 1.00 0.00 O ATOM 266 CB GLU A 31 -5.382 -5.217 -7.387 1.00 0.00 C ATOM 267 CG GLU A 31 -6.182 -6.425 -6.930 1.00 0.00 C ATOM 268 CD GLU A 31 -7.009 -7.034 -8.045 1.00 0.00 C ATOM 269 OE1 GLU A 31 -7.634 -6.277 -8.818 1.00 0.00 O ATOM 270 OE2 GLU A 31 -7.028 -8.276 -8.158 1.00 0.00 O ATOM 0 H GLU A 31 -4.649 -3.318 -8.779 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.199 -4.243 -7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.891 -5.452 -8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.595 -5.015 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.501 -7.179 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.841 -6.131 -6.113 1.00 0.00 H new ATOM 277 N LEU A 32 -5.416 -2.632 -5.715 1.00 0.00 N ATOM 278 CA LEU A 32 -5.494 -1.927 -4.445 1.00 0.00 C ATOM 279 C LEU A 32 -6.540 -0.823 -4.524 1.00 0.00 C ATOM 280 O LEU A 32 -7.339 -0.640 -3.606 1.00 0.00 O ATOM 281 CB LEU A 32 -4.129 -1.338 -4.088 1.00 0.00 C ATOM 282 CG LEU A 32 -3.180 -2.263 -3.319 1.00 0.00 C ATOM 283 CD1 LEU A 32 -3.641 -2.427 -1.877 1.00 0.00 C ATOM 284 CD2 LEU A 32 -3.066 -3.619 -3.997 1.00 0.00 C ATOM 0 H LEU A 32 -4.505 -2.578 -6.170 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.786 -2.631 -3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.636 -1.029 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.288 -0.438 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.193 -1.802 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.954 -3.087 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.658 -1.453 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.642 -2.858 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.386 -4.254 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.049 -4.088 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.681 -3.489 -5.008 1.00 0.00 H new ATOM 296 N GLU A 33 -6.536 -0.104 -5.641 1.00 0.00 N ATOM 297 CA GLU A 33 -7.475 0.960 -5.884 1.00 0.00 C ATOM 298 C GLU A 33 -8.900 0.416 -5.898 1.00 0.00 C ATOM 299 O GLU A 33 -9.785 0.957 -5.243 1.00 0.00 O ATOM 300 CB GLU A 33 -7.143 1.599 -7.223 1.00 0.00 C ATOM 301 CG GLU A 33 -6.041 2.640 -7.148 1.00 0.00 C ATOM 302 CD GLU A 33 -6.561 4.011 -6.783 1.00 0.00 C ATOM 303 OE1 GLU A 33 -6.726 4.291 -5.583 1.00 0.00 O ATOM 304 OE2 GLU A 33 -6.791 4.827 -7.703 1.00 0.00 O ATOM 0 H GLU A 33 -5.873 -0.252 -6.402 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.405 1.704 -5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.846 0.819 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.043 2.064 -7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.301 2.328 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.530 2.693 -8.110 1.00 0.00 H new ATOM 311 N LYS A 34 -9.097 -0.672 -6.639 1.00 0.00 N ATOM 312 CA LYS A 34 -10.400 -1.321 -6.753 1.00 0.00 C ATOM 313 C LYS A 34 -10.950 -1.681 -5.376 1.00 0.00 C ATOM 314 O LYS A 34 -12.136 -1.496 -5.096 1.00 0.00 O ATOM 315 CB LYS A 34 -10.274 -2.583 -7.609 1.00 0.00 C ATOM 316 CG LYS A 34 -11.599 -3.259 -7.925 1.00 0.00 C ATOM 317 CD LYS A 34 -11.387 -4.665 -8.470 1.00 0.00 C ATOM 318 CE LYS A 34 -10.673 -4.651 -9.813 1.00 0.00 C ATOM 319 NZ LYS A 34 -9.949 -5.925 -10.079 1.00 0.00 N ATOM 0 H LYS A 34 -8.359 -1.127 -7.176 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.093 -0.626 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.779 -2.325 -8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.630 -3.295 -7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.210 -3.304 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.149 -2.663 -8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.805 -5.247 -7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.351 -5.162 -8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.399 -4.475 -10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.966 -3.821 -9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.592 -5.924 -11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.150 -6.015 -9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.598 -6.727 -9.948 1.00 0.00 H new ATOM 333 N GLU A 35 -10.077 -2.188 -4.520 1.00 0.00 N ATOM 334 CA GLU A 35 -10.469 -2.572 -3.175 1.00 0.00 C ATOM 335 C GLU A 35 -10.754 -1.346 -2.317 1.00 0.00 C ATOM 336 O GLU A 35 -11.809 -1.251 -1.703 1.00 0.00 O ATOM 337 CB GLU A 35 -9.383 -3.431 -2.519 1.00 0.00 C ATOM 338 CG GLU A 35 -9.342 -4.864 -3.025 1.00 0.00 C ATOM 339 CD GLU A 35 -10.673 -5.571 -2.876 1.00 0.00 C ATOM 340 OE1 GLU A 35 -10.925 -6.164 -1.807 1.00 0.00 O ATOM 341 OE2 GLU A 35 -11.475 -5.541 -3.834 1.00 0.00 O ATOM 0 H GLU A 35 -9.092 -2.343 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.384 -3.160 -3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.412 -2.967 -2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.543 -3.441 -1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.049 -4.867 -4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.578 -5.417 -2.479 1.00 0.00 H new ATOM 348 N PHE A 36 -9.827 -0.393 -2.316 1.00 0.00 N ATOM 349 CA PHE A 36 -9.954 0.818 -1.514 1.00 0.00 C ATOM 350 C PHE A 36 -11.170 1.655 -1.927 1.00 0.00 C ATOM 351 O PHE A 36 -11.790 2.322 -1.096 1.00 0.00 O ATOM 352 CB PHE A 36 -8.665 1.630 -1.643 1.00 0.00 C ATOM 353 CG PHE A 36 -8.597 2.832 -0.754 1.00 0.00 C ATOM 354 CD1 PHE A 36 -8.472 2.699 0.618 1.00 0.00 C ATOM 355 CD2 PHE A 36 -8.648 4.097 -1.299 1.00 