USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 499 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 44 ASN : amide:sc= -6.16! C(o=-7.3!,f=-4.8!) USER MOD Set 1.2: A 46 ASN : amide:sc= -1.14 K(o=-7.3,f=-12!) USER MOD Single : A 17 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.6!) USER MOD Single : A 18 GLN : amide:sc= -3.37! K(o=-3.4!,f=-1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -3.71! C(o=-3.7!,f=-5.9!) USER MOD Single : A 23 GLN : amide:sc= -0.0313 X(o=-0.031,f=0) USER MOD Single : A 28 THR OG1 : rot -17:sc= -0.589! USER MOD Single : A 31 ASN : amide:sc= -2.93! C(o=-2.9!,f=-1.7!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 34 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.094) USER MOD Single : A 37 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.9!) USER MOD Single : A 38 GLN : amide:sc= -1.37 K(o=-1.4,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 179:sc= -0.699! USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 103 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.37) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.024) USER MOD Single : A 130 SER OG : rot -54:sc= 0.481 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 250 N GLN A 17 -6.559 -56.847 9.758 1.00 0.00 N ATOM 251 CA GLN A 17 -6.993 -57.475 11.001 1.00 0.00 C ATOM 252 C GLN A 17 -7.752 -58.765 10.708 1.00 0.00 C ATOM 253 O GLN A 17 -7.712 -59.713 11.491 1.00 0.00 O ATOM 254 CB GLN A 17 -7.891 -56.522 11.796 1.00 0.00 C ATOM 255 CG GLN A 17 -7.424 -56.471 13.253 1.00 0.00 C ATOM 256 CD GLN A 17 -6.281 -55.471 13.401 1.00 0.00 C ATOM 257 OE1 GLN A 17 -5.714 -55.023 12.404 1.00 0.00 O ATOM 258 NE2 GLN A 17 -5.909 -55.091 14.592 1.00 0.00 N ATOM 0 HA GLN A 17 -6.108 -57.708 11.592 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.858 -55.524 11.358 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.927 -56.857 11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.254 -56.185 13.899 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.096 -57.460 13.573 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.380 -55.463 15.416 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.147 -54.421 14.699 1.00 0.00 H new ATOM 267 N GLN A 18 -8.442 -58.793 9.571 1.00 0.00 N ATOM 268 CA GLN A 18 -9.203 -59.975 9.183 1.00 0.00 C ATOM 269 C GLN A 18 -8.362 -61.231 9.368 1.00 0.00 C ATOM 270 O GLN A 18 -8.852 -62.251 9.852 1.00 0.00 O ATOM 271 CB GLN A 18 -9.641 -59.864 7.723 1.00 0.00 C ATOM 272 CG GLN A 18 -11.061 -59.300 7.660 1.00 0.00 C ATOM 273 CD GLN A 18 -11.143 -58.006 8.463 1.00 0.00 C ATOM 274 OE1 GLN A 18 -11.099 -56.917 7.892 1.00 0.00 O ATOM 275 NE2 GLN A 18 -11.257 -58.062 9.761 1.00 0.00 N ATOM 0 H GLN A 18 -8.490 -58.019 8.909 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.086 -60.040 9.819 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.956 -59.217 7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.605 -60.843 7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.341 -59.113 6.623 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.769 -60.029 8.055 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.293 -58.966 10.231 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.310 -57.201 10.306 1.00 0.00 H new ATOM 284 N THR A 19 -7.093 -61.148 8.986 1.00 0.00 N ATOM 285 CA THR A 19 -6.196 -62.287 9.125 1.00 0.00 C ATOM 286 C THR A 19 -5.942 -62.560 10.596 1.00 0.00 C ATOM 287 O THR A 19 -5.901 -63.707 11.040 1.00 0.00 O ATOM 288 CB THR A 19 -4.875 -62.007 8.392 1.00 0.00 C ATOM 289 OG1 THR A 19 -4.493 -63.158 7.655 1.00 0.00 O ATOM 290 CG2 THR A 19 -3.770 -61.655 9.393 1.00 0.00 C ATOM 0 H THR A 19 -6.666 -60.314 8.582 1.00 0.00 H new ATOM 0 HA THR A 19 -6.658 -63.168 8.679 1.00 0.00 H new ATOM 0 HB THR A 19 -5.019 -61.164 7.717 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.651 -62.981 7.185 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.842 -61.460 8.856 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.058 -60.767 9.955 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.623 -62.488 10.081 1.00 0.00 H new ATOM 298 N PHE A 20 -5.785 -61.483 11.341 1.00 0.00 N ATOM 299 CA PHE A 20 -5.545 -61.575 12.774 1.00 0.00 C ATOM 300 C PHE A 20 -6.684 -62.335 13.444 1.00 0.00 C ATOM 301 O PHE A 20 -6.465 -63.343 14.115 1.00 0.00 O ATOM 302 CB PHE A 20 -5.441 -60.171 13.371 1.00 0.00 C ATOM 303 CG PHE A 20 -4.866 -60.255 14.762 1.00 0.00 C ATOM 304 CD1 PHE A 20 -5.632 -60.792 15.802 1.00 0.00 C ATOM 305 CD2 PHE A 20 -3.568 -59.797 15.011 1.00 0.00 C ATOM 306 CE1 PHE A 20 -5.101 -60.870 17.093 1.00 0.00 C ATOM 307 CE2 PHE A 20 -3.036 -59.876 16.302 1.00 0.00 C ATOM 308 CZ PHE A 20 -3.802 -60.412 17.343 1.00 0.00 C ATOM 0 H PHE A 20 -5.819 -60.530 10.979 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.611 -62.109 12.945 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.809 -59.543 12.743 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.425 -59.704 13.401 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.634 -61.146 15.608 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.977 -59.383 14.207 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.692 -61.283 17.897 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.034 -59.523 16.495 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.391 -60.472 18.340 1.00 0.00 H new ATOM 318 N LEU A 21 -7.901 -61.844 13.245 1.00 0.00 N ATOM 319 CA LEU A 21 -9.079 -62.481 13.819 1.00 0.00 C ATOM 320 C LEU A 21 -9.259 -63.873 13.226 1.00 0.00 C ATOM 321 O LEU A 21 -9.496 -64.839 13.951 1.00 0.00 O ATOM 322 CB LEU A 21 -10.321 -61.632 13.541 1.00 0.00 C ATOM 323 CG LEU A 21 -10.056 -60.186 13.966 1.00 0.00 C ATOM 324 CD1 LEU A 21 -11.013 -59.249 13.225 1.00 0.00 C ATOM 325 CD2 LEU A 21 -10.280 -60.050 15.475 1.00 0.00 C ATOM 0 H LEU A 21 -8.098 -61.010 12.692 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.943 -62.569 14.897 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.571 -61.671 12.481 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.177 -62.031 14.085 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.027 -59.920 13.723 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.823 -58.220 13.529 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.857 -59.345 12.151 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.042 -59.514 13.467 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.092 -59.020 15.779 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.309 -60.317 15.716 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.599 -60.716 16.005 1.00 0.00 H new ATOM 337 N ASN A 22 -9.131 -63.974 11.908 1.00 0.00 N ATOM 338 CA ASN A 22 -9.267 -65.263 11.245 1.00 0.00 C ATOM 339 C ASN A 22 -8.457 -66.303 12.005 1.00 0.00 C ATOM 340 O ASN A 22 -8.885 -67.444 12.170 1.00 0.00 O ATOM 341 CB ASN A 22 -8.770 -65.171 9.800 1.00 0.00 C ATOM 342 CG ASN A 22 -8.605 -66.569 9.215 1.00 0.00 C ATOM 343 OD1 ASN A 22 -8.844 -67.563 9.902 1.00 0.00 O ATOM 344 ND2 ASN A 22 -8.210 -66.705 7.980 1.00 0.00 N ATOM 0 H ASN A 22 -8.936 -63.190 11.286 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.318 -65.553 11.233 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.476 -64.598 9.200 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.819 -64.640 9.767 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.098 -67.637 7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.013 -65.880 7.414 1.00 0.00 H new ATOM 351 N GLN A 23 -7.288 -65.885 12.480 1.00 0.00 N ATOM 352 CA GLN A 23 -6.420 -66.779 13.248 1.00 0.00 C ATOM 353 C GLN A 23 -7.080 -67.121 14.575 1.00 0.00 C ATOM 354 O GLN A 23 -7.064 -68.272 15.011 1.00 0.00 O ATOM 355 CB GLN A 23 -5.056 -66.123 13.522 1.00 0.00 C ATOM 356 CG GLN A 23 -3.946 -66.955 12.876 1.00 0.00 C ATOM 357 CD GLN A 23 -2.593 -66.295 13.117 1.00 0.00 C ATOM 358 OE1 GLN A 23 -1.678 -66.926 13.643 1.00 0.00 O ATOM 359 NE2 GLN A 23 -2.410 -65.052 12.761 1.00 0.00 N ATOM 0 H GLN A 23 -6.920 -64.943 12.350 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.264 -67.685 12.662 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.043 -65.109 13.123 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.888 -66.046 14.596 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.947 -67.963 13.291 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.128 -67.051 11.806 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.170 -64.529 12.325 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.508 -64.604 12.919 1.00 0.00 H new ATOM 368 N LEU A 24 -7.659 -66.110 15.212 1.00 0.00 N ATOM 369 CA LEU A 24 -8.320 -66.314 16.492 1.00 0.00 C ATOM 370 C LEU A 24 -9.365 -67.421 16.381 1.00 0.00 C ATOM 371 O LEU A 24 -9.290 -68.430 17.078 1.00 0.00 O ATOM 372 CB LEU A 24 -8.985 -65.019 16.962 1.00 0.00 C ATOM 373 CG LEU A 24 -7.949 -64.132 17.657 1.00 0.00 C ATOM 374 CD1 LEU A 24 -8.541 -62.740 17.891 1.00 0.00 C ATOM 375 CD2 LEU A 24 -7.566 -64.753 19.005 1.00 0.00 C ATOM 0 H LEU A 24 -7.684 -65.151 14.866 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.567 -66.610 17.222 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.418 -64.492 16.112 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.802 -65.246 17.647 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.063 -64.050 17.027 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.803 -62.109 18.386 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.815 -62.296 16.934 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.427 -62.823 18.520 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.828 -64.122 19.500 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.453 -64.835 19.633 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.144 -65.745 18.842 1.00 0.00 H new ATOM 387 N ARG