USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 631 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 82 ASN : amide:sc= -1.48 X(o=-2.8,f=-2.4) USER MOD Set 1.2: A 84 SER OG : rot 87:sc= -1.37 USER MOD Single : A 18 THR OG1 : rot -5:sc= 0.619 USER MOD Single : A 27 THR OG1 : rot 90:sc= 1.19 USER MOD Single : A 28 SER OG : rot 66:sc= -0.0563 USER MOD Single : A 29 THR OG1 : rot 94:sc= 0.792 USER MOD Single : A 31 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 35 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.14) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0537 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 65 ASN : amide:sc= -4.1! C(o=-4.1!,f=-8.6!) USER MOD Single : A 68 THR OG1 : rot -83:sc= 0.856 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00281 USER MOD Single : A 80 HIS : no HD1:sc= -16.1! C(o=-16!,f=-21!) USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 0.528 12.199 1.678 1.00 0.00 N ATOM 201 CA ARG A 14 0.103 10.910 1.160 1.00 0.00 C ATOM 202 C ARG A 14 1.021 9.801 1.677 1.00 0.00 C ATOM 203 O ARG A 14 0.550 8.745 2.096 1.00 0.00 O ATOM 204 CB ARG A 14 0.116 10.901 -0.370 1.00 0.00 C ATOM 205 CG ARG A 14 -1.229 10.429 -0.927 1.00 0.00 C ATOM 206 CD ARG A 14 -1.733 11.377 -2.017 1.00 0.00 C ATOM 207 NE ARG A 14 -1.191 10.970 -3.333 1.00 0.00 N ATOM 208 CZ ARG A 14 -1.678 11.396 -4.517 1.00 0.00 C ATOM 209 NH1 ARG A 14 -2.726 12.246 -4.561 1.00 0.00 N ATOM 210 NH2 ARG A 14 -1.116 10.967 -5.632 1.00 0.00 N ATOM 0 HA ARG A 14 -0.916 10.733 1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.336 11.902 -0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.911 10.246 -0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.125 9.423 -1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.961 10.373 -0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.823 11.366 -2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.430 12.399 -1.790 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.399 10.327 -3.346 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.156 12.571 -3.695 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.088 12.563 -5.460 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.326 10.323 -5.590 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.472 11.279 -6.535 1.00 0.00 H new ATOM 223 N ALA A 15 2.316 10.079 1.632 1.00 0.00 N ATOM 224 CA ALA A 15 3.304 9.118 2.091 1.00 0.00 C ATOM 225 C ALA A 15 2.830 8.492 3.404 1.00 0.00 C ATOM 226 O ALA A 15 2.513 7.305 3.451 1.00 0.00 O ATOM 227 CB ALA A 15 4.662 9.810 2.232 1.00 0.00 C ATOM 0 H ALA A 15 2.704 10.956 1.285 1.00 0.00 H new ATOM 0 HA ALA A 15 3.421 8.313 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.404 9.089 2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.968 10.212 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.583 10.623 2.954 1.00 0.00 H new ATOM 233 N GLU A 16 2.795 9.320 4.438 1.00 0.00 N ATOM 234 CA GLU A 16 2.364 8.863 5.748 1.00 0.00 C ATOM 235 C GLU A 16 0.911 8.387 5.693 1.00 0.00 C ATOM 236 O GLU A 16 0.563 7.371 6.293 1.00 0.00 O ATOM 237 CB GLU A 16 2.542 9.961 6.798 1.00 0.00 C ATOM 238 CG GLU A 16 3.638 9.590 7.799 1.00 0.00 C ATOM 239 CD GLU A 16 3.035 9.157 9.137 1.00 0.00 C ATOM 240 OE1 GLU A 16 2.437 8.074 9.226 1.00 0.00 O ATOM 241 OE2 GLU A 16 3.204 9.991 10.107 1.00 0.00 O ATOM 0 H GLU A 16 3.058 10.305 4.395 1.00 0.00 H new ATOM 0 HA GLU A 16 2.991 8.021 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.796 10.901 6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.602 10.121 7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.248 8.783 7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.299 10.443 7.953 1.00 0.00 H new ATOM 249 N ARG A 17 0.101 9.145 4.968 1.00 0.00 N ATOM 250 CA ARG A 17 -1.307 8.814 4.827 1.00 0.00 C ATOM 251 C ARG A 17 -1.468 7.356 4.391 1.00 0.00 C ATOM 252 O ARG A 17 -2.203 6.595 5.019 1.00 0.00 O ATOM 253 CB ARG A 17 -1.987 9.723 3.801 1.00 0.00 C ATOM 254 CG ARG A 17 -3.236 10.379 4.393 1.00 0.00 C ATOM 255 CD ARG A 17 -4.313 9.334 4.692 1.00 0.00 C ATOM 256 NE ARG A 17 -4.282 8.972 6.127 1.00 0.00 N ATOM 257 CZ ARG A 17 -4.848 9.710 7.106 1.00 0.00 C ATOM 258 NH1 ARG A 17 -5.494 10.859 6.813 1.00 0.00 N ATOM 259 NH2 ARG A 17 -4.759 9.292 8.355 1.00 0.00 N ATOM 0 H ARG A 17 0.393 9.987 4.472 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.781 8.962 5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.289 10.493 3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.260 9.143 2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.974 10.909 5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.627 11.121 3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.295 9.726 4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.150 8.446 4.081 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.803 8.111 6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.557 11.176 5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.919 11.410 7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.268 8.424 8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.181 9.837 9.107 1.00 0.00 H new ATOM 272 N THR A 18 -0.769 7.011 3.320 1.00 0.00 N ATOM 273 CA THR A 18 -0.826 5.658 2.793 1.00 0.00 C ATOM 274 C THR A 18 -0.123 4.686 3.743 1.00 0.00 C ATOM 275 O THR A 18 -0.630 3.598 4.009 1.00 0.00 O ATOM 276 CB THR A 18 -0.225 5.673 1.386 1.00 0.00 C ATOM 277 OG1 THR A 18 -1.144 6.453 0.625 1.00 0.00 O ATOM 278 CG2 THR A 18 -0.262 4.297 0.719 1.00 0.00 C ATOM 0 H THR A 18 -0.160 7.645 2.803 1.00 0.00 H new ATOM 0 HA THR A 18 -1.855 5.305 2.719 1.00 0.00 H new ATOM 0 HB THR A 18 0.806 6.025 1.435 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.917 6.683 1.182 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.176 4.363 -0.277 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.306 3.586 1.319 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.295 3.959 0.639 1.00 0.00 H new ATOM 286 N ALA A 19 1.033 5.115 4.228 1.00 0.00 N ATOM 287 CA ALA A 19 1.810 4.296 5.143 1.00 0.00 C ATOM 288 C ALA A 19 0.998 4.051 6.416 1.00 0.00 C ATOM 289 O ALA A 19 1.231 3.074 7.127 1.00 0.00 O ATOM 290 CB ALA A 19 3.149 4.979 5.428 1.00 0.00 C ATOM 0 H ALA A 19 1.450 6.019 4.005 1.00 0.00 H new ATOM 0 HA ALA A 19 2.027 3.325 4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.732 4.365 6.114 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.700 5.104 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.971 5.956 5.877 1.00 0.00 H new ATOM 296 N GLU A 20 0.061 4.954 6.666 1.00 0.00 N ATOM 297 CA GLU A 20 -0.787 4.847 7.841 1.00 0.00 C ATOM 298 C GLU A 20 -1.943 3.880 7.576 1.00 0.00 C ATOM 299 O GLU A 20 -2.090 2.877 8.272 1.00 0.00 O ATOM 300 CB GLU A 20 -1.308 6.221 8.268 1.00 0.00 C ATOM 301 CG GLU A 20 -2.345 6.091 9.384 1.00 0.00 C ATOM 302 CD GLU A 20 -1.902 6.853 10.636 1.00 0.00 C ATOM 303 OE1 GLU A 20 -1.255 6.271 11.519 1.00 0.00 O ATOM 304 OE2 GLU A 20 -2.253 8.094 10.671 1.00 0.00 O ATOM 0 H GLU A 20 -0.130 5.763 6.075 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.189 4.451 8.662 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.477 6.839 8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.752 6.728 7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.305 6.476 9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.493 5.039 9.627 1.00 0.00 H new ATOM 312 N LEU A 21 -2.734 4.217 6.568 1.00 0.00 N ATOM 313 CA LEU A 21 -3.872 3.391 6.202 1.00 0.00 C ATOM 314 C LEU A 21 -3.402 1.952 5.979 1.00 0.00 C ATOM 315 O LEU A 21 -3.971 1.016 6.538 1.00 0.00 O ATOM 316 CB LEU A 21 -4.605 3.991 5.001 1.00 0.00 C ATOM 317 CG LEU A 21 -5.988 4.582 5.286 1.00 0.00 C ATOM 318 CD1 LEU A 21 -5.963 6.108 5.183 1.00 0.00 C ATOM 319 CD2 LEU A 21 -7.048 3.963 4.373 1.00 0.00 C ATOM 0 H LEU A 21 -2.609 5.051 5.993 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.601 3.367 7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.979 4.773 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.712 3.216 4.242 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.262 4.333 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.958 6.503 5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.255 6.510 5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.659 6.400 4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.021 4.400 4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.792 4.160 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.087 2.886 4.539 1.00 0.00 H new ATOM 331 N VAL A 22 -2.368 1.821 5.161 1.00 0.00 N ATOM 332 CA VAL A 22 -1.815 0.512 4.858 1.00 0.00 C ATOM 333 C VAL A 22 -1.764 -0.325 6.138 1.00 0.00 C ATOM 334 O VAL A 22 -2.575 -1.231 6.324 1.00 0.00 O ATOM 335 CB VAL A 22 -0.448 0.664 4.188 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.423 -0.570 4.434 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.598 0.939 2.691 1.00 0.00 C ATOM 0 H VAL A 22 -1.899 2.600 4.699 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.452 -0.017 4.150 1.00 0.00 H new ATOM 0 HB VAL A 22 0.051 1.522 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.389 -0.436 3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.572 -0.703 5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.071 -1.451 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.389 1.043 2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.127 0.111 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.162 1.860 2.545 1.00 0.00 H new ATOM 347 N ARG A 23 -0.804 0.009 6.988 1.00 0.00 N ATOM 348 CA ARG A 23 -0.637 -0.700 8.245 1.00 0.00 C ATOM 349 C ARG A 23 -2.002 -1.033 8.852 1.00 0.00 C ATOM 350 O ARG A 23 -2.203 -2.130 9.370 1.00 0.00 O ATOM 351 CB ARG A 23 0.168 0.133 9.244 1.00 0.00 C ATOM 352 CG ARG A 23 1.136 -0.748 10.037 