0.00 C ATOM 356 CE1 PHE A 36 -8.397 3.814 1.431 1.00 0.00 C ATOM 357 CE2 PHE A 36 -8.575 5.220 -0.496 1.00 0.00 C ATOM 358 CZ PHE A 36 -8.449 5.077 0.873 1.00 0.00 C ATOM 0 H PHE A 36 -8.971 -0.438 -2.868 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.112 0.534 -0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.818 0.981 -1.421 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.556 1.953 -2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.433 1.713 1.058 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.746 4.213 -2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.298 3.698 2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.616 6.205 -0.937 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.391 5.951 1.505 1.00 0.00 H new ATOM 368 N LEU A 37 -11.513 1.616 -3.208 1.00 0.00 N ATOM 369 CA LEU A 37 -12.654 2.369 -3.715 1.00 0.00 C ATOM 370 C LEU A 37 -13.967 1.755 -3.247 1.00 0.00 C ATOM 371 O LEU A 37 -14.919 2.463 -2.921 1.00 0.00 O ATOM 372 CB LEU A 37 -12.623 2.426 -5.243 1.00 0.00 C ATOM 373 CG LEU A 37 -11.558 3.350 -5.837 1.00 0.00 C ATOM 374 CD1 LEU A 37 -11.604 3.307 -7.354 1.00 0.00 C ATOM 375 CD2 LEU A 37 -11.745 4.773 -5.334 1.00 0.00 C ATOM 0 H LEU A 37 -11.018 1.072 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.586 3.383 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.461 1.418 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.601 2.749 -5.599 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.578 3.000 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.840 3.970 -7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.419 2.288 -7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.586 3.632 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.979 5.416 -5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.730 5.136 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.660 4.789 -4.247 1.00 0.00 H new ATOM 387 N PHE A 38 -13.999 0.439 -3.205 1.00 0.00 N ATOM 388 CA PHE A 38 -15.182 -0.289 -2.781 1.00 0.00 C ATOM 389 C PHE A 38 -15.280 -0.319 -1.259 1.00 0.00 C ATOM 390 O PHE A 38 -16.336 -0.053 -0.676 1.00 0.00 O ATOM 391 CB PHE A 38 -15.115 -1.714 -3.319 1.00 0.00 C ATOM 392 CG PHE A 38 -16.407 -2.203 -3.904 1.00 0.00 C ATOM 393 CD1 PHE A 38 -17.447 -2.607 -3.085 1.00 0.00 C ATOM 394 CD2 PHE A 38 -16.581 -2.254 -5.277 1.00 0.00 C ATOM 395 CE1 PHE A 38 -18.639 -3.055 -3.624 1.00 0.00 C ATOM 396 CE2 PHE A 38 -17.768 -2.701 -5.823 1.00 0.00 C ATOM 397 CZ PHE A 38 -18.799 -3.102 -4.995 1.00 0.00 C ATOM 0 H PHE A 38 -13.211 -0.156 -3.462 1.00 0.00 H new ATOM 0 HA PHE A 38 -16.065 0.215 -3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.338 -1.768 -4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.816 -2.383 -2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -17.326 -2.572 -2.012 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.779 -1.940 -5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -19.443 -3.367 -2.974 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -17.890 -2.737 -6.895 1.00 0.00 H new ATOM 0 HZ PHE A 38 -19.729 -3.452 -5.419 1.00 0.00 H new ATOM 407 N ASN A 39 -14.160 -0.625 -0.634 1.00 0.00 N ATOM 408 CA ASN A 39 -14.065 -0.719 0.807 1.00 0.00 C ATOM 409 C ASN A 39 -12.717 -0.193 1.272 1.00 0.00 C ATOM 410 O ASN A 39 -11.688 -0.849 1.113 1.00 0.00 O ATOM 411 CB ASN A 39 -14.256 -2.164 1.281 1.00 0.00 C ATOM 412 CG ASN A 39 -13.842 -3.197 0.244 1.00 0.00 C ATOM 413 OD1 ASN A 39 -14.681 -3.749 -0.470 1.00 0.00 O ATOM 414 ND2 ASN A 39 -12.551 -3.459 0.143 1.00 0.00 N ATOM 0 H ASN A 39 -13.283 -0.817 -1.118 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.860 -0.112 1.241 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.676 -2.320 2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.303 -2.319 1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.220 -4.138 -0.543 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.885 -2.983 0.751 1.00 0.00 H new ATOM 421 N MET A 40 -12.741 0.999 1.842 1.00 0.00 N ATOM 422 CA MET A 40 -11.542 1.661 2.349 1.00 0.00 C ATOM 423 C MET A 40 -10.866 0.859 3.457 1.00 0.00 C ATOM 424 O MET A 40 -9.744 1.168 3.862 1.00 0.00 O ATOM 425 CB MET A 40 -11.893 3.050 2.868 1.00 0.00 C ATOM 426 CG MET A 40 -12.011 4.088 1.774 1.00 0.00 C ATOM 427 SD MET A 40 -11.852 5.774 2.392 1.00 0.00 S ATOM 428 CE MET A 40 -12.006 6.699 0.866 1.00 0.00 C ATOM 0 H MET A 40 -13.595 1.542 1.969 1.00 0.00 H new ATOM 0 HA MET A 40 -10.840 1.739 1.519 1.00 0.00 H new ATOM 0 HB2 MET A 40 -12.836 2.999 3.413 1.00 0.00 H new ATOM 0 HB3 MET A 40 -11.130 3.367 3.579 1.00 0.00 H new ATOM 0 HG2 MET A 40 -11.242 3.907 1.023 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.975 3.977 1.277 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.929 7.765 1.078 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.210 6.406 0.181 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.973 6.489 0.409 1.00 0.00 H new ATOM 438 N TYR A 41 -11.558 -0.147 3.958 1.00 0.00 N ATOM 439 CA TYR A 41 -11.021 -0.999 5.000 1.00 0.00 C ATOM 440 C TYR A 41 -11.306 -2.453 4.675 1.00 0.00 C ATOM 441 O TYR A 41 -12.201 -2.767 3.887 1.00 0.00 O ATOM 442 CB TYR A 41 -11.608 -0.621 6.362 1.00 0.00 C ATOM 443 CG TYR A 41 -11.027 -1.378 7.532 1.00 0.00 C ATOM 444 CD1 TYR A 41 -9.666 -1.330 7.811 1.00 0.00 C ATOM 445 CD2 TYR A 41 -11.840 -2.141 8.360 1.00 0.00 