USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 460 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 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc=-0.00707 (180deg=-0.209) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -125:sc= -0.0269 (180deg=-0.353) USER MOD Single : A 38 TYR OH : rot 40:sc= -0.124 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 145:sc= -3.4! (180deg=-6.13!) USER MOD Single : A 46 SER OG : rot -84:sc= -0.01 USER MOD Single : A 50 ASN : amide:sc= -2.96! C(o=-3!,f=-3.1!) USER MOD Single : A 51 THR OG1 : rot 31:sc= 0.374 USER MOD Single : A 57 ASN : amide:sc= -1.99! C(o=-2!,f=-5.9!) USER MOD Single : A 60 CYS SG : rot 55:sc= -1.46 USER MOD Single : A 69 GLN : amide:sc= -2.96! K(o=-3!,f=-0.58) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : B 5 GLN : amide:sc= -1.64! C(o=-1.6!,f=-1.6!) USER MOD Single : B 6 THR OG1 : rot -139:sc= -0.257 USER MOD ----------------------------------------------------------------- ATOM 179 N GLU A 19 -10.207 -5.222 2.708 1.00 0.00 N ATOM 180 CA GLU A 19 -9.972 -6.595 2.285 1.00 0.00 C ATOM 181 C GLU A 19 -8.535 -6.776 1.806 1.00 0.00 C ATOM 182 O GLU A 19 -8.012 -5.950 1.058 1.00 0.00 O ATOM 183 CB GLU A 19 -10.943 -6.958 1.167 1.00 0.00 C ATOM 184 CG GLU A 19 -10.761 -8.368 0.628 1.00 0.00 C ATOM 185 CD GLU A 19 -11.753 -8.707 -0.468 1.00 0.00 C ATOM 186 OE1 GLU A 19 -12.579 -7.835 -0.815 1.00 0.00 O ATOM 187 OE2 GLU A 19 -11.706 -9.846 -0.979 1.00 0.00 O ATOM 0 HA GLU A 19 -10.134 -7.255 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.963 -6.849 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.822 -6.248 0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.748 -8.477 0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.870 -9.082 1.445 1.00 0.00 H new ATOM 194 N GLU A 20 -7.898 -7.857 2.247 1.00 0.00 N ATOM 195 CA GLU A 20 -6.518 -8.138 1.866 1.00 0.00 C ATOM 196 C GLU A 20 -6.412 -8.498 0.388 1.00 0.00 C ATOM 197 O GLU A 20 -7.176 -9.319 -0.121 1.00 0.00 O ATOM 198 CB GLU A 20 -5.948 -9.272 2.717 1.00 0.00 C ATOM 199 CG GLU A 20 -6.084 -9.038 4.212 1.00 0.00 C ATOM 200 CD GLU A 20 -5.543 -10.190 5.033 1.00 0.00 C ATOM 201 OE1 GLU A 20 -4.338 -10.493 4.911 1.00 0.00 O ATOM 202 OE2 GLU A 20 -6.325 -10.793 5.799 1.00 0.00 O ATOM 0 H GLU A 20 -8.315 -8.551 2.867 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.938 -7.232 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.454 -10.201 2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.894 -9.404 2.473 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.555 -8.124 4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.135 -8.883 4.458 1.00 0.00 H new ATOM 209 N TYR A 21 -5.451 -7.880 -0.289 1.00 0.00 N ATOM 210 CA TYR A 21 -5.215 -8.124 -1.709 1.00 0.00 C ATOM 211 C TYR A 21 -3.738 -8.418 -1.960 1.00 0.00 C ATOM 212 O TYR A 21 -2.871 -7.675 -1.510 1.00 0.00 O ATOM 213 CB TYR A 21 -5.645 -6.907 -2.536 1.00 0.00 C ATOM 214 CG TYR A 21 -7.120 -6.874 -2.885 1.00 0.00 C ATOM 215 CD1 TYR A 21 -8.099 -7.021 -1.911 1.00 0.00 C ATOM 216 CD2 TYR A 21 -7.529 -6.686 -4.200 1.00 0.00 C ATOM 217 CE1 TYR A 21 -9.442 -6.985 -2.238 1.00 0.00 C ATOM 218 CE2 TYR A 21 -8.869 -6.646 -4.533 1.00 0.00 C ATOM 219 CZ TYR A 21 -9.821 -6.797 -3.549 1.00 0.00 C ATOM 220 OH TYR A 21 -11.157 -6.757 -3.877 1.00 0.00 O ATOM 0 H TYR A 21 -4.816 -7.199 0.127 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.806 -8.989 -2.011 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.395 -6.001 -1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.066 -6.888 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.807 -7.166 -0.881 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.786 -6.569 -4.975 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.191 -7.104 -1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.169 -6.497 -5.560 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.253 -6.616 -4.842 1.00 0.00 H new ATOM 230 N VAL A 22 -3.451 -9.499 -2.676 1.00 0.00 N ATOM 231 CA VAL A 22 -2.068 -9.864 -2.965 1.00 0.00 C ATOM 232 C VAL A 22 -1.317 -8.690 -3.587 1.00 0.00 C ATOM 233 O VAL A 22 -1.673 -8.213 -4.664 1.00 0.00 O ATOM 234 CB VAL A 22 -1.989 -11.077 -3.913 1.00 0.00 C ATOM 235 CG1 VAL A 22 -0.540 -11.461 -4.174 1.00 0.00 C ATOM 236 CG2 VAL A 22 -2.764 -12.252 -3.340 1.00 0.00 C ATOM 0 H VAL A 22 -4.149 -10.133 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.603 -10.132 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.443 -10.800 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.506 -12.319 -4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.018 -10.621 -4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.056 -11.718 -3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.697 -13.099 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.342 -12.530 -2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.809 -11.971 -3.212 1.00 0.00 H new ATOM 246 N VAL A 23 -0.276 -8.228 -2.897 1.00 0.00 N ATOM 247 CA VAL A 23 0.523 -7.107 -3.378 1.00 0.00 C ATOM 248 C VAL A 23 1.980 -7.513 -3.580 1.00 0.00 C ATOM 249 O VAL A 23 2.570 -8.195 -2.742 1.00 0.00 O ATOM 250 CB VAL A 23 0.446 -5.903 -2.416 1.00 0.00 C ATOM 251 CG1 VAL A 23 0.867 -6.297 -1.011 1.00 0.00 C ATOM 252 CG2 VAL A 23 1.291 -4.747 -2.927 1.00 0.00 C ATOM 0 H VAL A 23 0.032 -8.613 -2.004 1.00 0.00 H new ATOM 0 HA VAL A 23 0.105 -6.809 -4.339 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.593 -5.574 -2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.803 -5.429 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.207 -7.082 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.893 -6.664 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.221 -3.910 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.331 -5.064 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.928 -4.437 -3.907 1.00 0.00 H new ATOM 262 N GLU A 24 2.545 -7.100 -4.710 1.00 0.00 N ATOM 263 CA GLU A 24 3.925 -7.428 -5.047 1.00 0.00 C ATOM 264 C GLU A 24 4.921 -6.679 -4.166 1.00 0.00 C ATOM 265 O GLU A 24 5.794 -7.291 -3.551 1.00 0.00 O ATOM 266 CB GLU A 24 4.198 -7.103 -6.514 1.00 0.00 C ATOM 267 CG GLU A 24 5.543 -7.610 -6.996 1.00 0.00 C ATOM 268 CD GLU A 24 5.589 -9.121 -7.113 1.00 0.00 C ATOM 269 OE1 GLU A 24 4.798 -9.680 -7.901 1.00 0.00 O ATOM 270 OE2 GLU A 24 6.417 -9.746 -6.417 1.00 0.00 O ATOM 0 H GLU A 24 2.065 -6.535 -5.411 1.00 0.00 H new ATOM 0 HA GLU A 24 4.057 -8.496 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.411 -7.539 -7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.152 -6.023 -6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.767 -7.167 -7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.320 -7.279 -6.307 1.00 0.00 H new ATOM 277 N LYS A 25 4.799 -5.351 -4.123 1.00 0.00 N ATOM 278 CA LYS A 25 5.714 -4.530 -3.330 1.00 0.00 C ATOM 279 C LYS A 25 5.333 -3.054 -3.395 1.00 0.00 C ATOM 280 O LYS A 25 4.786 -2.590 -4.396 1.00 0.00 O ATOM 281 CB LYS A 25 7.139 -4.700 -3.852 1.00 0.00 C ATOM 282 CG LYS A 25 8.188 -3.967 -3.030 1.00 0.00 C ATOM 283 CD LYS A 25 9.587 -4.165 -3.598 1.00 0.00 C ATOM 284 CE LYS A 25 9.998 -5.630 -3.585 1.00 0.00 C ATOM 285 NZ LYS A 25 9.990 -6.200 -2.210 1.00 0.00 N ATOM 0 H LYS A 25 4.082 -4.825 -4.623 1.00 0.00 H new ATOM 0 HA LYS A 25 5.649 -4.860 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.384 -5.762 -3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.183 -4.343 -4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.953 -2.903 -3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.159 -4.324 -2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.622 -3.786 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.301 -3.582 -3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.320 -6.202 -4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.995 -5.730 -4.