1.00 0.00 C ATOM 353 CD ARG A 23 2.588 -0.430 9.676 1.00 0.00 C ATOM 354 NE ARG A 23 3.292 0.127 10.854 1.00 0.00 N ATOM 355 CZ ARG A 23 3.233 1.423 11.227 1.00 0.00 C ATOM 356 NH1 ARG A 23 2.501 2.308 10.518 1.00 0.00 N ATOM 357 NH2 ARG A 23 3.902 1.812 12.297 1.00 0.00 N ATOM 0 H ARG A 23 -0.134 0.762 6.831 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.094 -1.622 8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.725 0.906 8.714 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.510 0.642 9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.981 -0.595 11.105 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.928 -1.798 9.832 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.093 -1.334 9.334 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.619 0.283 8.853 1.00 0.00 H new ATOM 0 HE ARG A 23 3.856 -0.508 11.418 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.987 1.999 9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.462 3.285 10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.452 1.137 12.828 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.868 2.788 12.593 1.00 0.00 H new ATOM 370 N LEU A 24 -2.903 -0.066 8.766 1.00 0.00 N ATOM 371 CA LEU A 24 -4.243 -0.243 9.301 1.00 0.00 C ATOM 372 C LEU A 24 -4.963 -1.337 8.510 1.00 0.00 C ATOM 373 O LEU A 24 -5.445 -2.310 9.087 1.00 0.00 O ATOM 374 CB LEU A 24 -4.991 1.092 9.325 1.00 0.00 C ATOM 375 CG LEU A 24 -6.500 1.020 9.081 1.00 0.00 C ATOM 376 CD1 LEU A 24 -7.259 1.898 10.077 1.00 0.00 C ATOM 377 CD2 LEU A 24 -6.838 1.374 7.631 1.00 0.00 C ATOM 0 H LEU A 24 -2.732 0.842 8.334 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.198 -0.576 10.338 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.822 1.563 10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.552 1.745 8.571 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.824 -0.008 9.246 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.329 1.829 9.881 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.053 1.559 11.092 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.937 2.934 9.968 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.916 1.315 7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.497 2.386 7.415 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.342 0.673 6.960 1.00 0.00 H new ATOM 389 N VAL A 25 -5.012 -1.140 7.200 1.00 0.00 N ATOM 390 CA VAL A 25 -5.665 -2.098 6.324 1.00 0.00 C ATOM 391 C VAL A 25 -5.291 -3.517 6.758 1.00 0.00 C ATOM 392 O VAL A 25 -6.149 -4.284 7.192 1.00 0.00 O ATOM 393 CB VAL A 25 -5.305 -1.804 4.867 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.813 -2.912 3.942 1.00 0.00 C ATOM 395 CG2 VAL A 25 -5.843 -0.439 4.433 1.00 0.00 C ATOM 0 H VAL A 25 -4.610 -0.332 6.725 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.749 -2.010 6.401 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.218 -1.775 4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.544 -2.678 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.361 -3.861 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.897 -2.987 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.573 -0.255 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.928 -0.427 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.412 0.339 5.063 1.00 0.00 H new ATOM 405 N ARG A 26 -4.009 -3.823 6.626 1.00 0.00 N ATOM 406 CA ARG A 26 -3.511 -5.136 6.999 1.00 0.00 C ATOM 407 C ARG A 26 -4.106 -5.568 8.340 1.00 0.00 C ATOM 408 O ARG A 26 -4.550 -6.706 8.489 1.00 0.00 O ATOM 409 CB ARG A 26 -1.984 -5.137 7.102 1.00 0.00 C ATOM 410 CG ARG A 26 -1.372 -6.188 6.173 1.00 0.00 C ATOM 411 CD ARG A 26 -1.609 -5.826 4.706 1.00 0.00 C ATOM 412 NE ARG A 26 -1.453 -7.028 3.857 1.00 0.00 N ATOM 413 CZ ARG A 26 -2.464 -7.861 3.529 1.00 0.00 C ATOM 414 NH1 ARG A 26 -3.716 -7.628 3.978 1.00 0.00 N ATOM 415 NH2 ARG A 26 -2.210 -8.906 2.764 1.00 0.00 N ATOM 0 H ARG A 26 -3.300 -3.184 6.266 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.812 -5.838 6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.598 -4.151 6.845 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.686 -5.338 8.131 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.302 -6.268 6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.807 -7.164 6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.609 -5.411 4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.903 -5.056 4.394 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.523 -7.241 3.497 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.903 -6.818 4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.474 -8.262 3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.261 -9.075 2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.962 -9.545 2.507 1.00 0.00 H new ATOM 428 N THR A 27 -4.096 -4.638 9.283 1.00 0.00 N ATOM 429 CA THR A 27 -4.630 -4.908 10.608 1.00 0.00 C ATOM 430 C THR A 27 -6.126 -5.216 10.527 1.00 0.00 C ATOM 431 O THR A 27 -6.585 -6.231 11.049 1.00 0.00 O ATOM 432 CB THR A 27 -4.302 -3.712 11.503 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.878 -3.691 11.548 1.00 0.00 O ATOM 434 CG2 THR A 27 -4.718 -3.938 12.958 1.00 0.00 C ATOM 0 H THR A 27 -3.726 -3.696 9.156 1.00 0.00 H new ATOM 0 HA THR A 27 -4.172 -5.794 11.047 1.00 0.00 H new ATOM 0 HB THR A 27 -4.801 -2.823 11.117 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.536 -3.142 10.812 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.463 -3.059 13.550 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.793 -4.108 13.007 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.195 -4.808 13.355 1.00 0.00 H new ATOM 442 N SER A 28 -6.847 -4.320 9.868 1.00 0.00 N ATOM 443 CA SER A 28 -8.283 -4.482 9.713 1.00 0.00 C ATOM 444 C SER A 28 -8.590 -5.841 9.081 1.00 0.00 C ATOM 445 O SER A 28 -9.549 -6.507 9.468 1.00 0.00 O ATOM 446 CB SER A 28 -8.875 -3.356 8.863 1.00 0.00 C ATOM 447 OG SER A 28 -8.514 -2.069 9.356 1.00 0.00 O ATOM 0 H SER A 28 -6.463 -3.480 9.435 1.00 0.00 H new ATOM 0 HA SER A 28 -8.742 -4.435 10.701 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.531 -3.460 7.834 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.961 -3.447 8.847 1.00 0.00 H new ATOM 0 HG SER A 28 -7.546 -1.944 9.266 1.00 0.00 H new ATOM 453 N THR A 29 -7.757 -6.213 8.120 1.00 0.00 N ATOM 454 CA THR A 29 -7.928 -7.481 7.431 1.00 0.00 C ATOM 455 C THR A 29 -7.823 -8.644 8.420 1.00 0.00 C ATOM 456 O THR A 29 -8.789 -9.376 8.627 1.00 0.00 O ATOM 457 CB THR A 29 -6.897 -7.548 6.302 1.00 0.00 C ATOM 458 OG1 THR A 29 -6.846 -6.216 5.799 1.00 0.00 O ATOM 459 CG2 THR A 29 -7.385 -8.378 5.112 1.00 0.00 C ATOM 0 H THR A 29 -6.962 -5.659 7.802 1.00 0.00 H new ATOM 0 HA THR A 29 -8.921 -7.560 6.989 1.00 0.00 H new ATOM 0 HB THR A 29 -5.968 -7.972 6.683 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.117 -5.729 6.236 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.616 -8.393 4.339 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.591 -9.397 5.439 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.296 -7.935 4.709 1.00 0.00 H new ATOM 467 N ALA A 30 -6.642 -8.777 9.004 1.00 0.00 N ATOM 468 CA ALA A 30 -6.398 -9.838 9.967 1.00 0.00 C ATOM 469 C ALA A 30 -7.499 -9.820 11.029 1.00 0.00 C ATOM 470 O ALA A 30 -7.951 -10.872 11.478 1.00 0.00 O ATOM 471 CB ALA A 30 -5.002 -9.669 10.570 1.00 0.00 C ATOM 0 H ALA A 30 -5.843 -8.168 8.829 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.426 -10.813 9.480 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.819 -10.465 11.292 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.255 -9.719 9.778 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.936 -8.703 11.070 1.00 0.00 H new ATOM 477 N THR A 31 -7.899 -8.612 11.400 1.00 0.00 N ATOM 478 CA THR A 31 -8.938 -8.443 12.402 1.00 0.00 C ATOM 479 C THR A 31 -10.217 -9.163 11.969 1.00 0.00 C ATOM 480 O THR A 31 -10.914 -9.749 12.796 1.00 0.00 O ATOM 481 CB THR A 31 -9.134 -6.944 12.632 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.931 -6.532 13.277 1.00 0.00 O ATOM 483 CG2 THR A 31 -10.228 -6.647 13.659 1.00 0.00 C ATOM 0 H THR A 31 -7.522 -7.741 11.025 1.00 0.00 H new ATOM 0 HA THR A 31 -8.651 -8.897 13.350 1.00 0.00 H new ATOM 0 HB THR A 31 -9.383 -6.461 11.687 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.285 -6.233 12.604 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.326 -5.569 13.785 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.175 -7.059 13.311 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.963 -7.101 14.614 1.00 0.00 H new ATOM 491 N VAL A 32 -10.487 -9.096 10.674 1.00 0.00 N ATOM 492 CA VAL A 32 -11.670 -9.734 10.121 1.00 0.00 C ATOM 493 C VAL A 32 -11.564 -11.248 10.314 1.00 0.00 C ATOM 494 O VAL A 32 -12.578 -11.939 10.399 1.00 0.00 O ATOM 495 CB VAL A 32 -11.847 -9.329 8.657 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.975 -10.127 8.000 1.00 0.00 C ATOM 497 CG2 VAL A 32 -12.094 -7.824 8.530 1.00 0.00 C ATOM 0 H VAL A 32 -9.907 -8.609 9.991 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.565 -9.401 10.647 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.921 -9.562 8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.080 -9.820 6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.741 -11.191 8.042 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.909 -9.940 8.530 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.216 -7.563 7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.997 -7.556 9.078 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.244 -7.280 8.943 1.00 0.00 H new ATOM 507 N LEU A 33 -10.327 -11.720 10.378 1.00 0.00 N ATOM 508 CA LEU A 33 -10.076 -13.139 10.559 1.00 0.00 C ATOM 509 C LEU A 33 -9.673 -13.400 12.012 1.00 0.00 C ATOM 510 O LEU A 33 -8.871 -14.292 12.286 1.00 0.00 O ATOM 