C ATOM 446 CE1 TYR A 41 -9.132 -2.022 8.881 1.00 0.00 C ATOM 447 CE2 TYR A 41 -11.314 -2.835 9.431 1.00 0.00 C ATOM 448 CZ TYR A 41 -9.960 -2.773 9.687 1.00 0.00 C ATOM 449 OH TYR A 41 -9.433 -3.471 10.750 1.00 0.00 O ATOM 0 H TYR A 41 -12.500 -0.395 3.657 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.941 -0.857 5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -11.455 0.446 6.525 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.685 -0.788 6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.015 -0.742 7.181 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.901 -2.192 8.163 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.072 -1.975 9.084 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.960 -3.424 10.066 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.151 -3.948 11.217 1.00 0.00 H new ATOM 459 N LEU A 42 -10.536 -3.332 5.283 1.00 0.00 N ATOM 460 CA LEU A 42 -10.670 -4.750 5.067 1.00 0.00 C ATOM 461 C LEU A 42 -10.662 -5.485 6.386 1.00 0.00 C ATOM 462 O LEU A 42 -10.081 -5.022 7.367 1.00 0.00 O ATOM 463 CB LEU A 42 -9.514 -5.280 4.230 1.00 0.00 C ATOM 464 CG LEU A 42 -9.273 -4.584 2.891 1.00 0.00 C ATOM 465 CD1 LEU A 42 -7.948 -5.031 2.296 1.00 0.00 C ATOM 466 CD2 LEU A 42 -10.407 -4.878 1.928 1.00 0.00 C ATOM 0 H LEU A 42 -9.799 -3.078 5.941 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.613 -4.914 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.602 -5.208 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.687 -6.339 4.039 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.235 -3.508 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.789 -4.527 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.138 -4.777 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.965 -6.109 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.219 -4.374 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.473 -5.953 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.345 -4.518 2.350 1.00 0.00 H new ATOM 478 N THR A 43 -11.281 -6.640 6.390 1.00 0.00 N ATOM 479 CA THR A 43 -11.337 -7.481 7.568 1.00 0.00 C ATOM 480 C THR A 43 -10.021 -8.238 7.702 1.00 0.00 C ATOM 481 O THR A 43 -9.156 -8.120 6.834 1.00 0.00 O ATOM 482 CB THR A 43 -12.500 -8.480 7.465 1.00 0.00 C ATOM 483 OG1 THR A 43 -12.636 -8.923 6.108 1.00 0.00 O ATOM 484 CG2 THR A 43 -13.802 -7.847 7.930 1.00 0.00 C ATOM 0 H THR A 43 -11.762 -7.027 5.578 1.00 0.00 H new ATOM 0 HA THR A 43 -11.498 -6.854 8.445 1.00 0.00 H new ATOM 0 HB THR A 43 -12.282 -9.331 8.110 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.377 -9.561 6.045 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.610 -8.574 7.847 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.703 -7.531 8.969 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.028 -6.981 7.308 1.00 0.00 H new ATOM 492 N ARG A 44 -9.858 -9.007 8.766 1.00 0.00 N ATOM 493 CA ARG A 44 -8.632 -9.769 8.961 1.00 0.00 C ATOM 494 C ARG A 44 -8.449 -10.791 7.848 1.00 0.00 C ATOM 495 O ARG A 44 -7.382 -10.881 7.241 1.00 0.00 O ATOM 496 CB ARG A 44 -8.643 -10.468 10.320 1.00 0.00 C ATOM 497 CG ARG A 44 -7.859 -9.721 11.382 1.00 0.00 C ATOM 498 CD ARG A 44 -6.405 -9.551 10.977 1.00 0.00 C ATOM 499 NE ARG A 44 -5.707 -8.618 11.852 1.00 0.00 N ATOM 500 CZ ARG A 44 -4.422 -8.292 11.731 1.00 0.00 C ATOM 501 NH1 ARG A 44 -3.680 -8.800 10.758 1.00 0.00 N ATOM 502 NH2 ARG A 44 -3.883 -7.446 12.594 1.00 0.00 N ATOM 0 H ARG A 44 -10.553 -9.121 9.504 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.794 -9.072 8.933 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -9.674 -10.584 10.653 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -8.229 -11.470 10.209 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.309 -8.742 11.548 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.915 -10.262 12.326 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.904 -10.519 11.004 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.353 -9.194 9.949 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.239 -8.186 12.608 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.092 -9.450 10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.697 -8.541 10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.451 -7.050 13.343 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.899 -7.190 12.510 1.00 0.00 H new ATOM 516 N ASP A 45 -9.501 -11.544 7.574 1.00 0.00 N ATOM 517 CA ASP A 45 -9.461 -12.572 6.537 1.00 0.00 C ATOM 518 C ASP A 45 -9.274 -11.965 5.162 1.00 0.00 C ATOM 519 O ASP A 45 -8.433 -12.416 4.386 1.00 0.00 O ATOM 520 CB ASP A 45 -10.737 -13.404 6.562 1.00 0.00 C ATOM 521 CG ASP A 45 -10.663 -14.603 5.639 1.00 0.00 C ATOM 522 OD1 ASP A 45 -10.070 -15.630 6.035 1.00 0.00 O ATOM 523 OD2 ASP A 45 -11.209 -14.530 4.518 1.00 0.00 O ATOM 0 H ASP A 45 -10.397 -11.466 8.054 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.606 -13.216 6.746 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.926 -13.744 7.580 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.581 -12.778 6.273 1.00 0.00 H new ATOM 528 N ARG A 46 -10.055 -10.938 4.867 1.00 0.00 N ATOM 529 CA ARG A 46 -9.974 -10.269 3.573 1.00 0.00 C ATOM 530 C ARG A 46 -8.594 -9.651 3.380 1.00 0.00 C ATOM 531 O ARG A 46 -8.020 -9.731 2.299 1.00 0.00 O ATOM 532 CB ARG A 46 -11.061 -9.198 3.433 1.00 0.00 C ATOM 533 CG ARG A 46 -11.112 -8.570 2.046 1.00 0.00 