A 25 -10.327 -67.231 15.487 1.00 0.00 N ATOM 388 CA ARG A 25 -11.375 -68.221 15.278 1.00 0.00 C ATOM 389 C ARG A 25 -10.754 -69.545 14.865 1.00 0.00 C ATOM 390 O ARG A 25 -11.389 -70.595 14.929 1.00 0.00 O ATOM 391 CB ARG A 25 -12.335 -67.739 14.185 1.00 0.00 C ATOM 392 CG ARG A 25 -13.480 -68.742 14.016 1.00 0.00 C ATOM 393 CD ARG A 25 -13.543 -69.215 12.561 1.00 0.00 C ATOM 394 NE ARG A 25 -12.328 -69.943 12.210 1.00 0.00 N ATOM 395 CZ ARG A 25 -12.016 -70.187 10.940 1.00 0.00 C ATOM 396 NH1 ARG A 25 -12.803 -69.772 9.985 1.00 0.00 N ATOM 397 NH2 ARG A 25 -10.925 -70.841 10.650 1.00 0.00 N ATOM 0 H ARG A 25 -10.403 -66.403 14.897 1.00 0.00 H new ATOM 0 HA ARG A 25 -11.929 -68.357 16.207 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.734 -66.759 14.446 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.799 -67.624 13.243 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -13.330 -69.594 14.679 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -14.426 -68.280 14.299 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -14.413 -69.856 12.418 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -13.666 -68.358 11.898 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.708 -70.270 12.951 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.656 -69.261 10.213 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.565 -69.958 9.011 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.311 -71.165 11.397 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.686 -71.028 9.676 1.00 0.00 H new ATOM 411 N GLU A 26 -9.510 -69.476 14.416 1.00 0.00 N ATOM 412 CA GLU A 26 -8.815 -70.668 13.962 1.00 0.00 C ATOM 413 C GLU A 26 -8.323 -71.531 15.125 1.00 0.00 C ATOM 414 O GLU A 26 -8.456 -72.755 15.089 1.00 0.00 O ATOM 415 CB GLU A 26 -7.628 -70.276 13.081 1.00 0.00 C ATOM 416 CG GLU A 26 -7.494 -71.280 11.934 1.00 0.00 C ATOM 417 CD GLU A 26 -6.463 -70.788 10.925 1.00 0.00 C ATOM 418 OE1 GLU A 26 -5.325 -70.592 11.318 1.00 0.00 O ATOM 419 OE2 GLU A 26 -6.826 -70.617 9.772 1.00 0.00 O ATOM 0 H GLU A 26 -8.966 -68.615 14.357 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.529 -71.259 13.389 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.771 -69.271 12.684 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.712 -70.258 13.672 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.196 -72.253 12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.458 -71.415 11.444 1.00 0.00 H new ATOM 426 N ILE A 27 -7.730 -70.906 16.141 1.00 0.00 N ATOM 427 CA ILE A 27 -7.202 -71.672 17.275 1.00 0.00 C ATOM 428 C ILE A 27 -8.209 -71.838 18.392 1.00 0.00 C ATOM 429 O ILE A 27 -8.284 -72.899 19.012 1.00 0.00 O ATOM 430 CB ILE A 27 -5.918 -71.027 17.832 1.00 0.00 C ATOM 431 CG1 ILE A 27 -6.200 -69.909 18.848 1.00 0.00 C ATOM 432 CG2 ILE A 27 -5.132 -70.422 16.693 1.00 0.00 C ATOM 433 CD1 ILE A 27 -6.560 -68.625 18.107 1.00 0.00 C ATOM 0 H ILE A 27 -7.603 -69.896 16.206 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.972 -72.664 16.885 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.365 -71.818 18.339 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.016 -70.201 19.508 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.325 -69.745 19.476 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.222 -69.964 17.081 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.869 -71.202 15.978 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.737 -69.663 16.196 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.760 -67.833 18.828 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.730 -68.330 17.465 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.448 -68.793 17.498 1.00 0.00 H new ATOM 445 N THR A 28 -8.945 -70.787 18.692 1.00 0.00 N ATOM 446 CA THR A 28 -9.883 -70.862 19.787 1.00 0.00 C ATOM 447 C THR A 28 -11.290 -71.218 19.310 1.00 0.00 C ATOM 448 O THR A 28 -12.192 -71.432 20.119 1.00 0.00 O ATOM 449 CB THR A 28 -9.882 -69.540 20.543 1.00 0.00 C ATOM 450 OG1 THR A 28 -10.901 -69.554 21.532 1.00 0.00 O ATOM 451 CG2 THR A 28 -10.123 -68.401 19.564 1.00 0.00 C ATOM 0 H THR A 28 -8.913 -69.892 18.204 1.00 0.00 H new ATOM 0 HA THR A 28 -9.568 -71.663 20.456 1.00 0.00 H new ATOM 0 HB THR A 28 -8.918 -69.398 21.031 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.541 -70.269 21.332 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.123 -67.453 20.102 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.332 -68.393 18.814 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.087 -68.540 19.074 1.00 0.00 H new ATOM 459 N GLY A 29 -11.463 -71.305 17.997 1.00 0.00 N ATOM 460 CA GLY A 29 -12.756 -71.665 17.422 1.00 0.00 C ATOM 461 C GLY A 29 -13.866 -70.700 17.833 1.00 0.00 C ATOM 462 O GLY A 29 -15.026 -71.095 17.945 1.00 0.00 O ATOM 0 H GLY A 29 -10.728 -71.132 17.311 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.676 -71.680 16.335 