511 CB LEU A 33 -9.052 -13.637 9.537 1.00 0.00 C ATOM 512 CG LEU A 33 -9.436 -13.470 8.066 1.00 0.00 C ATOM 513 CD1 LEU A 33 -8.191 -13.387 7.180 1.00 0.00 C ATOM 514 CD2 LEU A 33 -10.386 -14.582 7.617 1.00 0.00 C ATOM 0 H LEU A 33 -9.488 -11.144 10.308 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.983 -13.713 10.372 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.112 -13.112 9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.865 -14.694 9.725 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.971 -12.527 7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.492 -13.269 6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.586 -12.532 7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.607 -14.301 7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.643 -14.439 6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.899 -15.549 7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.293 -14.551 8.220 1.00 0.00 H new ATOM 526 N GLY A 34 -10.247 -12.606 12.903 1.00 0.00 N ATOM 527 CA GLY A 34 -9.957 -12.740 14.321 1.00 0.00 C ATOM 528 C GLY A 34 -8.469 -13.010 14.553 1.00 0.00 C ATOM 529 O GLY A 34 -8.108 -13.892 15.331 1.00 0.00 O ATOM 0 H GLY A 34 -10.911 -11.868 12.671 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.251 -11.830 14.844 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.548 -13.554 14.741 1.00 0.00 H new ATOM 533 N HIS A 35 -7.645 -12.235 13.864 1.00 0.00 N ATOM 534 CA HIS A 35 -6.204 -12.379 13.985 1.00 0.00 C ATOM 535 C HIS A 35 -5.557 -10.997 14.101 1.00 0.00 C ATOM 536 O HIS A 35 -5.763 -10.138 13.245 1.00 0.00 O ATOM 537 CB HIS A 35 -5.641 -13.202 12.825 1.00 0.00 C ATOM 538 CG HIS A 35 -5.874 -14.688 12.956 1.00 0.00 C ATOM 539 ND1 HIS A 35 -6.170 -15.498 11.873 1.00 0.00 N ATOM 540 CD2 HIS A 35 -5.851 -15.501 14.051 1.00 0.00 C ATOM 541 CE1 HIS A 35 -6.317 -16.741 12.309 1.00 0.00 C ATOM 542 NE2 HIS A 35 -6.120 -16.740 13.659 1.00 0.00 N ATOM 0 H HIS A 35 -7.948 -11.505 13.219 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.966 -12.930 14.895 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.091 -12.855 11.895 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.569 -13.018 12.749 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.648 -15.189 15.065 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.552 -17.603 11.702 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.171 -17.557 14.267 1.00 0.00 H new ATOM 550 N ASP A 36 -4.789 -10.826 15.167 1.00 0.00 N ATOM 551 CA ASP A 36 -4.111 -9.564 15.406 1.00 0.00 C ATOM 552 C ASP A 36 -2.598 -9.777 15.318 1.00 0.00 C ATOM 553 O ASP A 36 -1.856 -9.355 16.204 1.00 0.00 O ATOM 554 CB ASP A 36 -4.432 -9.021 16.800 1.00 0.00 C ATOM 555 CG ASP A 36 -5.765 -8.278 16.913 1.00 0.00 C ATOM 556 OD1 ASP A 36 -6.503 -8.136 15.927 1.00 0.00 O ATOM 557 OD2 ASP A 36 -6.040 -7.829 18.091 1.00 0.00 O ATOM 0 H ASP A 36 -4.621 -11.541 15.875 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.451 -8.852 14.655 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.435 -9.852 17.505 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.631 -8.348 17.105 1.00 0.00 H new ATOM 563 N ASP A 37 -2.187 -10.432 14.243 1.00 0.00 N ATOM 564 CA ASP A 37 -0.776 -10.707 14.029 1.00 0.00 C ATOM 565 C ASP A 37 -0.368 -10.204 12.643 1.00 0.00 C ATOM 566 O ASP A 37 -0.192 -10.995 11.718 1.00 0.00 O ATOM 567 CB ASP A 37 -0.492 -12.209 14.088 1.00 0.00 C ATOM 568 CG ASP A 37 -1.352 -12.991 15.084 1.00 0.00 C ATOM 569 OD1 ASP A 37 -0.975 -13.167 16.252 1.00 0.00 O ATOM 570 OD2 ASP A 37 -2.467 -13.434 14.611 1.00 0.00 O ATOM 0 H ASP A 37 -2.806 -10.780 13.511 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.212 -10.202 14.813 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.640 -12.631 13.094 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.557 -12.355 14.344 1.00 0.00 H new ATOM 576 N PRO A 38 -0.224 -8.855 12.540 1.00 0.00 N ATOM 577 CA PRO A 38 0.160 -8.237 11.283 1.00 0.00 C ATOM 578 C PRO A 38 1.648 -8.451 10.999 1.00 0.00 C ATOM 579 O PRO A 38 2.099 -8.277 9.868 1.00 0.00 O ATOM 580 CB PRO A 38 -0.210 -6.771 11.436 1.00 0.00 C ATOM 581 CG PRO A 38 -0.356 -6.532 12.930 1.00 0.00 C ATOM 582 CD PRO A 38 -0.424 -7.887 13.615 1.00 0.00 C ATOM 0 HA PRO A 38 -0.351 -8.676 10.426 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.560 -6.127 11.011 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.139 -6.546 10.912 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.488 -5.955 13.308 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.256 -5.954 13.138 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.345 -7.982 14.382 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.385 -8.034 14.107 1.00 0.00 H new ATOM 590 N LYS A 39 2.369 -8.826 12.045 1.00 0.00 N ATOM 591 CA LYS A 39 3.797 -9.066 11.922 1.00 0.00 C ATOM 592 C LYS A 39 4.027 -10.362 11.143 1.00 0.00 C ATOM 593 O LYS A 39 5.146 -10.646 10.718 1.00 0.00 O ATOM 594 CB LYS A 39 4.464 -9.050 13.299 1.00 0.00 C ATOM 595 CG LYS A 39 4.985 -7.653 13.640 1.00 0.00 C ATOM 596 CD LYS A 39 5.288 -7.530 15.134 1.00 0.00 C ATOM 597 CE LYS A 39 5.263 -6.066 15.581 1.00 0.00 C ATOM 598 NZ LYS A 39 4.582 -5.935 16.888 1.00 0.00 N ATOM 0 H LYS A 39 1.991 -8.970 12.982 1.00 0.00 H new ATOM 0 HA LYS A 39 4.270 -8.264 11.355 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.749 -9.370 14.057 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.288 -9.763 13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.887 -7.447 13.064 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.246 -6.905 13.353 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.556 -8.101 15.705 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.266 -7.962 15.347 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.281 -5.685 15.655 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.749 -5.460 14.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.574 -4.936 17.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.604 -6.280 16.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.089 -6.497 17.601 1.00 0.00 H new ATOM 611 N ALA A 40 2.949 -11.115 10.977 1.00 0.00 N ATOM 612 CA ALA A 40 3.019 -12.374 10.257 1.00 0.00 C ATOM 613 C ALA A 40 2.234 -12.253 8.949 1.00 0.00 C ATOM 614 O ALA A 40 1.712 -13.244 8.440 1.00 0.00 O ATOM 615 CB ALA A 40 2.496 -13.503 11.148 1.00 0.00 C ATOM 0 H ALA A 40 2.022 -10.876 11.329 1.00 0.00 H new ATOM 0 HA ALA A 40 4.052 -12.612 10.002 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.549 -14.448 10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.105 -13.567 12.050 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.461 -13.300 11.423 1.00 0.00 H new ATOM 621 N VAL A 41 2.175 -11.030 8.443 1.00 0.00 N ATOM 622 CA VAL A 41 1.462 -10.766 7.204 1.00 0.00 C ATOM 623 C VAL A 41 2.100 -9.568 6.499 1.00 0.00 C ATOM 624 O VAL A 41 2.239 -8.498 7.089 1.00 0.00 O ATOM 625 CB VAL A 41 -0.028 -10.569 7.490 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.830 -10.496 6.189 1.00 0.00 C ATOM 627 CG2 VAL A 41 -0.562 -11.674 8.403 1.00 0.00 C ATOM 0 H VAL A 41 2.609 -10.211 8.868 1.00 0.00 H new ATOM 0 HA VAL A 41 1.539 -11.618 6.529 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.147 -9.619 8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.886 -10.356 6.420 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.475 -9.658 5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.701 -11.423 5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.623 -11.510 8.590 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.424 -12.642 7.922 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.020 -11.658 9.349 1.00 0.00 H new ATOM 637 N ARG A 42 2.471 -9.788 5.246 1.00 0.00 N ATOM 638 CA ARG A 42 3.091 -8.739 4.454 1.00 0.00 C ATOM 639 C ARG A 42 2.026 -7.780 3.917 1.00 0.00 C ATOM 640 O ARG A 42 0.846 -7.916 4.236 1.00 0.00 O ATOM 641 CB ARG A 42 3.877 -9.326 3.281 1.00 0.00 C ATOM 642 CG ARG A 42 5.384 -9.209 3.517 1.00 0.00 C ATOM 643 CD ARG A 42 6.135 -9.036 2.195 1.00 0.00 C ATOM 644 NE ARG A 42 7.044 -10.183 1.975 1.00 0.00 N ATOM 645 CZ ARG A 42 8.248 -10.319 2.571 1.00 0.00 C ATOM 646 NH1 ARG A 42 8.698 -9.380 3.429 1.00 0.00 N ATOM 647 NH2 ARG A 42 8.978 -11.385 2.301 1.00 0.00 N ATOM 0 H ARG A 42 2.354 -10.677 4.760 1.00 0.00 H new ATOM 0 HA ARG A 42 3.779 -8.197 5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.607 -10.373 3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.608 -8.806 2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.589 -8.360 4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.745 -10.100 4.031 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.425 -8.961 1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.705 -8.107 2.210 1.00 0.00 H new ATOM 0 HE ARG A 42 6.742 -10.916 1.333 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.127 -8.559 3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.609 -9.491 3.875 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.630 -12.090 1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.890 -11.504 2.742 1.00 0.00 H new ATOM 660 N ALA A 43 2.482 -6.832 3.112 1.00 0.00 N ATOM 661 CA ALA A 43 1.584 -5.851 2.527 1.00 0.00 C ATOM 662 C ALA A 43 1.126 -6.340 1.152 1.00 0.00 C ATOM 663 O ALA A 43 0.061 -5.952 0.673 1.00 0.00 O ATOM 664 CB ALA A 43 2.285 -4.493 2.459 1.00 0.00 C ATOM 0 H ALA A 43 3.462 -6.722 2.851 1.00 0.00 H new ATOM 0 HA ALA A 43 0.695 -5.728 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.611 -3.757 2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.563 -4.176 3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.181 -4.577 1.844 1.00 0.00 H new ATOM 670 N THR A 44 1.952 -7.186 0.555 1.00 0.00 N ATOM 671 CA THR A 44 1.645 -7.733 -0.756 1.00 0.00 