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.465 -7.125 -2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.492 -5.557 -1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.008 -6.316 -1.888 1.00 0.00 H new ATOM 299 N VAL A 26 5.635 -2.318 -2.328 1.00 0.00 N ATOM 300 CA VAL A 26 5.332 -0.893 -2.285 1.00 0.00 C ATOM 301 C VAL A 26 6.222 -0.136 -3.265 1.00 0.00 C ATOM 302 O VAL A 26 7.418 -0.413 -3.370 1.00 0.00 O ATOM 303 CB VAL A 26 5.502 -0.303 -0.862 1.00 0.00 C ATOM 304 CG1 VAL A 26 5.138 -1.326 0.196 1.00 0.00 C ATOM 305 CG2 VAL A 26 6.903 0.213 -0.636 1.00 0.00 C ATOM 0 H VAL A 26 6.086 -2.683 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 26 4.287 -0.776 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 26 4.818 0.542 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.266 -0.887 1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.100 -1.631 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.787 -2.197 0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.983 0.619 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.615 -0.603 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.123 0.997 -1.361 1.00 0.00 H new ATOM 315 N LEU A 27 5.639 0.805 -3.996 1.00 0.00 N ATOM 316 CA LEU A 27 6.401 1.576 -4.966 1.00 0.00 C ATOM 317 C LEU A 27 6.934 2.868 -4.357 1.00 0.00 C ATOM 318 O LEU A 27 8.100 3.208 -4.550 1.00 0.00 O ATOM 319 CB LEU A 27 5.559 1.873 -6.204 1.00 0.00 C ATOM 320 CG LEU A 27 5.108 0.641 -6.992 1.00 0.00 C ATOM 321 CD1 LEU A 27 4.241 1.053 -8.171 1.00 0.00 C ATOM 322 CD2 LEU A 27 6.313 -0.158 -7.467 1.00 0.00 C ATOM 0 H LEU A 27 4.651 1.050 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 27 7.257 0.972 -5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.675 2.433 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.132 2.520 -6.868 1.00 0.00 H new ATOM 0 HG LEU A 27 4.514 0.007 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.929 0.165 -8.721 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.361 1.583 -7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.811 1.707 -8.831 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.974 -1.030 -8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.933 0.466 -8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.897 -0.483 -6.606 1.00 0.00 H new ATOM 334 N ASP A 28 6.088 3.594 -3.624 1.00 0.00 N ATOM 335 CA ASP A 28 6.534 4.845 -3.011 1.00 0.00 C ATOM 336 C ASP A 28 5.759 5.149 -1.725 1.00 0.00 C ATOM 337 O ASP A 28 5.157 4.257 -1.127 1.00 0.00 O ATOM 338 CB ASP A 28 6.381 5.995 -4.013 1.00 0.00 C ATOM 339 CG ASP A 28 7.252 7.192 -3.678 1.00 0.00 C ATOM 340 OD1 ASP A 28 8.035 7.108 -2.708 1.00 0.00 O ATOM 341 OD2 ASP A 28 7.156 8.212 -4.392 1.00 0.00 O ATOM 0 H ASP A 28 5.115 3.346 -3.444 1.00 0.00 H new ATOM 0 HA ASP A 28 7.585 4.737 -2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.634 5.636 -5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.337 6.308 -4.042 1.00 0.00 H new ATOM 346 N ARG A 29 5.789 6.414 -1.304 1.00 0.00 N ATOM 347 CA ARG A 29 5.105 6.850 -0.089 1.00 0.00 C ATOM 348 C ARG A 29 5.082 8.375 -0.012 1.00 0.00 C ATOM 349 O ARG A 29 6.092 9.031 -0.269 1.00 0.00 O ATOM 350 CB ARG A 29 5.811 6.288 1.148 1.00 0.00 C ATOM 351 CG ARG A 29 7.217 6.837 1.346 1.00 0.00 C ATOM 352 CD ARG A 29 7.862 6.293 2.611 1.00 0.00 C ATOM 353 NE ARG A 29 9.155 6.918 2.883 1.00 0.00 N ATOM 354 CZ ARG A 29 9.306 8.206 3.186 1.00 0.00 C ATOM 355 NH1 ARG A 29 8.247 9.002 3.269 1.00 0.00 N ATOM 356 NH2 ARG A 29 10.516 8.698 3.412 1.00 0.00 N ATOM 0 H ARG A 29 6.285 7.160 -1.793 1.00 0.00 H new ATOM 0 HA ARG A 29 4.081 6.477 -0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.214 6.513 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.862 5.202 1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.833 6.579 0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.179 7.925 1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.195 6.458 3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.994 5.215 2.515 1.00 0.00 H new ATOM 0 HE ARG A 29 9.990 6.334 2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.313 8.628 3.100 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.367 9.988 3.501 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.333 8.090 3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.630 9.685 3.644 1.00 0.00 H new ATOM 370 N ARG A 30 3.933 8.941 0.348 1.00 0.00 N ATOM 371 CA ARG A 30 3.813 10.392 0.459 1.00 0.00 C ATOM 372 C ARG A 30 2.681 10.793 1.402 1.00 0.00 C ATOM 373 O ARG A 30 1.578 10.255 1.333 1.00 0.00 O ATOM 374 CB ARG A 30 3.614 11.025 -0.922 1.00 0.00 C ATOM 375 CG ARG A 30 2.321 10.624 -1.613 1.00 0.00 C ATOM 376 CD ARG A 30 2.277 11.158 -3.038 1.00 0.00 C ATOM 377 NE ARG A 30 0.997 10.897 -3.694 1.00 0.00 N ATOM 378 CZ ARG A 30 -0.147 11.477 -3.343 1.00 0.00 C ATOM 379 NH1 ARG A 30 -0.176 12.350 -2.344 1.00 0.00 N ATOM 380 NH2 ARG A 30 -1.265 11.187 -3.995 1.00 0.00 N ATOM 0 H ARG A 30 3.081 8.424 0.566 1.00 0.00 H new ATOM 0 HA ARG A 30 4.744 10.767 0.884 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.635 12.110 -0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.454 10.749 -1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.232 9.538 -1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.470 11.007 -1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.463 12.232 -3.026 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.079 10.702 -3.619 1.00 0.00 H new ATOM 0 HE ARG A 30 0.980 10.231 -4.466 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.682 12.579 -1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.056 12.792 -2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.247 10.519 -4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.142 11.632 -3.726 1.00 0.00 H new ATOM 394 N VAL A 31 2.969 11.751 2.279 1.00 0.00 N ATOM 395 CA VAL A 31 1.986 12.243 3.239 1.00 0.00 C ATOM 396 C VAL A 31 0.959 13.146 2.558 1.00 0.00 C ATOM 397 O VAL A 31 1.283 13.858 1.606 1.00 0.00 O ATOM 398 CB VAL A 31 2.665 13.022 4.383 1.00 0.00 C ATOM 399 CG1 VAL A 31 1.640 13.491 5.403 1.00 0.00 C ATOM 400 CG2 VAL A 31 3.735 12.167 5.046 1.00 0.00 C ATOM 0 H VAL A 31 3.881 12.204 