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -13.022 -72.675 17.736 1.00 0.00 H new ATOM 466 N ILE A 30 -13.520 -69.436 18.043 1.00 0.00 N ATOM 467 CA ILE A 30 -14.521 -68.446 18.423 1.00 0.00 C ATOM 468 C ILE A 30 -15.113 -67.796 17.177 1.00 0.00 C ATOM 469 O ILE A 30 -14.425 -67.073 16.457 1.00 0.00 O ATOM 470 CB ILE A 30 -13.898 -67.378 19.320 1.00 0.00 C ATOM 471 CG1 ILE A 30 -13.340 -68.040 20.583 1.00 0.00 C ATOM 472 CG2 ILE A 30 -14.965 -66.351 19.710 1.00 0.00 C ATOM 473 CD1 ILE A 30 -14.456 -68.807 21.296 1.00 0.00 C ATOM 0 H ILE A 30 -12.570 -69.076 17.959 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.315 -68.948 18.975 1.00 0.00 H new ATOM 0 HB ILE A 30 -13.092 -66.876 18.784 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -12.528 -68.719 20.322 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -12.922 -67.284 21.248 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.520 -65.589 20.350 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.364 -65.882 18.811 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -15.771 -66.850 20.247 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -14.057 -69.278 22.195 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.254 -68.117 21.571 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.853 -69.574 20.631 1.00 0.00 H new ATOM 485 N ASN A 31 -16.391 -68.065 16.924 1.00 0.00 N ATOM 486 CA ASN A 31 -17.063 -67.507 15.754 1.00 0.00 C ATOM 487 C ASN A 31 -17.417 -66.039 15.976 1.00 0.00 C ATOM 488 O ASN A 31 -17.261 -65.213 15.076 1.00 0.00 O ATOM 489 CB ASN A 31 -18.333 -68.304 15.448 1.00 0.00 C ATOM 490 CG ASN A 31 -19.210 -68.388 16.692 1.00 0.00 C ATOM 491 OD1 ASN A 31 -20.188 -67.651 16.814 1.00 0.00 O ATOM 492 ND2 ASN A 31 -18.917 -69.249 17.628 1.00 0.00 N ATOM 0 H ASN A 31 -16.978 -68.661 17.508 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.380 -67.574 14.907 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.884 -67.828 14.637 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -18.070 -69.306 15.110 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.499 -69.312 18.463 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.106 -69.859 17.524 1.00 0.00 H new ATOM 499 N ASP A 32 -17.896 -65.717 17.173 1.00 0.00 N ATOM 500 CA ASP A 32 -18.265 -64.340 17.486 1.00 0.00 C ATOM 501 C ASP A 32 -17.133 -63.388 17.113 1.00 0.00 C ATOM 502 O ASP A 32 -16.250 -63.110 17.925 1.00 0.00 O ATOM 503 CB ASP A 32 -18.580 -64.205 18.977 1.00 0.00 C ATOM 504 CG ASP A 32 -19.233 -65.484 19.489 1.00 0.00 C ATOM 505 OD1 ASP A 32 -20.035 -66.047 18.763 1.00 0.00 O ATOM 506 OD2 ASP A 32 -18.924 -65.880 20.600 1.00 0.00 O ATOM 0 H ASP A 32 -18.037 -66.381 17.934 1.00 0.00 H new ATOM 0 HA ASP A 32 -19.151 -64.080 16.907 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.665 -64.006 19.534 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -19.244 -63.357 19.142 1.00 0.00 H new ATOM 511 N THR A 33 -17.163 -62.894 15.878 1.00 0.00 N ATOM 512 CA THR A 33 -16.130 -61.978 15.406 1.00 0.00 C ATOM 513 C THR A 33 -16.058 -60.740 16.294 1.00 0.00 C ATOM 514 O THR A 33 -14.976 -60.216 16.556 1.00 0.00 O ATOM 515 CB THR A 33 -16.423 -61.558 13.963 1.00 0.00 C ATOM 516 OG1 THR A 33 -17.726 -61.992 13.601 1.00 0.00 O ATOM 517 CG2 THR A 33 -15.394 -62.189 13.025 1.00 0.00 C ATOM 0 H THR A 33 -17.885 -63.111 15.191 1.00 0.00 H new ATOM 0 HA THR A 33 -15.171 -62.494 15.447 1.00 0.00 H new ATOM 0 HB THR A 33 -16.365 -60.473 13.882 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.916 -61.722 12.678 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.605 -61.889 11.999 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.395 -61.854 13.303 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.448 -63.275 13.103 1.00 0.00 H new ATOM 525 N GLN A 34 -17.215 -60.280 16.756 1.00 0.00 N ATOM 526 CA GLN A 34 -17.262 -59.105 17.616 1.00 0.00 C ATOM 527 C GLN A 34 -16.404 -59.330 18.854 1.00 0.00 C ATOM 528 O GLN A 34 -15.641 -58.453 19.264 1.00 0.00 O ATOM 529 CB GLN A 34 -18.708 -58.819 18.031 1.00 0.00 C ATOM 530 CG GLN A 34 -19.323 -57.793 17.074 1.00 0.00 C ATOM 531 CD GLN A 34 -20.798 -58.112 16.845 1.00 0.00 C ATOM 532 OE1 GLN A 34 -21.654 -57.242 17.004 1.00 0.00 O ATOM 533 NE2 GLN A 34 -21.145 -59.315 16.480 1.00 0.00 N ATOM 0 H GLN A 34 -18.123 -60.697 16.552 1.00 0.00 H new ATOM 0 HA GLN A 34 -16.873 -58.249 17.065 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -19.290 -59.740 18.016 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -18.736 -58.441 19.053 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -19.219 -56.790 17.487 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -18.788 -57.803 16.124 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -20.433 -60.034 16.349 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -22.128 -59.537 16.325 1.00 0.00 H new ATOM 542 N