C ATOM 534 CD ARG A 46 -12.437 -7.867 1.789 1.00 0.00 C ATOM 535 NE ARG A 46 -12.501 -7.296 0.443 1.00 0.00 N ATOM 536 CZ ARG A 46 -13.629 -7.107 -0.242 1.00 0.00 C ATOM 537 NH1 ARG A 46 -14.806 -7.417 0.289 1.00 0.00 N ATOM 538 NH2 ARG A 46 -13.577 -6.595 -1.462 1.00 0.00 N ATOM 0 H ARG A 46 -10.751 -10.548 5.502 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.137 -11.018 2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.030 -9.642 3.659 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.888 -8.416 4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.296 -7.855 1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.959 -9.342 1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.255 -8.575 1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.577 -7.076 2.526 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.624 -7.024 -0.001 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.854 -7.804 1.231 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.662 -7.268 -0.245 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.677 -6.347 -1.873 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.437 -6.448 -1.991 1.00 0.00 H new ATOM 552 N ARG A 47 -8.064 -9.053 4.442 1.00 0.00 N ATOM 553 CA ARG A 47 -6.744 -8.435 4.397 1.00 0.00 C ATOM 554 C ARG A 47 -5.692 -9.487 4.091 1.00 0.00 C ATOM 555 O ARG A 47 -4.823 -9.280 3.247 1.00 0.00 O ATOM 556 CB ARG A 47 -6.428 -7.762 5.736 1.00 0.00 C ATOM 557 CG ARG A 47 -5.338 -6.706 5.668 1.00 0.00 C ATOM 558 CD ARG A 47 -4.949 -6.224 7.059 1.00 0.00 C ATOM 559 NE ARG A 47 -6.119 -5.931 7.890 1.00 0.00 N ATOM 560 CZ ARG A 47 -6.051 -5.436 9.128 1.00 0.00 C ATOM 561 NH1 ARG A 47 -4.874 -5.202 9.698 1.00 0.00 N ATOM 562 NH2 ARG A 47 -7.164 -5.196 9.810 1.00 0.00 N ATOM 0 H ARG A 47 -8.530 -8.983 5.347 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.737 -7.679 3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.338 -7.302 6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.130 -8.528 6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.462 -7.116 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.683 -5.862 5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.339 -6.984 7.548 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.333 -5.329 6.973 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.043 -6.117 7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.013 -5.401 9.189 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.832 -4.824 10.644 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.072 -5.390 9.388 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.111 -4.818 10.756 1.00 0.00 H new ATOM 576 N TYR A 48 -5.798 -10.623 4.766 1.00 0.00 N ATOM 577 CA TYR A 48 -4.859 -11.719 4.577 1.00 0.00 C ATOM 578 C TYR A 48 -4.989 -12.315 3.177 1.00 0.00 C ATOM 579 O TYR A 48 -3.991 -12.649 2.544 1.00 0.00 O ATOM 580 CB TYR A 48 -5.081 -12.801 5.636 1.00 0.00 C ATOM 581 CG TYR A 48 -3.998 -13.852 5.658 1.00 0.00 C ATOM 582 CD1 TYR A 48 -2.666 -13.495 5.820 1.00 0.00 C ATOM 583 CD2 TYR A 48 -4.305 -15.197 5.510 1.00 0.00 C ATOM 584 CE1 TYR A 48 -1.671 -14.448 5.831 1.00 0.00 C ATOM 585 CE2 TYR A 48 -3.312 -16.158 5.524 1.00 0.00 C ATOM 586 CZ TYR A 48 -1.996 -15.776 5.684 1.00 0.00 C ATOM 587 OH TYR A 48 -1.003 -16.726 5.694 1.00 0.00 O ATOM 0 H TYR A 48 -6.529 -10.810 5.453 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.850 -11.322 4.686 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.140 -12.331 6.618 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.041 -13.284 5.455 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.406 -12.454 5.939 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.335 -15.497 5.382 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.639 -14.153 5.955 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.565 -17.202 5.410 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.400 -17.615 5.580 1.00 0.00 H new ATOM 597 N GLU A 49 -6.222 -12.438 2.695 1.00 0.00 N ATOM 598 CA GLU A 49 -6.469 -12.993 1.368 1.00 0.00 C ATOM 599 C GLU A 49 -5.938 -12.062 0.295 1.00 0.00 C ATOM 600 O GLU A 49 -5.206 -12.488 -0.598 1.00 0.00 O ATOM 601 CB GLU A 49 -7.964 -13.236 1.156 1.00 0.00 C ATOM 602 CG GLU A 49 -8.264 -14.269 0.082 1.00 0.00 C ATOM 603 CD GLU A 49 -7.655 -15.617 0.394 1.00 0.00 C ATOM 604 OE1 GLU A 49 -8.228 -16.359 1.220 1.00 0.00 O ATOM 605 OE2 GLU A 49 -6.604 -15.949 -0.186 1.00 0.00 O ATOM 0 H GLU A 49 -7.063 -12.162 3.201 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.946 -13.947 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.408 -13.562 2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.443 -12.294 0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.344 -14.377 -0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.884 -13.914 -0.876 1.00 0.00 H new ATOM 612 N VAL A 50 -6.309 -10.795 0.385 1.00 0.00 N ATOM 613 CA VAL A 50 -5.846 -9.801 -0.571 1.00 0.00 C ATOM 614 C VAL A 50 -4.325 -9.778 -0.581 1.00 0.00 C ATOM 615 O VAL A 50 -3.700 -9.769 -1.641 1.00 0.00 O ATOM 616 CB VAL A 50 -6.401 -8.395 -0.239 1.00 0.00 C ATOM 617 CG1 VAL A 50 -5.696 -7.320 -1.048 1.00 0.00 C ATOM 618 CG2 VAL A 50 -7.899 -8.342 -0.484 1.00 0.00 C ATOM 0 H VAL A 50 -6.928 -10.431 1.109 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.215 -10.076 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.211 -8.202 