2.344 1.00 0.00 H new ATOM 0 HA VAL A 31 1.479 11.372 3.654 1.00 0.00 H new ATOM 0 HB VAL A 31 3.144 13.905 3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.144 14.038 6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.915 14.144 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.125 12.628 5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.205 12.732 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.279 11.265 5.453 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.489 11.891 4.309 1.00 0.00 H new ATOM 410 N VAL A 32 -0.277 13.117 3.051 1.00 0.00 N ATOM 411 CA VAL A 32 -1.343 13.940 2.485 1.00 0.00 C ATOM 412 C VAL A 32 -2.035 14.756 3.572 1.00 0.00 C ATOM 413 O VAL A 32 -2.476 15.881 3.336 1.00 0.00 O ATOM 414 CB VAL A 32 -2.391 13.084 1.748 1.00 0.00 C ATOM 415 CG1 VAL A 32 -1.764 12.383 0.553 1.00 0.00 C ATOM 416 CG2 VAL A 32 -3.020 12.072 2.695 1.00 0.00 C ATOM 0 H VAL A 32 -0.564 12.535 3.838 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.876 14.614 1.767 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.178 13.745 1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.520 11.783 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.367 13.127 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.956 11.736 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.757 11.478 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.246 11.416 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.508 12.597 3.516 1.00 0.00 H new ATOM 426 N LYS A 33 -2.121 14.174 4.760 1.00 0.00 N ATOM 427 CA LYS A 33 -2.752 14.826 5.901 1.00 0.00 C ATOM 428 C LYS A 33 -2.362 14.109 7.189 1.00 0.00 C ATOM 429 O LYS A 33 -3.216 13.721 7.987 1.00 0.00 O ATOM 430 CB LYS A 33 -4.276 14.834 5.738 1.00 0.00 C ATOM 431 CG LYS A 33 -4.880 13.448 5.563 1.00 0.00 C ATOM 432 CD LYS A 33 -6.398 13.503 5.464 1.00 0.00 C ATOM 433 CE LYS A 33 -7.026 14.034 6.745 1.00 0.00 C ATOM 434 NZ LYS A 33 -8.512 14.087 6.655 1.00 0.00 N ATOM 0 H LYS A 33 -1.758 13.242 4.960 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.406 15.858 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.723 15.308 6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.537 15.446 4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.473 12.985 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.593 12.817 6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.685 14.139 4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.786 12.506 5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.735 13.399 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.639 15.032 6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.901 14.454 7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.790 14.713 5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.884 13.131 6.483 1.00 0.00 H new ATOM 448 N GLY A 34 -1.058 13.922 7.372 1.00 0.00 N ATOM 449 CA GLY A 34 -0.566 13.234 8.547 1.00 0.00 C ATOM 450 C GLY A 34 -0.386 11.753 8.292 1.00 0.00 C ATOM 451 O GLY A 34 0.505 11.119 8.857 1.00 0.00 O ATOM 0 H GLY A 34 -0.334 14.236 6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.386 13.669 8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.263 13.379 9.373 1.00 0.00 H new ATOM 455 N LYS A 35 -1.236 11.204 7.426 1.00 0.00 N ATOM 456 CA LYS A 35 -1.175 9.793 7.077 1.00 0.00 C ATOM 457 C LYS A 35 -0.186 9.553 5.948 1.00 0.00 C ATOM 458 O LYS A 35 -0.041 10.380 5.048 1.00 0.00 O ATOM 459 CB LYS A 35 -2.555 9.282 6.684 1.00 0.00 C ATOM 460 CG LYS A 35 -3.448 9.015 7.878 1.00 0.00 C ATOM 461 CD LYS A 35 -4.790 8.451 7.457 1.00 0.00 C ATOM 462 CE LYS A 35 -5.593 8.007 8.664 1.00 0.00 C ATOM 463 NZ LYS A 35 -4.958 6.853 9.361 1.00 0.00 N ATOM 0 H LYS A 35 -1.977 11.721 6.953 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.832 9.244 7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.036 10.013 6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.446 8.364 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.954 8.316 8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.600 9.940 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.348 9.205 6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.639 7.606 6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.694 8.840 9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.599 7.732 8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.643 6.074 9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.129 6.534 8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.659 7.145 10.313 1.00 0.00 H new ATOM 477 N VAL A 36 0.496 8.416 6.003 1.00 0.00 N ATOM 478 CA VAL A 36 1.477 8.074 4.982 1.00 0.00 C ATOM 479 C VAL A 36 0.961 6.965 4.069 1.00 0.00 C ATOM 480 O VAL A 36 0.915 5.799 4.462 1.00 0.00 O ATOM 481 CB VAL A 36 2.806 7.617 5.611 1.00 0.00 C ATOM 482 CG1 VAL A 36 3.959 7.839 4.646 1.00 0.00 C ATOM 483 CG2 VAL A 36 3.051 8.329 6.932 1.00 0.00 C ATOM 0 H VAL A 36 0.389 7.719 6.740 1.00 0.00 H new ATOM 0 HA VAL A 36 1.647 8.977 4.396 1.00 0.00 H new ATOM 0 HB VAL A 36 2.740 6.548 5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.889 7.510 5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.785 7.268 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.030 8.899 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.995 7.990 7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.094 9.405 6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.239 8.103 7.623 1.00 0.00 H new ATOM 493 N GLU A 37 0.582 7.332 2.850 1.00 0.00 N ATOM 494 CA GLU A 37 0.079 6.364 1.882 1.00 0.00 C ATOM 495 C GLU A 37 1.224 5.785 1.057 1.00 0.00 C ATOM 496 O GLU A 37 2.044 6.522 0.511 1.00 0.00 O ATOM 497 CB GLU A 37 -0.961 7.015 0.970 1.00 0.00 C ATOM 498 CG GLU A 37 -0.439 8.228 0.224 1.00 0.00 C ATOM 499 CD GLU A 37 -1.517 8.923 -0.586 1.00 0.00 C ATOM 500 OE1 GLU A 37 -2.669 8.440 -0.583 1.00 0.00 O ATOM 501 OE2 GLU A 37 -1.209 9.951 -1.223 1.00 0.00 O ATOM 0 H GLU A 37 0.613 8.293 2.509 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.398 5.549 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.311 6.278 0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.823 7.310 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.014 8.934 0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.369 7.921 -0.441 1.00 0.00 H new ATOM 508 N TYR A 38 1.276 4.460 0.977 1.00 0.00 N ATOM 509 CA TYR A 38 2.326 3.781 0.224 1.00 0.00 C ATOM 510 C TYR A 38 1.805 3.196 -1.075 1.00 0.00 C ATOM 511 O TYR A 38 0.793 2.495 -1.099 1.00 0.00 O ATOM 512 CB TYR A 38 2.971 2.679 1.065 1.00 0.00 C ATOM 513 CG TYR A 38 3.933 3.201 2.103 1.00 0.00 C ATOM 514 CD1 TYR A 38 3.536 4.155 3.030 1.00 0.00 C ATOM 515 CD2 TYR A 38 5.244 2.745 2.153 1.00 0.00 C ATOM 516 CE1 TYR A 38 4.414 4.639 3.975 1.00 0.00 C ATOM 517 CE2 TYR A 38 6.130 3.224 3.098 1.00 0.00 C ATOM 518 CZ TYR A 38 5.709 4.171 4.006 1.00 0.00 C ATOM 519 OH TYR A 38 6.589 4.652 4.949 1.00 0.00 O ATOM 0 H TYR A 38 0.605 3.835 1.423 1.00 0.00 H new ATOM 0 HA TYR A 38 3.077 4.532 -0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.188 2.106 1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.499 1.991 0.405 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.521 4.524 3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.576 2.004 1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.088 5.382 4.688 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.146 2.859 3.125 1.00 0.00 H new ATOM 0 HH TYR A 38 6.126 4.752 5.807 1.00 0.00 H new ATOM 529 N LEU A 39 2.526 3.476 -2.152 1.00 0.00 N ATOM 530 CA LEU A 39 2.172 2.970 -3.465 1.00 0.00 C ATOM 531 C LEU A 39 2.286 1.451 -3.458 1.00 0.00 C ATOM 532 O LEU A 39 3.158 0.907 -2.787 1.00 0.00 O ATOM 533 CB LEU A 39 3.094 3.591 -4.519 1.00 0.00 C ATOM 534 CG LEU A 39 2.600 3.491 -5.959 1.00 0.00 C ATOM 535 CD1 LEU A 39 1.147 3.889 -6.029 1.00 0.00 C ATOM 536 CD2 LEU A 39 3.433 4.381 -6.868 1.00 0.00 C ATOM 0 H LEU A 39 3.365 4.056 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 39 1.146 3.241 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.240 4.643 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.070 3.110 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 39 2.704 2.460 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.799 3.816 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.557 3.224 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.034 4.915 -5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.068 4.298 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.353 5.416 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.476 4.067 -6.828 1.00 0.00 H new ATOM 548 N LEU A 40 1.392 0.760 -4.163 1.00 0.00 N ATOM 549 CA LEU A 40 1.415 -0.704 -4.170 1.00 0.00 C ATOM 550 C LEU A 40 0.892 -1.289 -5.479 1.00 0.00 C ATOM 551 O LEU A 40 -0.156 -0.880 -5.979 1.00 0.00 O ATOM 552 CB LEU A 40 0.570 -1.233 -3.006 1.00 0.00 C ATOM 553 CG LEU A 40 1.068 -0.841 -1.614 1.00 0.00 C ATOM 554 CD1 LEU A 40 0.036 -1.154 -0.550 1.00 0.00 C ATOM 555 CD2 LEU A 40 2.355 -1.560 -1.293 1.00 0.00 C ATOM 0 H LEU A 40 0.654 1.180 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 40 2.454 -1.014 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.451 -0.872 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.533 -2.321 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 40 1.244 0.235 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.421 -0.863 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.880 -0.601 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.177 -2.223 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.696 -1.270 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.187 -2.637 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.114 -1.294 -2.029 1.00 0.00 H new ATOM 567 N LYS A 41 1.621 -2.270 -6.014 1.00 0.00 N ATOM 568 CA LYS A 41 1.218 -2.940 -7.248 1.00 0.00 C ATOM 569 C LYS A 41 0.362 -4.160 -6.916 1.00 0.00 C ATOM 570 O LYS A 41 0.627 -4.859 -5.937 1.00 0.00 O ATOM 571 CB LYS A 41 2.447 -3.355 -8.063 1.00 0.00 C ATOM 572 CG LYS A 41 2.104 -4.014 -9.391 1.00 0.00 C ATOM 573 CD LYS A 41 3.352 -4.317 -10.207 1.00 0.00 C ATOM 574 CE LYS A 41 4.083 -3.047 -10.615 1.00 0.00 C ATOM 575 NZ LYS A 41 5.295 -3.341 -11.429 1.00 0.00 N ATOM 0 H LYS A 41 2.492 -2.617 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 41 0.631 -2.246 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.061 -2.475 -8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.050 -4.043 -7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.556 -4.938 -9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.445 -3.360 -9.962 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.021 -4.951 -9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.075 -4.879 -11.099 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.409 -2.407 -11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.371 -2.491 -9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.765 -2.450 -11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.950 -3.930 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.018 -3.849 -12.293 1.00 0.00 H new ATOM 589 N TRP A 42 -0.677 -4.408 -7.712 1.00 0.00 N ATOM 590 CA TRP A 42 -1.567 -5.540 -7.456 1.00 0.00 C ATOM 591 C TRP A 42 -1.707 -6.438 -8.683 1.00 0.00 C ATOM 592 O TRP A 42 -1.858 -5.959 -9.807 1.00 0.00 O ATOM 593 CB TRP A 42 -2.941 -5.031 -7.007 1.00 0.00 C ATOM 594 CG TRP A 42 -2.843 -3.906 -6.022 1.00 0.00 C ATOM 595 CD1 TRP A 42 -2.746 -2.575 -6.312 1.00 0.00 C ATOM 596 CD2 TRP A 42 -2.791 -4.010 -4.593 1.00 0.00 C ATOM 597 NE1 TRP A 42 -2.649 -1.845 -5.153 1.00 0.00 N ATOM 598 CE2 TRP A 42 -2.673 -2.702 -4.085 1.00 0.00 C ATOM 599 CE3 TRP A 42 -2.838 -5.078 -3.692 1.00 0.00 C ATOM 600 CZ2 TRP A 42 -2.597 -2.439 -2.722 1.00 0.00 C ATOM 601 CZ3 TRP A 42 -2.762 -4.810 -2.338 1.00 0.00 C ATOM 602 CH2 TRP A 42 -2.643 -3.500 -1.864 1.00 0.00 C ATOM 0 H TRP A 42 -0.922 -3.849 -8.529 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.126 -6.141 -6.661 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.504 -4.698 -7.879 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.501 -5.853 -6.561 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.746 -2.157 -7.308 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.572 -0.829 -5.097 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.932 -6.094 -4.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.505 -1.428 -2.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.795 -5.628 -1.633 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.586 -3.324 -0.800 1.00 0.00 H new ATOM 613 N LYS A 43 -1.649 -7.749 -8.448 1.00 0.00 N ATOM 614 CA LYS A 43 -1.762 -8.740 -9.515 1.00 0.00 C ATOM 615 C LYS A 43 -3.097 -8.626 -10.245 1.00 0.00 C ATOM 616 O LYS A 43 -4.117 -8.284 -9.646 1.00 0.00 O ATOM 617 CB LYS A 43 -1.609 -10.151 -8.945 1.00 0.00 C ATOM 618 CG LYS A 43 -2.688 -10.518 -7.938 1.00 0.00 C ATOM 619 CD LYS A 43 -2.546 -11.952 -7.439 1.00 0.00 C ATOM 620 CE LYS A 43 -2.869 -12.974 -8.522 1.00 0.00 C ATOM 621 NZ LYS A 43 -1.876 -12.959 -9.633 1.00 0.00 N ATOM 0 H LYS A 43 -1.523 -8.151 -7.519 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.963 -8.546 -10.231 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.628 -10.870 -9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.633 -10.238 -8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.640 -9.834 -7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.669 -10.390 -8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.528 -12.112 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.209 -12.106 -6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.900 -13.970 -8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.862 -12.772 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.741 -13.926 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.224 -12.350 -10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.969 -12.590 -9.283 1.00 0.00 H new ATOM 635 N GLY A 44 -3.079 -8.924 -11.542 1.00 0.00 N ATOM 636 CA GLY A 44 -4.288 -8.859 -12.343 1.00 0.00 C ATOM 637 C GLY A 44 -4.642 -7.442 -12.750 1.00 0.00 C ATOM 638 O GLY A 44 -4.836 -7.161 -13.934 1.00 0.00 O ATOM 0 H GLY A 44 -2.244 -9.210 -12.053 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.160 -9.469 -13.237 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.116 -9.289 -11.780 1.00 0.00 H new ATOM 642 N PHE A 45 -4.720 -6.549 -11.772 1.00 0.00 N ATOM 643 CA PHE A 45 -5.047 -5.153 -12.036 1.00 0.00 C ATOM 644 C PHE A 45 -3.917 -4.473 -12.801 1.00 0.00 C ATOM 645 O PHE A 45 -2.740 -4.724 -12.539 1.00 0.00 O ATOM 646 CB PHE A 45 -5.321 -4.405 -10.726 1.00 0.00 C ATOM 647 CG PHE A 45 -6.568 -4.855 -10.010 1.00 0.00 C ATOM 648 CD1 PHE A 45 -6.805 -6.199 -9.763 1.00 0.00 C ATOM 649 CD2 PHE A 45 -7.503 -3.926 -9.578 1.00 0.00 C ATOM 650 CE1 PHE A 45 -7.949 -6.607 -9.103 1.00 0.00 C ATOM 651 CE2 PHE A 45 -8.648 -4.328 -8.917 1.00 0.00 C ATOM 652 CZ PHE A 45 -8.871 -5.670 -8.680 1.00 0.00 C ATOM 0 H PHE A 45 -4.561 -6.766 -10.788 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.949 -5.126 -12.648 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.467 -4.534 -10.061 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.402 -3.339 -10.939 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.087 -6.936 -10.090 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.334 -2.875 -9.761 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.121 -7.657 -8.918 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.367 -3.594 -8.586 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.766 -5.986 -8.164 1.00 0.00 H new ATOM 662 N SER A 46 -4.285 -3.615 -13.748 1.00 0.00 N ATOM 663 CA SER A 46 -3.306 -2.897 -14.558 1.00 0.00 C ATOM 664 C SER A 46 -2.263 -2.215 -13.676 1.00 0.00 C ATOM 665 O SER A 46 -2.583 -1.718 -12.597 1.00 0.00 O ATOM 666 CB SER A 46 -4.004 -1.856 -15.434 1.00 0.00 C ATOM 667 OG SER A 46 -3.069 -1.159 -16.239 1.00 0.00 O ATOM 0 H SER A 46 -5.256 -3.400 -13.974 1.00 0.00 H new ATOM 0 HA SER A 46 -2.800 -3.621 -15.196 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.742 -2.346 -16.069 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.545 -1.150 -14.804 1.00 0.00 H new ATOM 0 HG SER A 46 -2.681 -0.420 -15.725 1.00 0.00 H new ATOM 673 N ASP A 47 -1.018 -2.202 -14.142 1.00 0.00 N ATOM 674 CA ASP A 47 0.073 -1.585 -13.395 1.00 0.00 C ATOM 675 C ASP A 47 -0.275 -0.150 -13.012 1.00 0.00 C ATOM 676 O ASP A 47 -0.072 0.264 -11.875 1.00 0.00 O ATOM 677 CB ASP A 47 1.360 -1.608 -14.225 1.00 0.00 C ATOM 678 CG ASP A 47 2.558 -1.069 -13.467 1.00 0.00 C ATOM 679 OD1 ASP A 47 2.405 -0.722 -12.277 1.00 0.00 O ATOM 680 OD2 ASP A 47 3.654 -0.999 -14.062 1.00 0.00 O ATOM 0 H ASP A 47 -0.739 -2.612 -15.034 1.00 0.00 H new ATOM 0 HA ASP A 47 0.227 -2.158 -12.481 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.565 -2.631 -14.540 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.214 -1.019 -15.130 1.00 0.00 H new ATOM 685 N GLU A 48 -0.805 0.601 -13.970 1.00 0.00 N ATOM 686 CA GLU A 48 -1.183 1.988 -13.741 1.00 0.00 C ATOM 687 C GLU A 48 -2.211 2.109 -12.617 1.00 0.00 C ATOM 688 O GLU A 48 -2.319 3.156 -11.978 1.00 0.00 O ATOM 689 CB GLU A 48 -1.744 2.600 -15.024 1.00 0.00 C ATOM 690 CG GLU A 48 -0.731 2.699 -16.155 1.00 0.00 C ATOM 691 CD GLU A 48 -0.279 1.343 -16.662 1.00 0.00 C ATOM 692 OE1 GLU A 48 -1.137 0.573 -17.141 1.00 0.00 O ATOM 693 OE2 GLU A 48 0.932 1.051 -16.575 1.00 0.00 O ATOM 0 H GLU A 48 -0.983 0.269 -14.918 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.287 2.531 -13.441 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.591 2.002 -15.360 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.125 3.597 -14.803 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.168 3.262 -16.979 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.137 3.260 -15.810 1.00 0.00 H new ATOM 700 N ASP A 49 -2.977 1.044 -12.399 1.00 0.00 N ATOM 701 CA ASP A 49 -4.010 1.034 -11.370 1.00 0.00 C ATOM 702 C ASP A 49 -3.429 0.941 -9.956 1.00 0.00 C ATOM 703 O ASP A 49 -4.036 0.332 -9.073 1.00 0.00 O ATOM 704 CB ASP A 49 -4.968 -0.133 -11.613 1.00 0.00 C ATOM 705 CG ASP A 49 -5.681 -0.035 -12.948 1.00 0.00 C ATOM 706 OD1 ASP A 49 -5.423 0.935 -13.692 1.00 0.00 O ATOM 707 OD2 ASP A 49 -6.499 -0.929 -13.250 1.00 0.00 O ATOM 0 H ASP A 49 -2.900 0.173 -12.924 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.545 1.981 -11.438 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.412 -1.069 -11.570 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.707 -0.164 -10.812 1.00 0.00 H new ATOM 712 N ASN A 50 -2.270 1.557 -9.732 1.00 0.00 N ATOM 713 CA ASN A 50 -1.649 1.547 -8.409 1.00 0.00 C ATOM 714 C ASN A 50 -2.414 2.460 -7.457 1.00 0.00 C ATOM 715 O ASN A 50 -2.880 3.529 -7.856 1.00 0.00 O ATOM 716 CB ASN A 50 -0.184 1.981 -8.487 1.00 0.00 C ATOM 717 CG ASN A 50 0.701 0.935 -9.139 1.00 0.00 C ATOM 718 OD1 ASN A 50 0.722 -0.222 -8.720 1.00 0.00 O ATOM 719 ND2 ASN A 50 1.446 1.340 -10.160 1.00 0.00 N ATOM 0 H ASN A 50 -1.745 2.066 -10.443 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.685 0.526 -8.028 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.114 2.912 -9.049 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.184 2.187 -7.482 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.068 0.682 -10.630 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.397 2.309 -10.474 1.00 0.00 H new ATOM 726 N THR A 51 -2.553 2.036 -6.204 1.00 0.00 N ATOM 727 CA THR A 51 -3.279 2.827 -5.215 1.00 0.00 C ATOM 728 C THR A 51 -2.476 3.009 -3.932 1.00 0.00 C ATOM 729 O THR A 51 -2.006 2.037 -3.339 1.00 0.00 O ATOM 730 CB THR A 51 -4.622 2.170 -4.848 1.00 0.00 C ATOM 731 OG1 THR A 51 -4.388 0.929 -4.173 1.00 0.00 O ATOM 732 CG2 THR A 51 -5.463 1.919 -6.087 1.00 0.00 C ATOM 0 H THR A 51 -2.176 1.156 -5.851 1.00 0.00 H new ATOM 0 HA THR A 51 -3.453 3.799 -5.676 1.00 0.00 H new ATOM 0 HB THR A 51 -5.164 2.851 -4.192 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.547 0.982 -3.673 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.406 1.454 -5.799 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.663 2.866 -6.589 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.924 1.256 -6.764 1.00 0.00 H new ATOM 740 N TRP A 52 -2.345 4.258 -3.498 1.00 0.00 N ATOM 741 CA TRP A 52 -1.627 4.568 -2.275 1.00 0.00 C ATOM 742 C TRP A 52 -2.535 4.327 -1.074 1.00 0.00 C ATOM 743 O TRP A 52 -3.492 5.068 -0.853 1.00 0.00 O ATOM 744 CB TRP A 52 -1.159 6.021 -2.293 1.00 0.00 C ATOM 745 CG TRP A 52 -0.390 6.392 -3.525 1.00 0.00 C ATOM 746 CD1 TRP A 52 -0.832 6.358 -4.818 1.00 0.00 C ATOM 747 CD2 TRP A 52 0.962 6.847 -3.575 1.00 0.00 C ATOM 748 NE1 TRP A 52 0.169 6.763 -5.667 1.00 0.00 N ATOM 749 CE2 TRP A 52 1.279 7.074 -4.928 1.00 0.00 C ATOM 750 CE3 TRP A 52 1.933 7.087 -2.607 1.00 0.00 C ATOM 751 CZ2 TRP A 52 2.531 7.530 -5.331 1.00 0.00 C ATOM 752 CZ3 TRP A 52 3.173 7.538 -3.005 1.00 0.00 C ATOM 753 CH2 TRP A 52 3.463 7.758 -4.357 1.00 0.00 C ATOM 0 H TRP A 52 -2.729 5.071 -3.979 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.753 3.921 -2.201 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.027 6.674 -2.207 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.535 6.203 -1.418 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.822 6.057 -5.127 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.097 6.822 -6.683 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.718 6.923 -1.