ILE A 35 -16.527 -60.515 19.441 1.00 0.00 N ATOM 543 CA ILE A 35 -15.750 -60.847 20.625 1.00 0.00 C ATOM 544 C ILE A 35 -14.272 -60.962 20.271 1.00 0.00 C ATOM 545 O ILE A 35 -13.403 -60.707 21.103 1.00 0.00 O ATOM 546 CB ILE A 35 -16.242 -62.164 21.225 1.00 0.00 C ATOM 547 CG1 ILE A 35 -17.751 -62.082 21.461 1.00 0.00 C ATOM 548 CG2 ILE A 35 -15.533 -62.417 22.557 1.00 0.00 C ATOM 549 CD1 ILE A 35 -18.069 -60.856 22.317 1.00 0.00 C ATOM 0 H ILE A 35 -17.152 -61.254 19.119 1.00 0.00 H new ATOM 0 HA ILE A 35 -15.878 -60.051 21.359 1.00 0.00 H new ATOM 0 HB ILE A 35 -16.023 -62.980 20.537 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.276 -62.019 20.508 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -18.101 -62.986 21.958 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.885 -63.356 22.984 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.457 -62.474 22.391 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.751 -61.601 23.246 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -19.144 -60.798 22.485 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -17.556 -60.938 23.275 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -17.733 -59.956 21.802 1.00 0.00 H new ATOM 561 N LEU A 36 -13.995 -61.342 19.026 1.00 0.00 N ATOM 562 CA LEU A 36 -12.616 -61.479 18.574 1.00 0.00 C ATOM 563 C LEU A 36 -11.957 -60.110 18.477 1.00 0.00 C ATOM 564 O LEU A 36 -10.882 -59.887 19.031 1.00 0.00 O ATOM 565 CB LEU A 36 -12.569 -62.167 17.206 1.00 0.00 C ATOM 566 CG LEU A 36 -13.108 -63.593 17.325 1.00 0.00 C ATOM 567 CD1 LEU A 36 -13.169 -64.234 15.937 1.00 0.00 C ATOM 568 CD2 LEU A 36 -12.182 -64.419 18.221 1.00 0.00 C ATOM 0 H LEU A 36 -14.699 -61.558 18.320 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.076 -62.088 19.298 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.161 -61.604 16.485 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.545 -62.185 16.833 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.107 -63.565 17.760 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.553 -65.250 16.022 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.828 -63.650 15.295 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.169 -64.259 15.504 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.568 -65.435 18.305 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.183 -64.445 17.786 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.135 -63.966 19.211 1.00 0.00 H new ATOM 580 N GLN A 37 -12.615 -59.192 17.776 1.00 0.00 N ATOM 581 CA GLN A 37 -12.085 -57.845 17.626 1.00 0.00 C ATOM 582 C GLN A 37 -11.774 -57.261 18.998 1.00 0.00 C ATOM 583 O GLN A 37 -10.895 -56.411 19.141 1.00 0.00 O ATOM 584 CB GLN A 37 -13.100 -56.959 16.903 1.00 0.00 C ATOM 585 CG GLN A 37 -13.573 -57.662 15.629 1.00 0.00 C ATOM 586 CD GLN A 37 -12.968 -56.987 14.402 1.00 0.00 C ATOM 587 OE1 GLN A 37 -11.886 -56.406 14.483 1.00 0.00 O ATOM 588 NE2 GLN A 37 -13.606 -57.026 13.264 1.00 0.00 N ATOM 0 H GLN A 37 -13.507 -59.355 17.308 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.169 -57.886 17.036 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.949 -56.754 17.555 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.649 -55.998 16.655 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.284 -58.713 15.655 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.661 -57.632 15.571 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.503 -57.508 13.198 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.208 -56.575 12.440 1.00 0.00 H new ATOM 597 N GLN A 38 -12.500 -57.737 20.007 1.00 0.00 N ATOM 598 CA GLN A 38 -12.297 -57.272 21.372 1.00 0.00 C ATOM 599 C GLN A 38 -11.082 -57.957 21.990 1.00 0.00 C ATOM 600 O GLN A 38 -10.453 -57.423 22.904 1.00 0.00 O ATOM 601 CB GLN A 38 -13.538 -57.574 22.216 1.00 0.00 C ATOM 602 CG GLN A 38 -14.583 -56.478 22.000 1.00 0.00 C ATOM 603 CD GLN A 38 -14.425 -55.394 23.061 1.00 0.00 C ATOM 604 OE1 GLN A 38 -15.407 -54.977 23.675 1.00 0.00 O ATOM 605 NE2 GLN A 38 -13.240 -54.909 23.313 1.00 0.00 N ATOM 0 H GLN A 38 -13.230 -58.441 19.903 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.126 -56.196 21.351 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -13.951 -58.544 21.940 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.268 -57.631 23.271 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -14.469 -56.046 21.006 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -15.585 -56.904 22.049 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.428 -55.256 22.803 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.126 -54.183 24.020 1.00 0.00 H new ATOM 614 N ALA A 39 -10.755 -59.142 21.481 1.00 0.00 N ATOM 615 CA ALA A 39 -9.612 -59.891 21.985 1.00 0.00 C ATOM 616 C ALA A 39 -8.317 -59.330 21.407 1.00 0.00 C ATOM 617 O ALA A 39 -7.311 -59.219 22.106 1.00 0.00 O ATOM 618 CB ALA A 39 -9.745 -61.368 