C ATOM 672 C THR A 44 1.218 -9.197 -0.636 1.00 0.00 C ATOM 673 O THR A 44 1.573 -10.022 -1.477 1.00 0.00 O ATOM 674 CB THR A 44 2.868 -7.528 -1.652 1.00 0.00 C ATOM 675 OG1 THR A 44 3.976 -7.782 -0.791 1.00 0.00 O ATOM 676 CG2 THR A 44 3.049 -6.068 -2.071 1.00 0.00 C ATOM 0 H THR A 44 2.834 -7.506 0.955 1.00 0.00 H new ATOM 0 HA THR A 44 0.800 -7.217 -1.212 1.00 0.00 H new ATOM 0 HB THR A 44 2.775 -8.152 -2.541 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.811 -7.673 -1.292 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.931 -5.978 -2.705 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.170 -5.736 -2.623 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.176 -5.448 -1.184 1.00 0.00 H new ATOM 684 N THR A 45 0.462 -9.476 0.416 1.00 0.00 N ATOM 685 CA THR A 45 -0.017 -10.826 0.656 1.00 0.00 C ATOM 686 C THR A 45 -1.361 -11.047 -0.040 1.00 0.00 C ATOM 687 O THR A 45 -2.185 -10.136 -0.111 1.00 0.00 O ATOM 688 CB THR A 45 -0.074 -11.045 2.169 1.00 0.00 C ATOM 689 OG1 THR A 45 1.079 -11.835 2.449 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.246 -11.935 2.589 1.00 0.00 C ATOM 0 H THR A 45 0.170 -8.790 1.112 1.00 0.00 H new ATOM 0 HA THR A 45 0.660 -11.567 0.230 1.00 0.00 H new ATOM 0 HB THR A 45 -0.152 -10.081 2.672 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.121 -12.023 3.410 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.240 -12.058 3.672 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.183 -11.471 2.282 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.151 -12.911 2.113 1.00 0.00 H new ATOM 698 N PRO A 46 -1.546 -12.294 -0.550 1.00 0.00 N ATOM 699 CA PRO A 46 -2.776 -12.646 -1.239 1.00 0.00 C ATOM 700 C PRO A 46 -3.923 -12.845 -0.245 1.00 0.00 C ATOM 701 O PRO A 46 -4.006 -13.880 0.414 1.00 0.00 O ATOM 702 CB PRO A 46 -2.443 -13.907 -2.020 1.00 0.00 C ATOM 703 CG PRO A 46 -1.186 -14.474 -1.380 1.00 0.00 C ATOM 704 CD PRO A 46 -0.593 -13.398 -0.485 1.00 0.00 C ATOM 0 HA PRO A 46 -3.123 -11.859 -1.908 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.263 -14.624 -1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.277 -13.682 -3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.422 -15.366 -0.800 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.469 -14.772 -2.145 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.471 -13.756 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.393 -13.091 -0.835 1.00 0.00 H new ATOM 712 N PHE A 47 -4.779 -11.836 -0.170 1.00 0.00 N ATOM 713 CA PHE A 47 -5.918 -11.887 0.732 1.00 0.00 C ATOM 714 C PHE A 47 -6.665 -13.215 0.597 1.00 0.00 C ATOM 715 O PHE A 47 -7.174 -13.747 1.582 1.00 0.00 O ATOM 716 CB PHE A 47 -6.855 -10.745 0.333 1.00 0.00 C ATOM 717 CG PHE A 47 -7.617 -10.992 -0.970 1.00 0.00 C ATOM 718 CD1 PHE A 47 -6.995 -10.809 -2.166 1.00 0.00 C ATOM 719 CD2 PHE A 47 -8.916 -11.394 -0.933 1.00 0.00 C ATOM 720 CE1 PHE A 47 -7.703 -11.038 -3.376 1.00 0.00 C ATOM 721 CE2 PHE A 47 -9.623 -11.623 -2.143 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.001 -11.440 -3.339 1.00 0.00 C ATOM 0 H PHE A 47 -4.707 -10.979 -0.718 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.580 -11.795 1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.573 -10.580 1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.273 -9.829 0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.964 -10.490 -2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.410 -11.539 0.017 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.210 -10.893 -4.326 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.654 -11.942 -2.114 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.539 -11.614 -4.259 1.00 0.00 H new ATOM 732 N LYS A 48 -6.707 -13.712 -0.630 1.00 0.00 N ATOM 733 CA LYS A 48 -7.384 -14.968 -0.906 1.00 0.00 C ATOM 734 C LYS A 48 -6.839 -16.051 0.027 1.00 0.00 C ATOM 735 O LYS A 48 -7.497 -17.065 0.257 1.00 0.00 O ATOM 736 CB LYS A 48 -7.272 -15.322 -2.391 1.00 0.00 C ATOM 737 CG LYS A 48 -8.388 -16.281 -2.811 1.00 0.00 C ATOM 738 CD LYS A 48 -7.885 -17.285 -3.850 1.00 0.00 C ATOM 739 CE LYS A 48 -8.593 -17.089 -5.191 1.00 0.00 C ATOM 740 NZ LYS A 48 -7.690 -17.436 -6.311 1.00 0.00 N ATOM 0 H LYS A 48 -6.283 -13.268 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.451 -14.879 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.324 -14.413 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.302 -15.779 -2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.763 -16.814 -1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.224 -15.715 -3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.809 -17.168 -3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.054 -18.300 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.487 -17.711 -5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.921 -16.054 -5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.187 -17.297 -7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.849 -16.825 -6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.398 -18.431 -6.226 1.00 0.00 H new ATOM 753 N GLU A 49 -5.643 -15.800 0.539 1.00 0.00 N ATOM 754 CA GLU A 49 -5.003 -16.742 1.442 1.00 0.00 C ATOM 755 C GLU A 49 -5.345 -16.401 2.894 1.00 0.00 C ATOM 756 O GLU A 49 -5.269 -17.260 3.771 1.00 0.00 O ATOM 757 CB GLU A 49 -3.489 -16.764 1.226 1.00 0.00 C ATOM 758 CG GLU A 49 -2.810 -15.621 1.983 1.00 0.00 C ATOM 759 CD GLU A 49 -2.038 -16.147 3.194 1.00 0.00 C ATOM 760 OE1 GLU A 49 -2.537 -17.025 3.914 1.00 0.00 O ATOM 761 OE2 GLU A 49 -0.879 -15.611 3.377 1.00 0.00 O ATOM 0 H GLU A 49 -5.100 -14.958 0.346 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.383 -17.740 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.084 -17.719 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.269 -16.681 0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.130 -15.092 1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.560 -14.901 2.310 1.00 0.00 H new ATOM 769 N LEU A 50 -5.715 -15.146 3.102 1.00 0.00 N ATOM 770 CA LEU A 50 -6.069 -14.682 4.433 1.00 0.00 C ATOM 771 C LEU A 50 -7.337 -15.400 4.899 1.00 0.00 C ATOM 772 O LEU A 50 -7.490 -15.692 6.084 1.00 0.00 O ATOM 773 CB LEU A 50 -6.183 -13.156 4.455 1.00 0.00 C ATOM 774 CG LEU A 50 -4.865 -12.386 4.548 1.00 0.00 C ATOM 775 CD1 LEU A 50 -5.069 -10.907 4.216 1.00 0.00 C ATOM 776 CD2 LEU A 50 -4.211 -12.581 5.917 1.00 0.00 C ATOM 0 H LEU A 50 -5.777 -14.436 2.372 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.282 -14.931 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.704 -12.837 3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.808 -12.870 5.301 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.180 -12.791 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.116 -10.383 4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.458 -10.812 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.778 -10.471 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.276 -12.023 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.882 -12.219 6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.008 -13.640 6.076 1.00 0.00 H new ATOM 788 N GLY A 51 -8.214 -15.665 3.941 1.00 0.00 N ATOM 789 CA GLY A 51 -9.464 -16.344 4.239 1.00 0.00 C ATOM 790 C GLY A 51 -10.659 -15.413 4.022 1.00 0.00 C ATOM 791 O GLY A 51 -11.623 -15.447 4.785 1.00 0.00 O ATOM 0 H GLY A 51 -8.084 -15.422 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.564 -17.224 3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.454 -16.695 5.271 1.00 0.00 H new ATOM 795 N PHE A 52 -10.555 -14.603 2.979 1.00 0.00 N ATOM 796 CA PHE A 52 -11.615 -13.664 2.652 1.00 0.00 C ATOM 797 C PHE A 52 -12.464 -14.178 1.487 1.00 0.00 C ATOM 798 O PHE A 52 -11.967 -14.903 0.626 1.00 0.00 O ATOM 799 CB PHE A 52 -10.941 -12.355 2.237 1.00 0.00 C ATOM 800 CG PHE A 52 -10.901 -11.298 3.343 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.078 -11.465 4.413 1.00 0.00 C ATOM 802 CD2 PHE A 52 -11.687 -10.192 3.256 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.041 -10.484 5.440 1.00 0.00 C ATOM 804 CE2 PHE A 52 -11.650 -9.211 4.282 1.00 0.00 C ATOM 805 CZ PHE A 52 -10.827 -9.378 5.352 1.00 0.00 C ATOM 0 H PHE A 52 -9.753 -14.577 2.349 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.271 -13.530 3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.922 -12.569 1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.467 -11.945 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.453 -12.343 4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.340 -10.059 2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.389 -10.617 6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.275 -8.333 4.213 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.798 -8.632 6.132 1.00 0.00 H new ATOM 815 N ASP A 53 -13.728 -13.784 1.499 1.00 0.00 N ATOM 816 CA ASP A 53 -14.650 -14.196 0.454 1.00 0.00 C ATOM 817 C ASP A 53 -15.716 -13.114 0.264 1.00 0.00 C ATOM 818 O ASP A 53 -15.649 -12.331 -0.682 1.00 0.00 O ATOM 819 CB ASP A 53 -15.360 -15.498 0.828 1.00 0.00 C ATOM 820 CG ASP A 53 -15.529 -15.734 2.330 1.00 0.00 C ATOM 821 OD1 ASP A 53 -14.603 -15.502 3.121 1.00 0.00 O ATOM 822 OD2 ASP A 53 -16.686 -16.182 2.685 1.00 0.00 O ATOM 0 H ASP A 53 -14.136 -13.184 2.216 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.077 -14.348 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.345 -15.504 0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.802 -16.333 0.405 1.00 0.00 H new ATOM 828 N SER A 54 -16.674 -13.105 1.179 1.00 0.00 N ATOM 829 CA SER A 54 -17.752 -12.133 1.124 1.00 0.00 C ATOM 830 C SER A 54 -17.950 -11.493 2.500 1.00 0.00 C ATOM 831 O SER A 54 -17.747 -10.291 2.664 1.00 0.00 O ATOM 832 CB SER A 54 -19.054 -12.780 0.648 1.00 0.00 C ATOM 833 OG SER A 54 -19.047 -13.022 -0.756 1.00 