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.758 7.697 -6.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.934 7.725 -2.262 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.443 8.115 -4.636 1.00 0.00 H new ATOM 764 N GLU A 53 -2.242 3.281 -0.315 1.00 0.00 N ATOM 765 CA GLU A 53 -3.049 2.934 0.849 1.00 0.00 C ATOM 766 C GLU A 53 -2.387 3.400 2.143 1.00 0.00 C ATOM 767 O GLU A 53 -1.162 3.469 2.227 1.00 0.00 O ATOM 768 CB GLU A 53 -3.268 1.424 0.896 1.00 0.00 C ATOM 769 CG GLU A 53 -3.651 0.827 -0.446 1.00 0.00 C ATOM 770 CD GLU A 53 -3.825 -0.675 -0.380 1.00 0.00 C ATOM 771 OE1 GLU A 53 -2.935 -1.350 0.179 1.00 0.00 O ATOM 772 OE2 GLU A 53 -4.840 -1.178 -0.901 1.00 0.00 O ATOM 0 H GLU A 53 -1.452 2.657 -0.483 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.009 3.442 0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.357 0.943 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.051 1.200 1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.579 1.283 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.883 1.069 -1.181 1.00 0.00 H new ATOM 779 N PRO A 54 -3.190 3.720 3.177 1.00 0.00 N ATOM 780 CA PRO A 54 -2.659 4.169 4.466 1.00 0.00 C ATOM 781 C PRO A 54 -1.668 3.170 5.045 1.00 0.00 C ATOM 782 O PRO A 54 -1.900 1.961 5.008 1.00 0.00 O ATOM 783 CB PRO A 54 -3.896 4.264 5.361 1.00 0.00 C ATOM 784 CG PRO A 54 -5.046 4.400 4.426 1.00 0.00 C ATOM 785 CD PRO A 54 -4.663 3.659 3.175 1.00 0.00 C ATOM 0 HA PRO A 54 -2.116 5.110 4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.999 3.376 5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.831 5.120 6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.953 3.983 4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.249 5.449 4.210 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -5.022 2.630 3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.083 4.129 2.286 1.00 0.00 H new ATOM 793 N GLU A 55 -0.562 3.678 5.574 1.00 0.00 N ATOM 794 CA GLU A 55 0.469 2.827 6.155 1.00 0.00 C ATOM 795 C GLU A 55 -0.120 1.916 7.229 1.00 0.00 C ATOM 796 O GLU A 55 0.246 0.744 7.329 1.00 0.00 O ATOM 797 CB GLU A 55 1.598 3.683 6.740 1.00 0.00 C ATOM 798 CG GLU A 55 2.713 2.872 7.378 1.00 0.00 C ATOM 799 CD GLU A 55 3.793 3.744 7.988 1.00 0.00 C ATOM 800 OE1 GLU A 55 4.400 4.543 7.244 1.00 0.00 O ATOM 801 OE2 GLU A 55 4.031 3.626 9.208 1.00 0.00 O ATOM 0 H GLU A 55 -0.356 4.676 5.613 1.00 0.00 H new ATOM 0 HA GLU A 55 0.880 2.199 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.019 4.303 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.180 4.359 7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.292 2.228 8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.159 2.220 6.627 1.00 0.00 H new ATOM 808 N GLU A 56 -1.036 2.458 8.028 1.00 0.00 N ATOM 809 CA GLU A 56 -1.676 1.686 9.088 1.00 0.00 C ATOM 810 C GLU A 56 -2.512 0.551 8.503 1.00 0.00 C ATOM 811 O GLU A 56 -2.462 -0.581 8.983 1.00 0.00 O ATOM 812 CB GLU A 56 -2.561 2.585 9.956 1.00 0.00 C ATOM 813 CG GLU A 56 -1.794 3.652 10.723 1.00 0.00 C ATOM 814 CD GLU A 56 -1.149 4.680 9.815 1.00 0.00 C ATOM 815 OE1 GLU A 56 -1.886 5.365 9.074 1.00 0.00 O ATOM 816 OE2 GLU A 56 0.094 4.801 9.842 1.00 0.00 O ATOM 0 H GLU A 56 -1.350 3.426 7.961 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.889 1.259 9.710 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.302 3.070 9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.107 1.964 10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.472 4.157 11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.023 3.174 11.328 1.00 0.00 H new ATOM 823 N ASN A 57 -3.282 0.867 7.465 1.00 0.00 N ATOM 824 CA ASN A 57 -4.136 -0.119 6.811 1.00 0.00 C ATOM 825 C ASN A 57 -3.327 -1.293 6.266 1.00 0.00 C ATOM 826 O ASN A 57 -3.805 -2.429 6.249 1.00 0.00 O ATOM 827 CB ASN A 57 -4.923 0.532 5.673 1.00 0.00 C ATOM 828 CG ASN A 57 -5.952 1.529 6.169 1.00 0.00 C ATOM 829 OD1 ASN A 57 -5.635 2.439 6.933 1.00 0.00 O ATOM 830 ND2 ASN A 57 -7.193 1.363 5.728 1.00 0.00 N ATOM 0 H ASN A 57 -3.332 1.801 7.058 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.827 -0.501 7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.230 1.036 4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.424 -0.243 5.093 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.929 2.005 6.022 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.411 0.594 5.095 1.00 0.00 H new ATOM 837 N LEU A 58 -2.112 -1.015 5.800 1.00 0.00 N ATOM 838 CA LEU A 58 -1.262 -2.057 5.232 1.00 0.00 C ATOM 839 C LEU A 58 -0.976 -3.163 6.243 1.00 0.00 C ATOM 840 O LEU A 58 -0.520 -2.903 7.355 1.00 0.00 O ATOM 841 CB LEU A 58 0.066 -1.474 4.731 1.00 0.00 C ATOM 842 CG LEU A 58 -0.036 -0.226 3.845 1.00 0.00 C ATOM 843 CD1 LEU A 58 1.225 -0.068 3.012 1.00 0.00 C ATOM 844 CD2 LEU A 58 -1.258 -0.280 2.943 1.00 0.00 C ATOM 0 H LEU A 58 -1.696 -0.084 5.804 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.808 -2.485 4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.682 -1.231 5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.592 -2.249 4.173 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.143 0.639 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.140 0.821 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.087 0.033 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.355 -0.945 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.298 0.620 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.195 -1.156 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.159 -0.343 3.554 1.00 0.00 H new ATOM 856 N ASP A 59 -1.232 -4.399 5.830 1.00 0.00 N ATOM 857 CA ASP A 59 -0.989 -5.560 6.673 1.00 0.00 C ATOM 858 C ASP A 59 0.301 -6.246 6.229 1.00 0.00 C ATOM 859 O ASP A 59 0.332 -7.453 5.997 1.00 0.00 O ATOM 860 CB ASP A 59 -2.167 -6.538 6.590 1.00 0.00 C ATOM 861 CG ASP A 59 -2.149 -7.573 7.700 1.00 0.00 C ATOM 862 OD1 ASP A 59 -1.177 -8.353 7.774 1.00 0.00 O ATOM 863 OD2 ASP A 59 -3.110 -7.601 8.498 1.00 0.00 O ATOM 0 H ASP A 59 -1.610 -4.622 4.909 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.888 -5.236 7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.102 -5.979 6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.145 -7.045 5.626 1.00 0.00 H new ATOM 868 N CYS A 60 1.361 -5.453 6.088 1.00 0.00 N ATOM 869 CA CYS A 60 2.649 -5.974 5.646 1.00 0.00 C ATOM 870 C CYS A 60 3.783 -4.994 5.951 1.00 0.00 C ATOM 871 O CYS A 60 4.418 -4.463 5.038 1.00 0.00 O ATOM 872 CB CYS A 60 2.604 -6.269 4.147 1.00 0.00 C ATOM 873 SG CYS A 60 2.142 -4.848 3.126 1.00 0.00 S ATOM 0 H CYS A 60 1.352 -4.450 6.273 1.00 0.00 H new ATOM 