21.612 1.00 0.00 C ATOM 0 H ALA A 39 -11.263 -59.600 20.725 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.587 -59.797 23.071 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.885 -61.919 21.994 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.658 -61.773 22.049 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.787 -61.467 20.527 1.00 0.00 H new ATOM 624 N LEU A 40 -8.355 -58.974 20.128 1.00 0.00 N ATOM 625 CA LEU A 40 -7.182 -58.421 19.462 1.00 0.00 C ATOM 626 C LEU A 40 -6.929 -56.996 19.947 1.00 0.00 C ATOM 627 O LEU A 40 -5.791 -56.530 19.987 1.00 0.00 O ATOM 628 CB LEU A 40 -7.396 -58.461 17.935 1.00 0.00 C ATOM 629 CG LEU A 40 -6.721 -57.275 17.223 1.00 0.00 C ATOM 630 CD1 LEU A 40 -7.451 -55.972 17.558 1.00 0.00 C ATOM 631 CD2 LEU A 40 -5.249 -57.166 17.637 1.00 0.00 C ATOM 0 H LEU A 40 -9.180 -59.058 19.534 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.303 -59.018 19.705 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.998 -59.395 17.538 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.464 -58.452 17.719 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.772 -57.447 16.148 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.964 -55.141 17.048 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.488 -56.041 17.230 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.422 -55.805 18.635 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.788 -56.322 17.124 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.184 -57.015 18.714 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.726 -58.084 17.368 1.00 0.00 H new ATOM 643 N LYS A 41 -8.002 -56.307 20.324 1.00 0.00 N ATOM 644 CA LYS A 41 -7.886 -54.936 20.807 1.00 0.00 C ATOM 645 C LYS A 41 -7.204 -54.899 22.172 1.00 0.00 C ATOM 646 O LYS A 41 -6.334 -54.063 22.419 1.00 0.00 O ATOM 647 CB LYS A 41 -9.275 -54.302 20.905 1.00 0.00 C ATOM 648 CG LYS A 41 -9.149 -52.778 20.840 1.00 0.00 C ATOM 649 CD LYS A 41 -9.353 -52.309 19.397 1.00 0.00 C ATOM 650 CE LYS A 41 -10.845 -52.098 19.133 1.00 0.00 C ATOM 651 NZ LYS A 41 -11.247 -50.741 19.600 1.00 0.00 N ATOM 0 H LYS A 41 -8.954 -56.672 20.305 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.277 -54.371 20.101 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.907 -54.660 20.092 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.756 -54.598 21.837 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.888 -52.313 21.492 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.168 -52.468 21.199 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.808 -51.381 19.225 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.951 -53.048 18.703 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.055 -52.205 18.069 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.428 -52.860 19.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.261 -50.598 19.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.061 -50.655 20.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.700 -50.021 19.087 1.00 0.00 H new ATOM 665 N ASP A 42 -7.605 -55.808 23.055 1.00 0.00 N ATOM 666 CA ASP A 42 -7.028 -55.870 24.393 1.00 0.00 C ATOM 667 C ASP A 42 -5.624 -56.467 24.350 1.00 0.00 C ATOM 668 O ASP A 42 -4.838 -56.294 25.281 1.00 0.00 O ATOM 669 CB ASP A 42 -7.916 -56.721 25.305 1.00 0.00 C ATOM 670 CG ASP A 42 -9.257 -56.029 25.520 1.00 0.00 C ATOM 671 OD1 ASP A 42 -9.979 -55.865 24.550 1.00 0.00 O ATOM 672 OD2 ASP A 42 -9.541 -55.671 26.651 1.00 0.00 O ATOM 0 H ASP A 42 -8.323 -56.508 22.870 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.966 -54.855 24.786 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.072 -57.704 24.860 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.421 -56.879 26.263 1.00 0.00 H new ATOM 677 N SER A 43 -5.318 -57.173 23.267 1.00 0.00 N ATOM 678 CA SER A 43 -4.005 -57.795 23.117 1.00 0.00 C ATOM 679 C SER A 43 -2.984 -56.792 22.589 1.00 0.00 C ATOM 680 O SER A 43 -1.799 -56.878 22.904 1.00 0.00 O ATOM 681 CB SER A 43 -4.098 -58.981 22.158 1.00 0.00 C ATOM 682 OG SER A 43 -3.295 -58.724 21.015 1.00 0.00 O ATOM 0 H SER A 43 -5.954 -57.329 22.485 1.00 0.00 H new ATOM 0 HA SER A 43 -3.678 -58.141 24.098 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.764 -59.892 22.654 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.134 -59.142 21.860 1.00 0.00 H new ATOM 0 HG SER A 43 -3.337 -59.491 20.407 1.00 0.00 H new ATOM 688 N ASN A 44 -3.454 -55.839 21.790 1.00 0.00 N ATOM 689 CA ASN A 44 -2.574 -54.819 21.227 1.00 0.00 C ATOM 690 C ASN A 44 -1.825 -55.352 20.004 1.00 0.00 C ATOM 691 O ASN A 44 -0.764 -54.842 19.645 1.00 0.00 O ATOM 692 CB ASN A 44 -1.580 -54.339 22.299 1.00 0.00 C ATOM 693 CG ASN A 44 -0.170 -54.856 22.012 1.00 0.00 C ATOM 694 OD1 ASN A 44 0.142 -56.011 22.301 1.00 0.00 O ATOM 695 ND2 ASN A 44 0.705 -54.061 21.459 1.00 0.00 N ATOM 0 H ASN A 44 -4.433 -55.751 21.519 