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.108 -6.344 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.630 -7.335 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.844 -7.509 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.272 -7.346 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.105 -8.565 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.397 -9.077 0.148 1.00 0.00 H new ATOM 628 N ALA A 51 -3.743 -9.802 0.612 1.00 0.00 N ATOM 629 CA ALA A 51 -2.298 -9.807 0.761 1.00 0.00 C ATOM 630 C ALA A 51 -1.694 -11.038 0.100 1.00 0.00 C ATOM 631 O ALA A 51 -0.713 -10.935 -0.636 1.00 0.00 O ATOM 632 CB ALA A 51 -1.925 -9.767 2.231 1.00 0.00 C ATOM 0 H ALA A 51 -4.256 -9.818 1.494 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.897 -8.921 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.840 -9.771 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.328 -8.861 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.339 -10.640 2.735 1.00 0.00 H new ATOM 638 N ARG A 52 -2.302 -12.198 0.349 1.00 0.00 N ATOM 639 CA ARG A 52 -1.833 -13.452 -0.214 1.00 0.00 C ATOM 640 C ARG A 52 -1.861 -13.385 -1.731 1.00 0.00 C ATOM 641 O ARG A 52 -0.873 -13.700 -2.393 1.00 0.00 O ATOM 642 CB ARG A 52 -2.716 -14.599 0.274 1.00 0.00 C ATOM 643 CG ARG A 52 -1.980 -15.925 0.448 1.00 0.00 C ATOM 644 CD ARG A 52 -1.630 -16.566 -0.888 1.00 0.00 C ATOM 645 NE ARG A 52 -2.809 -16.744 -1.737 1.00 0.00 N ATOM 646 CZ ARG A 52 -2.806 -16.590 -3.061 1.00 0.00 C ATOM 647 NH1 ARG A 52 -1.680 -16.282 -3.696 1.00 0.00 N ATOM 648 NH2 ARG A 52 -3.932 -16.737 -3.746 1.00 0.00 N ATOM 0 H ARG A 52 -3.127 -12.289 0.943 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.807 -13.627 0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.164 -14.317 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.533 -14.740 -0.434 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.067 -15.760 1.020 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.600 -16.610 1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.900 -15.946 -1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.160 -17.534 -0.714 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.688 -17.002 -1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.814 -16.163 -3.170 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.682 -16.165 -4.709 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.798 -16.968 -3.260 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.932 -16.620 -4.759 1.00 0.00 H new ATOM 662 N VAL A 53 -2.998 -12.965 -2.272 1.00 0.00 N ATOM 663 CA VAL A 53 -3.163 -12.850 -3.722 1.00 0.00 C ATOM 664 C VAL A 53 -2.106 -11.917 -4.330 1.00 0.00 C ATOM 665 O VAL A 53 -1.671 -12.107 -5.470 1.00 0.00 O ATOM 666 CB VAL A 53 -4.578 -12.349 -4.094 1.00 0.00 C ATOM 667 CG1 VAL A 53 -4.726 -12.186 -5.601 1.00 0.00 C ATOM 668 CG2 VAL A 53 -5.638 -13.301 -3.561 1.00 0.00 C ATOM 0 H VAL A 53 -3.821 -12.698 -1.732 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.030 -13.849 -4.137 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.718 -11.372 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.731 -11.833 -5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.995 -11.462 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.558 -13.146 -6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.627 -12.933 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.488 -14.291 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.559 -13.363 -2.476 1.00 0.00 H new ATOM 678 N LEU A 54 -1.678 -10.924 -3.558 1.00 0.00 N ATOM 679 CA LEU A 54 -0.677 -9.966 -4.012 1.00 0.00 C ATOM 680 C LEU A 54 0.741 -10.431 -3.664 1.00 0.00 C ATOM 681 O LEU A 54 1.710 -9.721 -3.935 1.00 0.00 O ATOM 682 CB LEU A 54 -0.941 -8.603 -3.376 1.00 0.00 C ATOM 683 CG LEU A 54 -2.267 -7.950 -3.766 1.00 0.00 C ATOM 684 CD1 LEU A 54 -2.588 -6.809 -2.817 1.00 0.00 C ATOM 685 CD2 LEU A 54 -2.222 -7.451 -5.203 1.00 0.00 C ATOM 0 H LEU A 54 -2.012 -10.761 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.752 -9.889 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.914 -8.714 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.128 -7.929 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.055 -8.700 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.535 -6.352 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.665 -7.193 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.795 -6.062 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.176 -6.990 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.424 -6.716 -5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.033 -8.289 -5.874 1.00 0.00 H new ATOM 697 N ASN A 55 0.847 -11.618 -3.063 1.00 0.00 N ATOM 698 CA ASN A 55 2.134 -12.194 -2.668 1.00 0.00 C ATOM 699 C ASN A 55 2.843 -11.283 -1.656 1.00 0.00 C ATOM 700 O ASN A 55 4.066 -11.121 -1.668 1.00 0.00 O ATOM 701 CB ASN A 55 2.991 -12.433 -3.913 1.00 0.00 C ATOM 702 CG ASN A 55 4.307 -13.150 -3.641 1.00 0.00 C ATOM 703 OD1 ASN A 55 4.317 -14.062 -2.681 1.00 0.00 O flip ATOM 704 ND2 ASN A 55 5.310 -12.895 -4.308 1.00 0.00 N flip ATOM 0 H ASN A 55 0.045 -12.206 -2.837 1.00 0.00 H new ATOM 0 HA ASN A 55 1.969 -13.154 -2.178 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.414 -13.017 -4.630 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.204 -11.473 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.269 -12.186 -5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.182 -13.392 -4.128 1.00 0.00 H new ATOM 711 N LEU A 56 2.050 -10.693 -0.778 1.00 0.00 N ATOM 712 CA LEU A 56 2.553 -9.801 0.259 1.00 0.00 C ATOM 713 C LEU A 56 1.873 -10.129 1.584 1.00 0.00 C ATOM 714 O LEU A 56 1.061 -11.051 1.654 1.00 0.00 O ATOM 715 CB LEU A 56 2.272 -8.339 -0.115 1.00 0.00 C ATOM 716 CG LEU A 56 2.981 -7.831 -1.374 1.00 0.00 C ATOM 717 CD1 LEU A 56 2.388 -6.504 -1.823 1.00 0.00 C ATOM 718 CD2 LEU A 56 4.476 -7.694 -1.125 1.00 0.00 C ATOM 0 H LEU A 56 1.038 -10.817 -0.762 1.00 0.00 H new ATOM 0 HA LEU A 56 3.630 -9.940 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.197 -8.217 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.561 -7.706 0.724 1.00 0.00 H new ATOM 0 HG LEU A 56 2.831 -8.559 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.905 -6.159 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.328 -6.635 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.505 -5.766 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.964 -7.332 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.646 -6.987 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.890 -8.665 -0.853 1.00 0.00 H new ATOM 730 N THR A 57 2.206 -9.398 2.636 1.00 0.00 N ATOM 731 CA THR A 57 1.575 -9.625 3.923 1.00 0.00 C ATOM 732 C THR A 57 0.486 -8.576 4.150 1.00 0.00 C ATOM 733 O THR A 57 0.300 -7.673 3.330 1.00 0.00 O ATOM 734 CB THR A 57 2.581 -9.637 5.103 1.00 0.00 C ATOM 735 OG1 THR A 57 2.988 -8.309 5.454 1.00 0.00 O ATOM 736 CG2 THR A 57 3.809 -10.470 4.761 1.00 0.00 C ATOM 0 H THR A 57 2.901 -8.652 2.624 1.00 0.00 H new ATOM 0 HA THR A 57 1.132 -10.621 3.896 1.00 0.00 H new ATOM 0 HB THR A 57 2.072 -10.084 5.957 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.905 -7.724 4.672 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.500 -10.463 5.604 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.506 -11.495 4.549 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.302 -10.049 3.885 1.00 0.00 H new ATOM 744 N GLU A 58 -0.214 -8.689 5.261 1.00 0.00 N ATOM 745 CA GLU A 58 -1.313 -7.788 5.586 1.00 0.00 C ATOM 746 C GLU A 58 -0.818 -6.366 5.788 1.00 0.00 C ATOM 747 O GLU A 58 -1.541 -5.405 5.524 1.00 0.00 O ATOM 748 CB GLU A 58 -2.033 -8.276 6.841 1.00 0.00 C ATOM 749 CG GLU A 58 -2.775 -9.585 6.640 1.00 0.00 C ATOM 750 CD GLU A 58 -2.878 -10.401 7.910 1.00 0.00 C ATOM 751 OE1 GLU A 58 -1.901 -11.098 8.250 1.00 0.00 O ATOM 752 OE2 GLU A 58 -3.931 -10.348 8.578 1.00 0.00 O ATOM 0 H GLU A 58 -0.041 -9.405 5.966 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.010 -7.786 4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.306 -8.399 7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.740 -7.512 7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.777 -9.376 6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.266 -10.173 5.876 1.00 0.00 H new ATOM 759 N ARG A 59 0.420 -6.245 6.237 1.00 0.00 N ATOM 760 CA ARG A 59 1.026 -4.950 6.481 1.00 0.00 C ATOM 761 C ARG A 59 1.114 -4.138 5.200 1.00 0.00 C ATOM 762 O ARG A 59 0.910 -2.925 5.216 1.00 0.00 O ATOM 763 CB ARG A 59 2.419 -5.128 7.081 1.00 0.00 C ATOM 764 CG ARG A 59 2.873 -3.977 7.969 1.00 0.00 C ATOM 765 CD ARG A 59 4.372 -4.041 8.246 1.00 0.00 C ATOM 766 NE ARG A 59 4.894 -5.408 8.147 1.00 0.00 N ATOM 767 CZ ARG A 59 5.607 -5.856 7.116 1.00 0.00 C ATOM 768 NH1 ARG A 59 5.978 -5.019 6.163 1.00 0.00 N ATOM 769 NH2 ARG A 59 5.978 -7.127 7.057 1.00 0.00 N ATOM 0 H ARG A 59 1.029 -7.037 6.441 1.00 0.00 H new ATOM 0 HA ARG A 59 0.396 -4.408 7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.435 -6.049 7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.137 -5.251 6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.631 -3.029 7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.326 -4.006 8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.899 -3.400 7.539 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.573 -3.648 9.243 1.00 0.00 H new ATOM 0 HE ARG A 59 4.699 -6.053 8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.718 -4.034 6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.524 -5.358 5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.717 -7.770 7.805 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.524 -7.463 6.264 1.00 0.00 H new ATOM 783 N GLN A 60 1.396 -4.805 4.083 1.00 0.00 N ATOM 784 CA GLN A 60 1.508 -4.106 2.808 1.00 0.00 C ATOM 785 C GLN A 60 0.170 -3.521 2.393 1.00 0.00 C ATOM 786 O GLN A 60 0.105 -2.419 1.853 1.00 0.00 O ATOM 787 CB GLN A 60 2.003 -5.038 1.705 1.00 0.00 C ATOM 788 CG GLN A 60 3.505 -5.247 1.694 1.00 0.00 C ATOM 789 CD GLN A 60 3.969 -6.192 2.776 1.00 0.00 C ATOM 790 OE1 GLN A 60 3.186 -6.965 3.306 1.00 0.00 O ATOM 791 NE2 GLN A 60 5.244 -6.148 3.101 1.00 0.00 N ATOM 0 H GLN A 60 1.549 -5.812 4.035 1.00 0.00 H new ATOM 0 HA GLN A 60 2.231 -3.302 2.947 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.514 -6.006 1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.697 -4.635 0.740 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.806 -5.638 0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.003 -4.285 1.819 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.867 -5.488 2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.609 -6.774 3.819 1.00 0.00 H new ATOM 800 N VAL A 61 -0.891 -4.263 2.661 