0 HA CYS A 60 2.845 -6.896 6.194 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.583 -6.628 3.829 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.895 -7.077 3.968 1.00 0.00 H new ATOM 0 HG CYS A 60 2.941 -3.854 3.378 1.00 0.00 H new ATOM 879 N PRO A 61 4.063 -4.747 7.245 1.00 0.00 N ATOM 880 CA PRO A 61 5.133 -3.834 7.666 1.00 0.00 C ATOM 881 C PRO A 61 6.474 -4.193 7.037 1.00 0.00 C ATOM 882 O PRO A 61 7.334 -3.331 6.850 1.00 0.00 O ATOM 883 CB PRO A 61 5.193 -4.008 9.191 1.00 0.00 C ATOM 884 CG PRO A 61 4.405 -5.240 9.485 1.00 0.00 C ATOM 885 CD PRO A 61 3.374 -5.341 8.400 1.00 0.00 C ATOM 0 HA PRO A 61 4.932 -2.808 7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.223 -4.110 9.534 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.772 -3.142 9.701 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.047 -6.121 9.496 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.934 -5.177 10.466 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.084 -6.375 8.211 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.464 -4.796 8.653 1.00 0.00 H new ATOM 893 N ASP A 62 6.644 -5.472 6.714 1.00 0.00 N ATOM 894 CA ASP A 62 7.880 -5.954 6.107 1.00 0.00 C ATOM 895 C ASP A 62 8.237 -5.143 4.864 1.00 0.00 C ATOM 896 O ASP A 62 9.382 -4.726 4.696 1.00 0.00 O ATOM 897 CB ASP A 62 7.750 -7.433 5.741 1.00 0.00 C ATOM 898 CG ASP A 62 7.456 -8.303 6.947 1.00 0.00 C ATOM 899 OD1 ASP A 62 8.284 -8.320 7.883 1.00 0.00 O ATOM 900 OD2 ASP A 62 6.398 -8.967 6.957 1.00 0.00 O ATOM 0 H ASP A 62 5.939 -6.194 6.863 1.00 0.00 H new ATOM 0 HA ASP A 62 8.680 -5.833 6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.954 -7.554 5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.673 -7.770 5.269 1.00 0.00 H new ATOM 905 N LEU A 63 7.252 -4.924 3.994 1.00 0.00 N ATOM 906 CA LEU A 63 7.476 -4.162 2.767 1.00 0.00 C ATOM 907 C LEU A 63 7.904 -2.734 3.075 1.00 0.00 C ATOM 908 O LEU A 63 8.831 -2.213 2.459 1.00 0.00 O ATOM 909 CB LEU A 63 6.215 -4.135 1.904 1.00 0.00 C ATOM 910 CG LEU A 63 5.696 -5.497 1.444 1.00 0.00 C ATOM 911 CD1 LEU A 63 4.514 -5.316 0.512 1.00 0.00 C ATOM 912 CD2 LEU A 63 6.793 -6.299 0.760 1.00 0.00 C ATOM 0 H LEU A 63 6.297 -5.261 4.115 1.00 0.00 H new ATOM 0 HA LEU A 63 8.276 -4.660 2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.424 -3.636 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.414 -3.526 1.022 1.00 0.00 H new ATOM 0 HG LEU A 63 5.372 -6.054 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.152 -6.292 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.717 -4.787 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.823 -4.738 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.395 -7.263 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.155 -5.752 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.616 -6.457 1.457 1.00 0.00 H new ATOM 924 N ILE A 64 7.219 -2.105 4.026 1.00 0.00 N ATOM 925 CA ILE A 64 7.533 -0.733 4.407 1.00 0.00 C ATOM 926 C ILE A 64 9.015 -0.596 4.731 1.00 0.00 C ATOM 927 O ILE A 64 9.678 0.336 4.280 1.00 0.00 O ATOM 928 CB ILE A 64 6.699 -0.264 5.623 1.00 0.00 C ATOM 929 CG1 ILE A 64 5.223 -0.094 5.242 1.00 0.00 C ATOM 930 CG2 ILE A 64 7.252 1.040 6.181 1.00 0.00 C ATOM 931 CD1 ILE A 64 4.521 -1.387 4.894 1.00 0.00 C ATOM 0 H ILE A 64 6.446 -2.522 4.545 1.00 0.00 H new ATOM 0 HA ILE A 64 7.281 -0.101 3.556 1.00 0.00 H new ATOM 0 HB ILE A 64 6.768 -1.031 6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.697 0.380 6.071 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.154 0.584 4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.652 1.354 7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 64 8.284 0.892 6.497 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.216 1.810 5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.482 -1.179 4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.019 -1.854 4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.555 -2.061 5.750 1.00 0.00 H new ATOM 943 N ALA A 65 9.529 -1.540 5.509 1.00 0.00 N ATOM 944 CA ALA A 65 10.934 -1.537 5.890 1.00 0.00 C ATOM 945 C ALA A 65 11.828 -1.826 4.687 1.00 0.00 C ATOM 946 O ALA A 65 12.871 -1.198 4.514 1.00 0.00 O ATOM 947 CB ALA A 65 11.177 -2.555 6.995 1.00 0.00 C ATOM 0 H ALA A 65 8.992 -2.319 5.889 1.00 0.00 H new ATOM 0 HA ALA A 65 11.187 -0.545 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.231 -2.545 7.273 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.570 -2.301 7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.904 -3.549 6.640 1.00 0.00 H new ATOM 953 N GLU A 66 11.407 -2.781 3.861 1.00 0.00 N ATOM 954 CA GLU A 66 12.163 -3.166 2.670 1.00 0.00 C ATOM 955 C GLU A 66 12.346 -1.992 1.711 1.00 0.00 C ATOM 956 O GLU A 66 13.415 -1.822 1.124 1.00 0.00 O ATOM 957 CB GLU A 66 11.461 -4.325 1.952 1.00 0.00 C ATOM 958 CG GLU A 66 11.524 -5.637 2.717 1.00 0.00 C ATOM 959 CD GLU A 66 10.900 -6.787 1.952 1.00 0.00 C ATOM 960 OE1 GLU A 66 9.695 -6.704 1.635 1.00 0.00 O ATOM 961 OE2 GLU A 66 11.617 -7.769 1.666 1.00 0.00 O ATOM 0 H GLU A 66 10.542 -3.305 3.995 1.00 0.00 H new ATOM 0 HA GLU A 66 13.153 -3.486 2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.417 -4.060 1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.915 -4.463 0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.564 -5.875 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.013 -5.521 3.673 1.00 0.00 H new ATOM 968 N PHE A 67 11.299 -1.191 1.551 1.00 0.00 N ATOM 969 CA PHE A 67 11.340 -0.038 0.657 1.00 0.00 C ATOM 970 C PHE A 67 12.261 1.055 1.195 1.00 0.00 C ATOM 971 O PHE A 67 13.063 1.622 0.454 1.00 0.00 O ATOM 972 CB PHE A 67 9.923 0.508 0.452 1.00 0.00 C ATOM 973 CG PHE A 67 9.872 1.908 -0.088 1.00 0.00 C ATOM 974 CD1 PHE A 67 10.393 2.215 -1.335 1.00 0.00 C ATOM 975 CD2 PHE A 67 9.299 2.920 0.663 1.00 0.00 C ATOM 976 CE1 PHE A 67 10.343 3.508 -1.821 1.00 0.00 C ATOM 977 CE2 PHE A 67 9.245 4.212 0.185 1.00 0.00 C ATOM 978 CZ PHE A 67 9.767 4.509 -1.060 1.00 0.00 C ATOM 0 H PHE A 67 10.408 -1.319 2.030 1.00 0.00 H new ATOM 0 HA PHE A 67 11.744 -0.363 -0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.387 -0.152 -0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.394 0.479 1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.843 1.436 -1.933 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.889 2.694 1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.753 3.736 -2.794 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.795 4.991 0.783 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.725 5.520 -1.437 1.00 0.00 H new ATOM 988 N LEU A 68 12.130 1.354 2.482 1.00 0.00 N ATOM 989 CA LEU A 68 12.937 2.389 3.117 1.00 0.00 C ATOM 990 C LEU A 68 14.423 2.043 3.102 1.00 0.00 C ATOM 991 O LEU A 68 15.269 2.927 3.239 1.00 0.00 O ATOM 992 CB LEU A 68 12.458 2.613 4.548 1.00 0.00 C ATOM 993 CG LEU A 68 10.982 2.992 4.671 1.00 0.00 C ATOM 994 CD1 LEU A 68 10.592 3.152 6.126 1.00 0.00 C ATOM 995 CD2 LEU A 68 10.690 4.266 3.893 1.00 0.00 C ATOM 0 H LEU A 68 11.470 0.893 