0.00 O ATOM 0 H SER A 54 -16.726 -13.756 1.963 1.00 0.00 H new ATOM 0 HA SER A 54 -17.479 -11.360 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.206 -13.721 1.177 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.894 -12.133 0.900 1.00 0.00 H new ATOM 0 HG SER A 54 -19.894 -13.437 -1.021 1.00 0.00 H new ATOM 839 N LEU A 55 -18.343 -12.325 3.453 1.00 0.00 N ATOM 840 CA LEU A 55 -18.570 -11.855 4.809 1.00 0.00 C ATOM 841 C LEU A 55 -17.307 -11.161 5.323 1.00 0.00 C ATOM 842 O LEU A 55 -17.366 -10.028 5.797 1.00 0.00 O ATOM 843 CB LEU A 55 -19.047 -13.003 5.701 1.00 0.00 C ATOM 844 CG LEU A 55 -20.547 -13.302 5.666 1.00 0.00 C ATOM 845 CD1 LEU A 55 -20.805 -14.777 5.356 1.00 0.00 C ATOM 846 CD2 LEU A 55 -21.224 -12.862 6.966 1.00 0.00 C ATOM 0 H LEU A 55 -18.510 -13.321 3.313 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.370 -11.115 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.510 -13.907 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.766 -12.778 6.730 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.992 -12.721 4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.879 -14.962 5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.377 -15.025 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.343 -15.397 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.290 -13.086 6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.781 -13.397 7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.085 -11.790 7.104 1.00 0.00 H new ATOM 858 N ALA A 56 -16.193 -11.871 5.211 1.00 0.00 N ATOM 859 CA ALA A 56 -14.918 -11.337 5.657 1.00 0.00 C ATOM 860 C ALA A 56 -14.589 -10.076 4.856 1.00 0.00 C ATOM 861 O ALA A 56 -14.038 -9.119 5.398 1.00 0.00 O ATOM 862 CB ALA A 56 -13.838 -12.413 5.521 1.00 0.00 C ATOM 0 H ALA A 56 -16.148 -12.811 4.818 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.967 -11.055 6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.881 -12.012 5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.104 -13.275 6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.758 -12.719 4.478 1.00 0.00 H new ATOM 868 N ALA A 57 -14.940 -10.116 3.580 1.00 0.00 N ATOM 869 CA ALA A 57 -14.689 -8.988 2.699 1.00 0.00 C ATOM 870 C ALA A 57 -15.597 -7.823 3.098 1.00 0.00 C ATOM 871 O ALA A 57 -15.215 -6.661 2.966 1.00 0.00 O ATOM 872 CB ALA A 57 -14.898 -9.418 1.245 1.00 0.00 C ATOM 0 H ALA A 57 -15.396 -10.912 3.134 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.657 -8.650 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.710 -8.572 0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.210 -10.228 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.924 -9.761 1.111 1.00 0.00 H new ATOM 878 N VAL A 58 -16.781 -8.174 3.576 1.00 0.00 N ATOM 879 CA VAL A 58 -17.746 -7.172 3.995 1.00 0.00 C ATOM 880 C VAL A 58 -17.355 -6.638 5.374 1.00 0.00 C ATOM 881 O VAL A 58 -17.658 -5.494 5.710 1.00 0.00 O ATOM 882 CB VAL A 58 -19.159 -7.759 3.961 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.075 -7.043 4.955 1.00 0.00 C ATOM 884 CG2 VAL A 58 -19.739 -7.709 2.546 1.00 0.00 C ATOM 0 H VAL A 58 -17.094 -9.139 3.683 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.742 -6.328 3.306 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.094 -8.805 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.073 -7.480 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.675 -7.154 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.131 -5.984 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.744 -8.132 2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.782 -6.674 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.105 -8.285 1.872 1.00 0.00 H new ATOM 894 N ARG A 59 -16.686 -7.491 6.136 1.00 0.00 N ATOM 895 CA ARG A 59 -16.249 -7.119 7.471 1.00 0.00 C ATOM 896 C ARG A 59 -15.098 -6.114 7.392 1.00 0.00 C ATOM 897 O ARG A 59 -15.007 -5.203 8.214 1.00 0.00 O ATOM 898 CB ARG A 59 -15.793 -8.346 8.263 1.00 0.00 C ATOM 899 CG ARG A 59 -16.780 -8.672 9.386 1.00 0.00 C ATOM 900 CD ARG A 59 -16.165 -8.385 10.757 1.00 0.00 C ATOM 901 NE ARG A 59 -17.232 -8.275 11.777 1.00 0.00 N ATOM 902 CZ ARG A 59 -17.003 -8.071 13.092 1.00 0.00 C ATOM 903 NH1 ARG A 59 -15.742 -7.954 13.558 1.00 0.00 N ATOM 904 NH2 ARG A 59 -18.032 -7.989 13.915 1.00 0.00 N ATOM 0 H ARG A 59 -16.436 -8.439 5.854 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.097 -6.665 7.983 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.702 -9.202 7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.804 -8.164 8.684 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.688 -8.082 9.260 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.071 -9.721 9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.472 -9.182 11.028 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.589 -7.460 10.720 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.200 -8.358 11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.953 -8.020 12.915 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.578 -7.800 14.553 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.982 -8.080 13.554 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.877 -7.835 14.911 1.00 0.00 H new ATOM 917 N LEU A 60 -14.248 -6.313 6.396 1.00 0.00 N ATOM 918 CA LEU A 60 -13.107 -5.435 6.199 1.00 0.00 C ATOM 919 C LEU A 60 -13.603 -4.035 5.832 1.00 0.00 C ATOM 920 O LEU A 60 -13.262 -3.058 6.497 1.00 0.00 O ATOM 921 CB LEU A 60 -12.142 -6.034 5.173 1.00 0.00 C ATOM 922 CG LEU A 60 -10.962 -5.148 4.766 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.245 -4.591 5.997 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.007 -5.900 3.838 1.00 0.00 C ATOM 0 H LEU A 60 -14.326 -7.070 5.716 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.536 -5.339 7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.748 -6.967 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.707 -6.287 4.276 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.350 -4.297 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.411 -3.965 5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.942 -3.995 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.870 -5.415 6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.178 -5.248 3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.622 -6.782 4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.540 -6.207 2.938 1.00 0.00 H new ATOM 936 N ARG A 61 -14.400 -3.982 4.776 1.00 0.00 N ATOM 937 CA ARG A 61 -14.947 -2.718 4.313 1.00 0.00 C ATOM 938 C ARG A 61 -15.591 -1.961 5.476 1.00 0.00 C ATOM 939 O ARG A 61 -15.363 -0.764 5.645 1.00 0.00 O ATOM 940 CB ARG A 61 -15.990 -2.937 3.216 1.00 0.00 C ATOM 941 CG ARG A 61 -16.587 -1.607 2.753 1.00 0.00 C ATOM 942 CD ARG A 61 -18.113 -1.619 2.874 1.00 0.00 C ATOM 943 NE ARG A 61 -18.708 -2.297 1.701 1.00 0.00 N ATOM 944 CZ ARG A 61 -20.010 -2.641 1.606 1.00 0.00 C ATOM 945 NH1 ARG A 61 -20.865 -2.373 2.615 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.434 -3.243 0.510 1.00 0.00 N ATOM 0 H ARG A 61 -14.681 -4.795 4.227 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.125 -2.131 3.904 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.531 -3.448 2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -16.783 -3.586 3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.178 -0.793 3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.302 -1.417 1.718 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.409 -2.131 3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.489 -0.598 2.944 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.096 -2.518 0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.529 -1.907 3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.847 -2.636 2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.781 -3.441 -0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.414 -3.510 0.421 1.00 0.00 H new ATOM 959 N ASN A 62 -16.383 -2.690 6.248 1.00 0.00 N ATOM 960 CA ASN A 62 -17.063 -2.102 7.390 1.00 0.00 C ATOM 961 C ASN A 62 -16.023 -1.561 8.374 1.00 0.00 C ATOM 962 O ASN A 62 -16.308 -0.643 9.141 1.00 0.00 O ATOM 963 CB ASN A 62 -17.909 -3.144 8.124 1.00 0.00 C ATOM 964 CG ASN A 62 -19.377 -3.054 7.701 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.168 -2.316 8.265 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.695 -3.843 6.679 1.00 0.00 N ATOM 0 H ASN A 62 -16.569 -3.683 6.105 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.710 -1.305 7.023 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.526 -4.143 7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.827 -2.992 9.200 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.650 -3.855 6.322 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.984 -4.437 6.252 1.00 0.00 H new ATOM 973 N LEU A 63 -14.839 -2.153 8.318 1.00 0.00 N ATOM 974 CA LEU A 63 -13.755 -1.742 9.194 1.00 0.00 C ATOM 975 C LEU A 63 -12.979 -0.599 8.537 1.00 0.00 C ATOM 976 O LEU A 63 -12.538 0.328 9.215 1.00 0.00 O ATOM 977 CB LEU A 63 -12.883 -2.942 9.567 1.00 0.00 C ATOM 978 CG LEU A 63 -12.444 -3.024 11.031 1.00 0.00 C ATOM 979 CD1 LEU A 63 -11.899 -4.414 11.363 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.438 -1.920 11.363 1.00 0.00 C ATOM 0 H LEU A 63 -14.607 -2.914 7.680 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.150 -1.360 10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.429 -3.853 9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.991 -2.926 8.941 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.319 -2.863 11.660 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.594 -4.445 12.409 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.674 -5.160 11.189 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.039 -4.629 10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.142 -2.000 12.409 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.559 -2.026 10.728 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.896 -0.946 11.189 1.00 0.00 H new ATOM 992 N LEU A 64 -12.836 -0.701 7.224 1.00 0.00 N ATOM 993 CA LEU A 64 -12.121 0.312 6.467 1.00 0.00 C ATOM 994 C LEU A 64 -12.995 1.562 6.345 1.00 0.00 C ATOM 995 O LEU A 64 -12.562 2.576 5.799 1.00 0.00 O ATOM 996 CB LEU A 64 -11.659 -0.250 5.121 1.00 0.00 C ATOM 997 CG LEU A 64 -10.586 -1.338 5.181 1.00 0.00 C ATOM 998 CD1 LEU A 64 -9.678 -1.282 3.951 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.790 -1.252 6.485 1.00 0.00 C ATOM 0 H LEU A 64 -13.204 -1.471 6.665 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.212 0.608 6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.528 -0.653 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.279 0.574 4.517 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.083 -2.308 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.924 -2.066 4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.275 -1.430 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.187 -0.310 3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.034 -2.037 6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.304 -0.278 6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.464 -1.379 7.332 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.210 1.449 6.861 1.00 0.00 N ATOM 1012 CA ASN A 65 -15.149 2.557 6.816 1.00 0.00 C ATOM 1013 C ASN A 65 -14.650 3.679 7.729 1.00 0.00 C ATOM 1014 O ASN A 65 -14.788 4.857 7.402 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.532 2.127 7.308 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.614 2.490 6.289 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -18.090 1.663 5.529 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -17.974 3.770 6.315 1.00 0.00 N ATOM 0 H ASN A 65 -14.566 0.607 7.313 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.223 2.895 5.782 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.541 1.052 7.485 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.749 2.609 8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.689 4.112 5.673 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.535 4.410 6.977 1.00 0.00 H new ATOM 1025 N ALA A 66 -14.080 3.274 8.854 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.561 4.231 9.816 1.00 0.00 C ATOM 1027 C ALA A 66 -12.113 4.573 9.458 1.00 0.00 C ATOM 1028 O ALA A 66 -11.514 5.462 10.061 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.691 3.657 11.229 1.00 0.00 C ATOM 0 H ALA A 66 -13.966 2.296 9.121 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.137 5.156 9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.302 4.375 11.951 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.740 3.458 11.446 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.124 2.729 11.298 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.593 3.850 8.477 1.00 0.00 N ATOM 1036 CA ALA A 67 -10.228 4.066 8.031 1.00 0.00 C ATOM 1037 C ALA A 67 -10.213 5.153 6.955 1.00 0.00 C ATOM 1038 O ALA A 67 -9.151 5.649 6.583 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.638 2.745 7.532 1.00 0.00 C ATOM 0 H ALA A 67 -12.093 3.114 7.979 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.605 4.410 8.857 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.613 2.908 7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.644 2.015 8.342 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.236 2.370 6.701 1.00 0.00 H new ATOM 1045 N THR A 68 -11.405 5.493 6.485 1.00 0.00 N ATOM 1046 CA THR A 68 -11.542 6.513 5.460 1.00 0.00 C ATOM 1047 C THR A 68 -12.785 7.367 5.720 1.00 0.00 C ATOM 1048 O THR A 68 -12.708 8.594 5.727 1.00 0.00 O ATOM 1049 CB THR A 68 -11.559 5.815 4.098 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.493 4.751 4.265 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.239 5.106 3.787 1.00 0.00 C ATOM 0 H THR A 68 -12.284 5.080 6.796 1.00 0.00 H new ATOM 0 HA THR A 68 -10.701 7.206 5.477 1.00 0.00 H new ATOM 0 HB THR A 68 -11.771 6.546 3.318 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.047 3.987 4.687 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.304 4.627 2.810 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.428 5.834 3.781 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.043 4.351 4.548 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.900 6.683 5.928 1.00 0.00 N ATOM 1060 CA GLY A 69 -15.157 7.364 6.189 1.00 0.00 C ATOM 1061 C GLY A 69 -16.219 6.966 5.161 1.00 0.00 C ATOM 1062 O GLY A 69 -17.403 7.242 5.348 1.00 0.00 O ATOM 0 H GLY A 69 -13.960 5.665 5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.506 7.119 7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.003 8.443 6.160 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.758 6.322 4.099 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.653 5.884 3.042 1.00 0.00 C ATOM 1068 C LEU A 70 -16.979 4.402 3.239 1.00 0.00 C ATOM 1069 O LEU A 70 -16.551 3.793 4.218 1.00 0.00 O ATOM 1070 CB LEU A 70 -16.060 6.206 1.669 1.00 0.00 C ATOM 1071 CG LEU A 70 -14.786 5.445 1.294 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.819 5.009 -0.172 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -13.539 6.271 1.618 1.00 0.00 C ATOM 0 H LEU A 70 -14.776 6.093 3.948 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.596 6.428 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.817 6.003 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.847 7.274 1.629 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.739 4.539 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.902 4.471 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.677 4.357 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.902 5.888 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.648 5.708 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.566 7.205 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.514 6.489 2.686 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.735 3.865 2.293 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.124 2.466 2.350 1.00 0.00 C ATOM 1087 C ARG A 71 -17.211 1.624 1.455 1.00 0.00 C ATOM 1088 O ARG A 71 -17.428 0.424 1.296 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.576 2.279 1.905 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.438 1.753 3.054 1.00 0.00 C ATOM 1091 CD ARG A 71 -21.873 2.276 2.947 1.00 0.00 C ATOM 1092 NE ARG A 71 -21.984 3.591 3.616 1.00 0.00 N ATOM 1093 CZ ARG A 71 -23.147 4.126 4.043 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -24.311 3.463 3.872 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -23.130 5.309 4.629 1.00 0.00 N ATOM 0 H ARG A 71 -18.089 4.373 1.483 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.028 2.137 3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.977 3.229 1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.617 1.583 1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -20.442 0.663 3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.006 2.058 4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -22.158 2.367 1.899 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -22.562 1.567 3.405 1.00 0.00 H new ATOM 0 HE ARG A 71 -21.128 4.126 3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -24.316 2.550 3.417 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -25.185 3.875 4.198 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -22.247 5.804 4.753 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -24.000 5.728 4.958 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.211 2.287 0.895 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.264 1.615 0.020 1.00 0.00 C ATOM 1110 C LEU A 72 -16.028 0.895 -1.093 1.00 0.00 C ATOM 1111 O LEU A 72 -17.246 0.744 -1.018 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.346 0.698 0.829 1.00 0.00 C ATOM 1113 CG LEU A 72 -12.997 1.292 1.241 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.944 1.538 2.750 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -11.841 0.412 0.762 1.00 0.00 C ATOM 0 H LEU A 72 -16.035 3.283 1.030 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.608 2.340 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.876 0.391 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.160 -0.204 0.245 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.887 2.261 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.975 1.960 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.733 2.234 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.086 0.595 3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.894 0.857 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.934 -0.581 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.870 0.333 -0.325 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.260 0.457 -2.126 1.00 0.00 N ATOM 1128 CA PRO A 73 -15.851 -0.244 -3.254 1.00 0.00 C ATOM 1129 C PRO A 73 -16.220 -1.679 -2.874 1.00 0.00 C ATOM 1130 O PRO A 73 -15.499 -2.330 -2.119 1.00 0.00 O ATOM 1131 CB PRO A 73 -14.806 -0.170 -4.355 1.00 0.00 C ATOM 1132 CG PRO A 73 -13.494 0.159 -3.662 1.00 0.00 C ATOM 1133 CD PRO A 73 -13.814 0.618 -2.249 1.00 0.00 C ATOM 0 HA PRO A 73 -16.789 0.204 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.737 -1.116 -4.893 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.064 0.595 -5.087 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.844 -0.716 -3.641 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.961 0.939 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.284 0.019 -1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.516 1.655 -2.092 1.00 0.00 H new ATOM 1141 N SER A 74 -17.341 -2.131 -3.416 1.00 0.00 N ATOM 1142 CA SER A 74 -17.814 -3.478 -3.144 1.00 0.00 C ATOM 1143 C SER A 74 -16.823 -4.503 -3.699 1.00 0.00 C ATOM 1144 O SER A 74 -16.759 -5.633 -3.218 1.00 0.00 O ATOM 1145 CB SER A 74 -19.204 -3.705 -3.742 1.00 0.00 C ATOM 1146 OG SER A 74 -19.177 -3.716 -5.166 1.00 0.00 O ATOM 0 H SER A 74 -17.936 -1.588 -4.042 1.00 0.00 H new ATOM 0 HA SER A 74 -17.888 -3.603 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.604 -4.652 -3.380 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.879 -2.921 -3.398 1.00 0.00 H new ATOM 0 HG SER A 74 -20.083 -3.865 -5.509 1.00 0.00 H new ATOM 1152 N THR A 75 -16.075 -4.071 -4.704 1.00 0.00 N ATOM 1153 CA THR A 75 -15.090 -4.937 -5.330 1.00 0.00 C ATOM 1154 C THR A 75 -13.733 -4.786 -4.641 1.00 0.00 C ATOM 1155 O THR A 75 -12.749 -5.395 -5.059 1.00 0.00 O ATOM 1156 CB THR A 75 -15.054 -4.609 -6.824 1.00 0.00 C ATOM 1157 OG1 THR A 75 -14.627 -3.250 -6.870 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.449 -4.583 -7.452 1.00 0.00 C ATOM 0 H THR A 75 -16.131 -3.133 -5.100 1.00 0.00 H new ATOM 0 HA THR A 75 -15.359 -5.987 -5.220 1.00 0.00 H new ATOM 0 HB THR A 75 -14.437 -5.343 -7.342 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.574 -2.955 -7.803 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.366 -4.346 -8.513 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.919 -5.559 -7.334 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.057 -3.826 -6.957 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.722 -3.970 -3.597 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.501 -3.731 -2.846 1.00 0.00 C ATOM 1168 C LEU A 76 -11.738 -5.048 -2.689 1.00 0.00 C ATOM 1169 O LEU A 76 -10.634 -5.195 -3.210 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.816 -3.040 -1.518 1.00 0.00 C ATOM 1171 CG LEU A 76 -11.799 -3.253 -0.394 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -10.712 -2.177 -0.428 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -12.494 -3.322 0.967 1.00 0.00 C ATOM 0 H LEU A 76 -14.539 -3.466 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.848 -3.047 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.907 -1.969 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.789 -3.388 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.308 -4.213 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.002 -2.351 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.190 -2.217 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.168 -1.195 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.749 -3.474 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -13.028 -2.390 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -13.201 -4.152 0.973 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.358 -5.971 -1.968 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.751 -7.271 -1.736 1.00 0.00 C ATOM 1187 C VAL A 77 -12.120 -8.214 -2.883 1.00 0.00 C ATOM 1188 O VAL A 77 -12.146 -9.431 -2.706 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.167 -7.805 -0.364 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -11.684 -9.243 -0.166 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -11.658 -6.896 0.756 1.00 0.00 C ATOM 0 H VAL A 77 -13.274 -5.845 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.664 -7.188 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.256 -7.809 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.993 -9.598 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.118 -9.882 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.597 -9.275 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.968 -7.299 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.570 -6.845 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.073 -5.896 0.630 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.397 -7.616 -4.032 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.764 -8.388 -5.207 1.00 0.00 C ATOM 1203 C PHE A 78 -12.090 -7.830 -6.462 1.00 0.00 C ATOM 1204 O PHE A 78 -12.396 -8.253 -7.576 1.00 0.00 O ATOM 1205 CB PHE A 78 -14.282 -8.271 -5.363 1.00 0.00 C ATOM 1206 CG PHE A 78 -15.005 -9.617 -5.442 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.760 -10.460 -6.481 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -15.892 -9.970 -4.474 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -15.431 -11.710 -6.555 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -16.563 -11.220 -4.548 1.00 0.00 C ATOM 1211 CZ PHE A 78 -16.318 -12.063 -5.586 1.00 0.00 C ATOM 0 H PHE A 78 -12.375 -6.606 -4.175 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.446 -9.424 -5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.681 -7.705 -4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -14.501 -7.699 -6.265 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -14.055 -10.179 -7.250 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -16.086 -9.300 -3.649 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -15.237 -12.379 -7.380 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -17.268 -11.501 -3.779 1.00 0.00 H new ATOM 0 HZ PHE A 78 -16.828 -13.013 -5.641 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.186 -6.887 -6.240 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.466 -6.267 -7.339 1.00 0.00 C ATOM 1223 C ASP A 79 -9.099 -5.790 -6.843 1.00 0.00 C ATOM 1224 O ASP A 79 -8.474 -4.932 -7.464 1.00 0.00 O ATOM 1225 CB ASP A 79 -11.223 -5.052 -7.877 1.00 0.00 C ATOM 1226 CG ASP A 79 -11.559 -5.107 -9.369 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -11.014 -5.934 -10.116 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -12.431 -4.243 -9.764 1.00 0.00 O ATOM 0 H ASP A 79 -10.936 -6.537 -5.315 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.360 -7.007 -8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.151 -4.943 -7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.628 -4.159 -7.687 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.675 -6.369 -5.729 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.393 -6.014 -5.143 1.00 0.00 C ATOM 1236 C HIS A 80 -6.572 -7.281 -4.899 1.00 0.00 C ATOM 1237 O HIS A 80 -7.075 -8.254 -4.339 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.588 -5.181 -3.875 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.488 -5.977 -2.596 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -6.379 -6.739 -2.272 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -8.369 -6.120 -1.564 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -6.594 -7.311 -1.096 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.828 -6.927 -0.659 1.00 0.00 N ATOM 0 H HIS A 80 -9.196 -7.081 -5.217 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.833 -5.388 -5.837 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.842 -4.387 -3.856 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.565 -4.699 -3.916 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.342 -5.656 -1.495 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.912 -7.966 -0.575 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -8.263 -7.213 0.218 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.288 -7.228 -5.344 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.391 -8.360 -5.179 1.00 0.00 C ATOM 1253 C PRO A 81 -3.921 -8.481 -3.728 1.00 0.00 C ATOM 1254 O PRO A 81 -3.816 -9.585 -3.196 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.253 -8.105 -6.154 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.314 -6.623 -6.488 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.657 -6.093 -6.011 1.00 0.00 C ATOM 0 HA PRO A 81 -4.874 -9.314 -5.392 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.292 -8.366 -5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.365 -8.713 -7.052 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.498 -6.088 -6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.202 -6.469 -7.561 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.531 -5.253 -5.328 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.262 -5.738 -6.846 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.651 -7.330 -3.130 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.194 -7.293 -1.751 1.00 0.00 C ATOM 1267 C ASN A 82 -3.688 -6.005 -1.089 1.00 0.00 C ATOM 1268 O ASN A 82 -4.452 -5.250 -1.687 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.666 -7.308 -1.676 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.049 -6.779 -2.973 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -0.762 -5.603 -3.120 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -0.861 -7.713 -3.902 1.00 0.00 N ATOM 0 H ASN A 82 -3.740 -6.416 -3.575 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.588 -8.172 -1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.333 -6.699 -0.836 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.317 -8.324 -1.491 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.454 -7.462 -4.803 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.124 -8.680 -3.713 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.231 -5.795 0.137 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.617 -4.612 0.886 1.00 0.00 C ATOM 1281 C ALA A 83 -2.955 -3.381 0.264 1.00 0.00 C ATOM 1282 O ALA A 83 -3.598 -2.347 0.089 1.00 0.00 O ATOM 1283 CB ALA A 83 -3.240 -4.794 2.358 1.00 0.00 C ATOM 0 H ALA A 83 -2.597 -6.424 0.630 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.696 -4.465 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.530 -3.906 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.758 -5.664 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.163 -4.942 2.442 1.00 0.00 H new ATOM 1289 N SER A 84 -1.677 -3.532 -0.054 1.00 0.00 N ATOM 1290 CA SER A 84 -0.921 -2.446 -0.654 1.00 0.00 C ATOM 1291 C SER A 84 -1.801 -1.679 -1.643 1.00 0.00 C ATOM 1292 O SER A 84 -2.046 -0.487 -1.466 1.00 0.00 O