1.00 0.00 N ATOM 801 CA VAL A 61 -2.232 -3.841 2.290 1.00 0.00 C ATOM 802 C VAL A 61 -2.772 -2.775 3.238 1.00 0.00 C ATOM 803 O VAL A 61 -3.272 -1.736 2.802 1.00 0.00 O ATOM 804 CB VAL A 61 -3.204 -5.039 2.257 1.00 0.00 C ATOM 805 CG1 VAL A 61 -4.542 -4.630 1.669 1.00 0.00 C ATOM 806 CG2 VAL A 61 -2.604 -6.192 1.468 1.00 0.00 C ATOM 0 H VAL A 61 -0.850 -5.165 3.136 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.160 -3.411 1.291 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.369 -5.372 3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.212 -5.490 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.980 -3.839 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.397 -4.267 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.304 -7.028 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.406 -5.869 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.671 -6.507 1.936 1.00 0.00 H new ATOM 816 N LYS A 62 -2.651 -3.033 4.534 1.00 0.00 N ATOM 817 CA LYS A 62 -3.155 -2.119 5.553 1.00 0.00 C ATOM 818 C LYS A 62 -2.531 -0.736 5.433 1.00 0.00 C ATOM 819 O LYS A 62 -3.227 0.280 5.460 1.00 0.00 O ATOM 820 CB LYS A 62 -2.848 -2.671 6.939 1.00 0.00 C ATOM 821 CG LYS A 62 -3.844 -2.238 8.003 1.00 0.00 C ATOM 822 CD LYS A 62 -3.203 -2.183 9.382 1.00 0.00 C ATOM 823 CE LYS A 62 -1.968 -1.294 9.390 1.00 0.00 C ATOM 824 NZ LYS A 62 -1.489 -1.015 10.768 1.00 0.00 N ATOM 0 H LYS A 62 -2.206 -3.872 4.906 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.231 -2.029 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.831 -3.760 6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.850 -2.349 7.236 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.245 -1.257 7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.684 -2.932 8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.927 -1.808 10.106 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.929 -3.190 9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.172 -1.774 8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.196 -0.353 8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.647 -0.406 10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.238 -0.533 11.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.246 -1.910 11.239 1.00 0.00 H new ATOM 838 N ILE A 63 -1.220 -0.704 5.291 1.00 0.00 N ATOM 839 CA ILE A 63 -0.508 0.561 5.191 1.00 0.00 C ATOM 840 C ILE A 63 -0.741 1.233 3.841 1.00 0.00 C ATOM 841 O ILE A 63 -0.804 2.458 3.766 1.00 0.00 O ATOM 842 CB ILE A 63 1.000 0.392 5.458 1.00 0.00 C ATOM 843 CG1 ILE A 63 1.212 -0.217 6.847 1.00 0.00 C ATOM 844 CG2 ILE A 63 1.722 1.733 5.352 1.00 0.00 C ATOM 845 CD1 ILE A 63 2.653 -0.554 7.147 1.00 0.00 C ATOM 0 H ILE A 63 -0.627 -1.532 5.242 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.914 1.211 5.966 1.00 0.00 H new ATOM 0 HB ILE A 63 1.416 -0.277 4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.847 0.481 7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.611 -1.122 6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.785 1.590 5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.586 2.141 4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.311 2.427 6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.726 -0.981 8.147 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.017 -1.276 6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.257 0.352 7.094 1.00 0.00 H new ATOM 857 N TRP A 64 -0.894 0.446 2.780 1.00 0.00 N ATOM 858 CA TRP A 64 -1.143 1.020 1.460 1.00 0.00 C ATOM 859 C TRP A 64 -2.487 1.736 1.464 1.00 0.00 C ATOM 860 O TRP A 64 -2.625 2.826 0.911 1.00 0.00 O ATOM 861 CB TRP A 64 -1.128 -0.053 0.365 1.00 0.00 C ATOM 862 CG TRP A 64 -0.971 0.510 -1.022 1.00 0.00 C ATOM 863 CD1 TRP A 64 0.187 0.606 -1.737 1.00 0.00 C ATOM 864 CD2 TRP A 64 -2.003 1.055 -1.857 1.00 0.00 C ATOM 865 NE1 TRP A 64 -0.059 1.174 -2.962 1.00 0.00 N ATOM 866 CE2 TRP A 64 -1.394 1.458 -3.061 1.00 0.00 C ATOM 867 CE3 TRP A 64 -3.382 1.243 -1.705 1.00 0.00 C ATOM 868 CZ2 TRP A 64 -2.114 2.036 -4.104 1.00 0.00 C ATOM 869 CZ3 TRP A 64 -4.095 1.814 -2.742 1.00 0.00 C ATOM 870 CH2 TRP A 64 -3.461 2.206 -3.927 1.00 0.00 C ATOM 0 H TRP A 64 -0.851 -0.573 2.805 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.344 1.728 1.242 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.313 -0.750 0.561 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.055 -0.625 0.414 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.157 0.282 -1.389 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.640 1.355 -3.682 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.880 0.947 -0.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -1.627 2.339 -5.