3.108 1.00 0.00 H new ATOM 0 HA LEU A 68 12.813 3.308 2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 68 12.636 1.705 5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.061 3.400 5.000 1.00 0.00 H new ATOM 0 HG LEU A 68 10.384 2.187 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.538 3.422 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.760 2.213 6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.197 3.937 6.581 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.635 4.519 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.298 5.081 4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.928 4.112 2.841 1.00 0.00 H new ATOM 1007 N GLN A 69 14.738 0.759 2.940 1.00 0.00 N ATOM 1008 CA GLN A 69 16.130 0.314 2.912 1.00 0.00 C ATOM 1009 C GLN A 69 16.955 1.173 1.962 1.00 0.00 C ATOM 1010 O GLN A 69 18.072 1.576 2.289 1.00 0.00 O ATOM 1011 CB GLN A 69 16.221 -1.156 2.489 1.00 0.00 C ATOM 1012 CG GLN A 69 15.532 -2.116 3.446 1.00 0.00 C ATOM 1013 CD GLN A 69 16.176 -2.164 4.823 1.00 0.00 C ATOM 1014 OE1 GLN A 69 15.670 -2.827 5.728 1.00 0.00 O ATOM 1015 NE2 GLN A 69 17.302 -1.474 4.991 1.00 0.00 N ATOM 0 H GLN A 69 14.052 0.012 2.827 1.00 0.00 H new ATOM 0 HA GLN A 69 16.532 0.418 3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.780 -1.267 1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 69 17.271 -1.435 2.403 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.487 -1.824 3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 69 15.541 -3.117 3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 69 17.691 -0.936 4.217 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.776 -1.483 5.894 1.00 0.00 H new ATOM 1024 N SER A 70 16.395 1.461 0.790 1.00 0.00 N ATOM 1025 CA SER A 70 17.080 2.285 -0.197 1.00 0.00 C ATOM 1026 C SER A 70 17.445 3.631 0.415 1.00 0.00 C ATOM 1027 O SER A 70 18.578 4.097 0.295 1.00 0.00 O ATOM 1028 CB SER A 70 16.196 2.489 -1.428 1.00 0.00 C ATOM 1029 OG SER A 70 15.880 1.252 -2.039 1.00 0.00 O ATOM 0 H SER A 70 15.472 1.136 0.503 1.00 0.00 H new ATOM 0 HA SER A 70 17.992 1.775 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.278 3.001 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.707 3.132 -2.144 1.00 0.00 H new ATOM 0 HG SER A 70 15.313 1.410 -2.822 1.00 0.00 H new ATOM 1035 N GLN A 71 16.475 4.242 1.089 1.00 0.00 N ATOM 1036 CA GLN A 71 16.688 5.526 1.743 1.00 0.00 C ATOM 1037 C GLN A 71 17.496 5.340 3.029 1.00 0.00 C ATOM 1038 O GLN A 71 18.565 4.730 3.005 1.00 0.00 O ATOM 1039 CB GLN A 71 15.348 6.204 2.038 1.00 0.00 C ATOM 1040 CG GLN A 71 14.563 6.561 0.787 1.00 0.00 C ATOM 1041 CD GLN A 71 13.263 7.272 1.101 1.00 0.00 C ATOM 1042 OE1 GLN A 71 13.258 8.342 1.709 1.00 0.00 O ATOM 1043 NE2 GLN A 71 12.151 6.680 0.687 1.00 0.00 N ATOM 0 H GLN A 71 15.533 3.867 1.196 1.00 0.00 H new ATOM 0 HA GLN A 71 17.256 6.170 1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.744 5.543 2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.528 7.110 2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.175 7.196 0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 71 14.350 5.652 0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.202 5.793 0.186 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.245 7.112 0.869 1.00 0.00 H new ATOM 1270 N GLN B 5 2.486 -10.684 2.202 1.00 0.00 N ATOM 1271 CA GLN B 5 2.058 -9.290 2.115 1.00 0.00 C ATOM 1272 C GLN B 5 0.773 -9.160 1.297 1.00 0.00 C ATOM 1273 O GLN B 5 0.617 -9.814 0.265 1.00 0.00 O ATOM 1274 CB GLN B 5 3.168 -8.433 1.499 1.00 0.00 C ATOM 1275 CG GLN B 5 4.457 -8.421 2.311 1.00 0.00 C ATOM 1276 CD GLN B 5 5.127 -9.780 2.389 1.00 0.00 C ATOM 1277 OE1 GLN B 5 5.514 -10.354 1.371 1.00 0.00 O ATOM 1278 NE2 GLN B 5 5.266 -10.300 3.602 1.00 0.00 N ATOM 0 HA GLN B 5 1.854 -8.934 3.125 1.00 0.00 H new ATOM 0 HB2 GLN B 5 3.385 -8.801 0.496 1.00 0.00 H new ATOM 0 HB3 GLN B 5 2.807 -7.410 1.392 1.00 0.00 H new ATOM 0 HG2 GLN B 5 5.151 -7.706 1.869 1.00 0.00 H new ATOM 0 HG3 GLN B 5 4.240 -8.072 3.320 1.00 0.00 H new ATOM 0 HE21 GLN B 5 4.930 -9.788 4.418 1.00 0.00 H new ATOM 0 HE22 GLN B 5 5.709 -11.211 3.718 1.00 0.00 H new ATOM 1287 N THR B 6 -0.155 -8.327 1.767 1.00 0.00 N ATOM 1288 CA THR B 6 -1.428 -8.139 1.075 1.00 0.00 C ATOM 1289 C THR B 6 -2.007 -6.743 1.280 1.00 0.00 C ATOM 1290 O THR B 6 -2.647 -6.196 0.385 1.00 0.00 O ATOM 1291 CB THR B 6 -2.476 -9.172 1.538 1.00 0.00 C ATOM 1292 OG1 THR B 6 -2.567 -9.172 2.968 1.00 0.00 O ATOM 1293 CG2 THR B 6 -2.121 -10.564 1.045 1.00 0.00 C ATOM 0 H THR B 6 -0.050 -7.775 2.618 1.00 0.00 H new ATOM 0 HA THR B 6 -1.209 -8.275 0.016 1.00 0.00 H new ATOM 0 HB THR B 6 -3.440 -8.892 1.114 1.00 0.00 H new ATOM 0 HG1 THR B 6 -2.646 -10.094 3.291 1.00 0.00 H new ATOM 0 HG21 THR B 6 -2.875 -11.274 1.385 1.00 0.00 H new ATOM 0 HG22 THR B 6 -2.085 -10.566 -0.044 1.00 0.00 H new ATOM 0 HG23 THR B 6 -1.147 -10.853 1.440 1.00 0.00 H new ATOM 1301 N ALA B 7 -1.813 -6.176 2.464 1.00 0.00 N ATOM 1302 CA ALA B 7 -2.357 -4.857 2.760 1.00 0.00 C ATOM 1303 C ALA B 7 -3.877 -4.890 2.627 1.00 0.00 C ATOM 1304 O ALA B 7 -4.488 -5.944 2.799 1.00 0.00 O ATOM 1305 CB ALA B 7 -1.751 -3.807 1.833 1.00 0.00 C ATOM 0 H ALA B 7 -1.289 -6.603 3.228 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.100 -4.585 3.784 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -2.169 -2.828 2.069 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -0.670 -3.782 1.969 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -1.981 -4.060 0.798 1.00 0.00 H new ATOM 1311 N ARG B 8 -4.486 -3.747 2.307 1.00 0.00 N ATOM 1312 CA ARG B 8 -5.940 -3.676 2.146 1.00 0.00 C ATOM 1313 C ARG B 8 -6.346 -2.484 1.287 1.00 0.00 C ATOM 1314 O ARG B 8 -5.877 -1.365 1.495 1.00 0.00 O ATOM 1315 CB ARG B 8 -6.635 -3.579 3.509 1.00 0.00 C ATOM 1316 CG ARG B 8 -6.567 -4.856 4.331 1.00 0.00 C ATOM 1317 CD ARG B 8 -7.243 -4.691 5.683 1.00 0.00 C ATOM 1318 NE ARG B 8 -6.627 -3.630 6.474 1.00 0.00 N ATOM 1319 CZ ARG B 8 -7.000 -3.321 7.711 1.00 0.00 C ATOM 1320 NH1 ARG B 8 -7.974 -4.000 8.303 1.00 0.00 N ATOM 1321 NH2 ARG B 8 -6.396 -2.334 8.359 1.00 0.00 N ATOM 0 H ARG B 8 -4.000 -2.863 2.155 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.254 -4.592 1.645 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.182 -2.768 4.079 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -7.681 -3.314 3.354 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -7.044 -5.668 3.782 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -5.525 -5.140 4.477 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -8.300 -4.467 5.536 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -7.190 -5.631 6.232 1.00 0.00 H new ATOM 0 HE ARG B 8 -5.867 -3.096 6.053 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -8.439 -4.762 7.808 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -8.258 -3.761 9.253 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -5.645 -1.812 7.908 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -6.683 -2.097 9.309 1.00 0.00 H new