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.185 -53.976 20.903 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.572 -53.249 22.330 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.904 -54.684 23.281 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.649 -54.397 21.266 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.445 -53.104 21.220 1.00 0.00 H new ATOM 702 N GLY A 45 -2.382 -56.377 19.361 1.00 0.00 N ATOM 703 CA GLY A 45 -1.747 -56.955 18.181 1.00 0.00 C ATOM 704 C GLY A 45 -1.044 -58.261 18.530 1.00 0.00 C ATOM 705 O GLY A 45 -0.325 -58.832 17.710 1.00 0.00 O ATOM 0 H GLY A 45 -3.260 -56.819 19.634 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.497 -57.135 17.410 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.027 -56.249 17.767 1.00 0.00 H new ATOM 709 N ASN A 46 -1.271 -58.730 19.750 1.00 0.00 N ATOM 710 CA ASN A 46 -0.674 -59.977 20.209 1.00 0.00 C ATOM 711 C ASN A 46 -1.679 -61.114 20.024 1.00 0.00 C ATOM 712 O ASN A 46 -2.845 -60.986 20.398 1.00 0.00 O ATOM 713 CB ASN A 46 -0.269 -59.840 21.675 1.00 0.00 C ATOM 714 CG ASN A 46 0.973 -58.960 21.787 1.00 0.00 C ATOM 715 OD1 ASN A 46 1.088 -57.957 21.084 1.00 0.00 O ATOM 716 ND2 ASN A 46 1.913 -59.279 22.633 1.00 0.00 N ATOM 0 H ASN A 46 -1.863 -58.266 20.439 1.00 0.00 H new ATOM 0 HA ASN A 46 0.219 -60.202 19.626 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.087 -59.405 22.249 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.069 -60.824 22.100 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.746 -58.696 22.713 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.815 -60.111 23.215 1.00 0.00 H new ATOM 723 N LEU A 47 -1.233 -62.212 19.415 1.00 0.00 N ATOM 724 CA LEU A 47 -2.129 -63.340 19.150 1.00 0.00 C ATOM 725 C LEU A 47 -2.268 -64.255 20.360 1.00 0.00 C ATOM 726 O LEU A 47 -3.358 -64.392 20.912 1.00 0.00 O ATOM 727 CB LEU A 47 -1.608 -64.146 17.959 1.00 0.00 C ATOM 728 CG LEU A 47 -2.789 -64.694 17.153 1.00 0.00 C ATOM 729 CD1 LEU A 47 -3.757 -65.424 18.087 1.00 0.00 C ATOM 730 CD2 LEU A 47 -3.522 -63.538 16.468 1.00 0.00 C ATOM 0 H LEU A 47 -0.272 -62.346 19.100 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.114 -62.931 18.925 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.984 -63.516 17.326 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.981 -64.967 18.309 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.417 -65.389 16.400 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.596 -65.813 17.510 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.239 -66.250 18.575 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.126 -64.730 18.842 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.362 -63.929 15.895 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.890 -62.842 17.222 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.837 -63.018 15.799 1.00 0.00 H new ATOM 742 N GLU A 48 -1.170 -64.876 20.781 1.00 0.00 N ATOM 743 CA GLU A 48 -1.233 -65.759 21.937 1.00 0.00 C ATOM 744 C GLU A 48 -2.024 -65.075 23.032 1.00 0.00 C ATOM 745 O GLU A 48 -2.560 -65.715 23.937 1.00 0.00 O ATOM 746 CB GLU A 48 0.166 -66.079 22.451 1.00 0.00 C ATOM 747 CG GLU A 48 0.104 -67.340 23.310 1.00 0.00 C ATOM 748 CD GLU A 48 1.453 -67.581 23.980 1.00 0.00 C ATOM 749 OE1 GLU A 48 1.941 -66.669 24.629 1.00 0.00 O ATOM 750 OE2 GLU A 48 1.979 -68.673 23.834 1.00 0.00 O ATOM 0 H GLU A 48 -0.249 -64.787 20.351 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.715 -66.692 21.644 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.850 -66.226 21.615 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.552 -65.244 23.035 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.674 -67.237 24.067 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.163 -68.198 22.693 1.00 0.00 H new ATOM 757 N LEU A 49 -2.083 -63.758 22.928 1.00 0.00 N ATOM 758 CA LEU A 49 -2.799 -62.947 23.891 1.00 0.00 C ATOM 759 C LEU A 49 -4.266 -62.851 23.512 1.00 0.00 C ATOM 760 O LEU A 49 -5.138 -62.969 24.365 1.00 0.00 O ATOM 761 CB LEU A 49 -2.180 -61.555 23.933 1.00 0.00 C ATOM 762 CG LEU A 49 -0.833 -61.632 24.648 1.00 0.00 C ATOM 763 CD1 LEU A 49 -1.073 -61.920 26.128 1.00 0.00 C ATOM 764 CD2 LEU A 49 0.009 -62.763 24.042 1.00 0.00 C ATOM 0 H LEU A 49 -1.639 -63.227 22.179 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.726 -63.409 24.875 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.048 -61.171 22.922 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.843 -60.863 24.453 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.303 -60.687 24.533 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.116 -61.977 26.647 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.674 -61.121 26.561 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.600 -62.868 26.233 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.970 -62.816 24.554 