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.160 1.960 -2.636 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.046 2.652 -4.718 1.00 0.00 H new ATOM 881 N PHE A 65 -3.468 1.125 2.118 1.00 0.00 N ATOM 882 CA PHE A 65 -4.796 1.692 2.210 1.00 0.00 C ATOM 883 C PHE A 65 -4.757 3.029 2.929 1.00 0.00 C ATOM 884 O PHE A 65 -5.420 3.987 2.533 1.00 0.00 O ATOM 885 CB PHE A 65 -5.716 0.711 2.928 1.00 0.00 C ATOM 886 CG PHE A 65 -6.504 -0.167 1.996 1.00 0.00 C ATOM 887 CD1 PHE A 65 -5.993 -0.524 0.756 1.00 0.00 C ATOM 888 CD2 PHE A 65 -7.752 -0.639 2.360 1.00 0.00 C ATOM 889 CE1 PHE A 65 -6.715 -1.332 -0.100 1.00 0.00 C ATOM 890 CE2 PHE A 65 -8.478 -1.446 1.507 1.00 0.00 C ATOM 891 CZ PHE A 65 -7.958 -1.793 0.277 1.00 0.00 C ATOM 0 H PHE A 65 -3.361 0.229 2.594 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.183 1.868 1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.119 0.082 3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.407 1.269 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.019 -0.166 0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.163 -0.373 3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.307 -1.602 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.453 -1.806 1.802 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.525 -2.426 -0.390 1.00 0.00 H new ATOM 901 N GLN A 66 -3.951 3.087 3.968 1.00 0.00 N ATOM 902 CA GLN A 66 -3.792 4.305 4.747 1.00 0.00 C ATOM 903 C GLN A 66 -2.997 5.322 3.940 1.00 0.00 C ATOM 904 O GLN A 66 -3.266 6.521 3.982 1.00 0.00 O ATOM 905 CB GLN A 66 -3.087 4.003 6.069 1.00 0.00 C ATOM 906 CG GLN A 66 -3.779 4.598 7.288 1.00 0.00 C ATOM 907 CD GLN A 66 -3.772 6.115 7.300 1.00 0.00 C ATOM 908 OE1 GLN A 66 -2.848 6.739 7.814 1.00 0.00 O ATOM 909 NE2 GLN A 66 -4.810 6.720 6.741 1.00 0.00 N ATOM 0 H GLN A 66 -3.391 2.301 4.297 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.775 4.718 4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.018 2.922 6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.067 4.384 6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.810 4.246 7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.289 4.232 8.190 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.559 6.167 6.324 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.860 7.739 6.728 1.00 0.00 H new ATOM 918 N ASN A 67 -2.025 4.817 3.188 1.00 0.00 N ATOM 919 CA ASN A 67 -1.176 5.643 2.347 1.00 0.00 C ATOM 920 C ASN A 67 -2.021 6.357 1.304 1.00 0.00 C ATOM 921 O ASN A 67 -1.904 7.565 1.111 1.00 0.00 O ATOM 922 CB ASN A 67 -0.134 4.757 1.663 1.00 0.00 C ATOM 923 CG ASN A 67 1.294 5.123 2.021 1.00 0.00 C ATOM 924 OD1 ASN A 67 1.621 6.288 2.242 1.00 0.00 O ATOM 925 ND2 ASN A 67 2.158 4.118 2.084 1.00 0.00 N ATOM 0 H ASN A 67 -1.806 3.822 3.147 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.670 6.391 2.958 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.315 3.718 1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.260 4.828 0.583 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.133 4.298 2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.847 3.165 1.894 1.00 0.00 H new ATOM 932 N ARG A 68 -2.894 5.601 0.652 1.00 0.00 N ATOM 933 CA ARG A 68 -3.778 6.154 -0.365 1.00 0.00 C ATOM 934 C ARG A 68 -4.737 7.159 0.265 1.00 0.00 C ATOM 935 O ARG A 68 -5.039 8.198 -0.321 1.00 0.00 O ATOM 936 CB ARG A 68 -4.562 5.034 -1.052 1.00 0.00 C ATOM 937 CG ARG A 68 -5.137 5.421 -2.405 1.00 0.00 C ATOM 938 CD ARG A 68 -4.045 5.782 -3.399 1.00 0.00 C ATOM 939 NE ARG A 68 -4.521 5.737 -4.784 1.00 0.00 N ATOM 940 CZ ARG A 68 -3.810 6.151 -5.835 1.00 0.00 C ATOM 941 NH1 ARG A 68 -2.580 6.618 -5.670 1.00 0.00 N ATOM 942 NH2 ARG A 68 -4.325 6.085 -7.059 1.00 0.00 N ATOM 0 H ARG A 68 -3.009 4.600 0.810 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.174 6.666 -1.114 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.907 4.172 -1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.377 4.721 -0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.728 4.594 -2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.813 6.267 -2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.670 6.781 -3.178 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.207 5.094 -3.282 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.455 5.366 -4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.172 6.662 -4.736 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.042 6.933 -6.477 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.266 5.717 -7.197 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.779 6.402 -7.860 1.00 0.00 H new ATOM 956 N ARG A 69 -5.206 6.841 1.468 1.00 0.00 N ATOM 957 CA ARG A 69 -6.116 7.716 2.193 1.00 0.00 C ATOM 958 C ARG A 69 -5.414 9.022 2.556 1.00 0.00 C ATOM 959 O ARG A 69 -5.993 10.101 2.444 1.00 0.00 O ATOM 960 CB ARG A 69 -6.633 7.020 3.454 1.00 0.00 C ATOM 961 CG ARG A 69 -7.633 7.848 4.244 1.00 0.00 C ATOM 962 CD ARG A 69 -8.859 8.193 3.413 1.00 0.00 C ATOM 963 NE ARG A 69 -9.825 8.973 4.183 1.00 0.00 N ATOM 964 CZ ARG A 69 -10.184 10.224 3.885 1.00 0.00 C ATOM 965 NH1 ARG A 69 -9.733 10.805 2.779 1.00 0.00 N ATOM 966 NH2 ARG A 69 -11.011 10.878 4.686 1.00 0.00 N ATOM 0 H ARG A 69 -4.969 5.980 1.961 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.967 7.944 1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.099 6.076 3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.787 6.778 4.097 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.939 7.297 5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.155 8.766 4.586 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.555 8.757 2.531 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.330 7.276 3.059 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.252 8.535 4.999 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.110 10.295 2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.010 11.761 2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.371 10.426 5.527 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.288 11.834 4.463 1.00 0.00 H new