ATOM 1293 CB SER A 84 0.334 -2.970 -1.355 1.00 0.00 C ATOM 1294 OG SER A 84 0.732 -4.244 -0.856 1.00 0.00 O ATOM 0 H SER A 84 -1.146 -4.391 0.093 1.00 0.00 H new ATOM 0 HA SER A 84 -0.605 -1.770 0.140 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.147 -3.043 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.148 -2.258 -1.221 1.00 0.00 H new ATOM 0 HG SER A 84 0.254 -4.949 -1.340 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.253 -2.395 -2.662 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.100 -1.797 -3.680 1.00 0.00 C ATOM 1302 C ALA A 85 -4.290 -1.110 -3.007 1.00 0.00 C ATOM 1303 O ALA A 85 -4.518 0.082 -3.207 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.535 -2.872 -4.678 1.00 0.00 C ATOM 0 H ALA A 85 -2.049 -3.384 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.553 -1.037 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.170 -2.424 -5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.654 -3.309 -5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.090 -3.651 -4.155 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.018 -1.892 -2.222 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.178 -1.374 -1.518 1.00 0.00 C ATOM 1312 C VAL A 86 -5.849 0.007 -0.947 1.00 0.00 C ATOM 1313 O VAL A 86 -6.687 0.906 -0.965 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.631 -2.371 -0.450 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.648 -1.734 0.499 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.197 -3.640 -1.089 1.00 0.00 C ATOM 0 H VAL A 86 -4.826 -2.880 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.016 -1.250 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.757 -2.653 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.953 -2.464 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.196 -0.874 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.521 -1.409 -0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.511 -4.332 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.054 -3.383 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.430 -4.111 -1.703 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.626 0.131 -0.453 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.175 1.386 0.123 1.00 0.00 C ATOM 1328 C ALA A 87 -4.399 2.515 -0.886 1.00 0.00 C ATOM 1329 O ALA A 87 -4.939 3.564 -0.539 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.708 1.260 0.540 1.00 0.00 C ATOM 0 H ALA A 87 -3.933 -0.618 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.749 1.625 1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.370 2.202 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.607 0.465 1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.101 1.023 -0.333 1.00 0.00 H new ATOM 1336 N GLY A 88 -3.974 2.260 -2.114 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.121 3.241 -3.176 1.00 0.00 C ATOM 1338 C GLY A 88 -5.597 3.489 -3.492 1.00 0.00 C ATOM 1339 O GLY A 88 -6.074 4.619 -3.399 1.00 0.00 O ATOM 0 H GLY A 88 -3.528 1.388 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.646 4.177 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.607 2.892 -4.072 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.280 2.414 -3.859 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.692 2.501 -4.190 1.00 0.00 C ATOM 1345 C PHE A 89 -8.431 3.408 -3.203 1.00 0.00 C ATOM 1346 O PHE A 89 -9.386 4.088 -3.576 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.263 1.086 -4.089 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.368 0.786 -5.103 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.506 1.532 -5.110 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -9.213 -0.225 -6.000 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.531 1.254 -6.051 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -10.238 -0.502 -6.942 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.376 0.243 -6.948 1.00 0.00 C ATOM 0 H PHE A 89 -5.881 1.478 -3.934 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.815 2.919 -5.189 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.454 0.368 -4.226 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.656 0.935 -3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.629 2.336 -4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.310 -0.817 -5.995 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.435 1.845 -6.055 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.114 -1.304 -7.654 1.00 0.00 H new ATOM 0 HZ PHE A 89 -12.156 0.032 -7.664 1.00 0.00 H new ATOM 1363 N LEU A 90 -7.961 3.388 -1.965 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.566 4.200 -0.922 1.00 0.00 C ATOM 1365 C LEU A 90 -7.986 5.615 -0.983 1.00 0.00 C ATOM 1366 O LEU A 90 -8.729 6.591 -1.071 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.404 3.527 0.442 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.628 2.774 0.968 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.427 2.350 2.424 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -10.902 3.601 0.783 1.00 0.00 C ATOM 0 H LEU A 90 -7.169 2.823 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.641 4.288 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.570 2.828 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.130 4.290 1.171 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.747 1.863 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.311 1.817 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.558 1.697 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.269 3.234 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.757 3.043 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.809 4.540 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.049 3.810 -0.277 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.663 5.680 -0.933 1.00 0.00 N ATOM 1383 CA ASP A 91 -5.975 6.959 -0.981 1.00 0.00 C ATOM 1384 C ASP A 91 -6.534 7.792 -2.136 1.00 0.00 C ATOM 1385 O ASP A 91 -6.879 8.958 -1.955 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.475 6.769 -1.218 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.577 7.800 -0.532 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -3.220 7.654 0.647 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.235 8.802 -1.270 1.00 0.00 O ATOM 0 H ASP A 91 -6.050 4.868 -0.860 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.129 7.460 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.191 5.775 -0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.285 6.800 -2.291 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.607 7.159 -3.298 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.119 7.826 -4.483 1.00 0.00 C ATOM 1397 C ALA A 92 -8.516 8.376 -4.190 1.00 0.00 C ATOM 1398 O ALA A 92 -8.864 9.468 -4.637 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.112 6.851 -5.662 1.00 0.00 C ATOM 0 H ALA A 92 -6.320 6.191 -3.444 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.483 8.669 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.496 7.352 -6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.093 6.513 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.742 5.993 -5.428 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.279 7.595 -3.439 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.631 7.990 -3.081 1.00 0.00 C ATOM 1407 C GLU A 93 -10.598 9.136 -2.067 1.00 0.00 C ATOM 1408 O GLU A 93 -11.539 9.924 -1.985 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.424 6.800 -2.538 1.00 0.00 C ATOM 1410 CG GLU A 93 -11.793 5.828 -3.661 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.213 6.090 -4.168 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.171 6.040 -3.382 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -13.303 6.352 -5.427 1.00 0.00 O ATOM 0 H GLU A 93 -8.987 6.691 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.137 8.341 -3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.835 6.281 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.330 7.156 -2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.085 5.931 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.715 4.803 -3.300 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.505 9.192 -1.321 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.337 10.228 -0.316 1.00 0.00 C ATOM 1423 C LEU A 94 -8.733 11.472 -0.969 1.00 0.00 C ATOM 1424 O LEU A 94 -8.913 12.585 -0.477 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.525 9.699 0.868 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.221 8.656 1.746 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.203 7.703 2.375 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -10.104 9.328 2.799 1.00 0.00 C ATOM 0 H LEU A 94 -8.727 8.537 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.303 10.521 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.602 9.265 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.243 10.544 1.496 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.875 8.057 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.723 6.972 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.653 7.187 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.506 8.270 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.587 8.565 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.490 9.967 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.865 9.932 2.304 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.028 11.242 -2.067 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.396 12.331 -2.792 1.00 0.00 C ATOM 1442 C GLY A 95 -8.031 12.513 -4.172 1.00 0.00 C ATOM 1443 O GLY A 95 -8.456 13.612 -4.525 1.00 0.00 O ATOM 0 H GLY A 95 -7.881 10.318 -2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.488 13.255 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.330 12.129 -2.902 1.00 0.00 H new