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.517 -63.711 24.159 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.173 -62.567 22.982 1.00 0.00 H new ATOM 776 N ALA A 50 -4.534 -62.652 22.223 1.00 0.00 N ATOM 777 CA ALA A 50 -5.909 -62.563 21.756 1.00 0.00 C ATOM 778 C ALA A 50 -6.628 -63.874 22.056 1.00 0.00 C ATOM 779 O ALA A 50 -7.635 -63.890 22.763 1.00 0.00 O ATOM 780 CB ALA A 50 -5.943 -62.263 20.256 1.00 0.00 C ATOM 0 H ALA A 50 -3.826 -62.551 21.495 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.416 -61.750 22.275 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.978 -62.199 19.921 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.440 -61.315 20.063 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.435 -63.060 19.714 1.00 0.00 H new ATOM 786 N VAL A 51 -6.082 -64.982 21.551 1.00 0.00 N ATOM 787 CA VAL A 51 -6.669 -66.285 21.821 1.00 0.00 C ATOM 788 C VAL A 51 -6.891 -66.422 23.309 1.00 0.00 C ATOM 789 O VAL A 51 -8.020 -66.500 23.788 1.00 0.00 O ATOM 790 CB VAL A 51 -5.722 -67.402 21.386 1.00 0.00 C ATOM 791 CG1 VAL A 51 -4.279 -67.043 21.739 1.00 0.00 C ATOM 792 CG2 VAL A 51 -6.117 -68.697 22.103 1.00 0.00 C ATOM 0 H VAL A 51 -5.249 -64.999 20.963 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.607 -66.364 21.271 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.795 -67.535 20.307 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.616 -67.848 21.423 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.998 -66.121 21.230 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.192 -66.903 22.816 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.446 -69.501 21.799 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.045 -68.553 23.181 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.142 -68.960 21.840 1.00 0.00 H new ATOM 802 N ALA A 52 -5.783 -66.436 24.026 1.00 0.00 N ATOM 803 CA ALA A 52 -5.808 -66.548 25.464 1.00 0.00 C ATOM 804 C ALA A 52 -6.853 -65.600 26.044 1.00 0.00 C ATOM 805 O ALA A 52 -7.610 -65.970 26.934 1.00 0.00 O ATOM 806 CB ALA A 52 -4.420 -66.216 25.999 1.00 0.00 C ATOM 0 H ALA A 52 -4.847 -66.370 23.626 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.077 -67.563 25.758 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.420 -66.296 27.086 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.693 -66.915 25.584 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.152 -65.200 25.710 1.00 0.00 H new ATOM 812 N PHE A 53 -6.911 -64.384 25.513 1.00 0.00 N ATOM 813 CA PHE A 53 -7.896 -63.412 25.980 1.00 0.00 C ATOM 814 C PHE A 53 -9.289 -64.020 25.880 1.00 0.00 C ATOM 815 O PHE A 53 -10.181 -63.706 26.669 1.00 0.00 O ATOM 816 CB PHE A 53 -7.835 -62.146 25.124 1.00 0.00 C ATOM 817 CG PHE A 53 -7.249 -61.000 25.915 1.00 0.00 C ATOM 818 CD1 PHE A 53 -7.935 -60.488 27.023 1.00 0.00 C ATOM 819 CD2 PHE A 53 -6.021 -60.441 25.534 1.00 0.00 C ATOM 820 CE1 PHE A 53 -7.394 -59.419 27.749 1.00 0.00 C ATOM 821 CE2 PHE A 53 -5.481 -59.372 26.259 1.00 0.00 C ATOM 822 CZ PHE A 53 -6.167 -58.862 27.368 1.00 0.00 C ATOM 0 H PHE A 53 -6.298 -64.050 24.770 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.677 -63.152 27.016 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.230 -62.329 24.236 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.836 -61.884 24.780 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.881 -60.917 27.318 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.491 -60.836 24.680 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.924 -59.024 28.603 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.536 -58.941 25.963 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.750 -58.039 27.929 1.00 0.00 H new ATOM 832 N LEU A 54 -9.459 -64.894 24.894 1.00 0.00 N ATOM 833 CA LEU A 54 -10.735 -65.557 24.671 1.00 0.00 C ATOM 834 C LEU A 54 -10.828 -66.823 25.516 1.00 0.00 C ATOM 835 O LEU A 54 -11.804 -67.027 26.238 1.00 0.00 O ATOM 836 CB LEU A 54 -10.872 -65.891 23.186 1.00 0.00 C ATOM 837 CG LEU A 54 -10.946 -64.572 22.396 1.00 0.00 C ATOM 838 CD1 LEU A 54 -10.122 -64.671 21.112 1.00 0.00 C ATOM 839 CD2 LEU A 54 -12.399 -64.259 22.034 1.00 0.00 C ATOM 0 H LEU A 54 -8.726 -65.159 24.236 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.548 -64.893 24.967 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.023 -66.486 22.851 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.768 -66.488 23.013 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.543 -63.776 23.022 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.185 -63.730 20.566 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.081 -64.876 21.363 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.511 -65.478 20.491 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.441 -63.324 21.475 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.804 -65.066 21.423 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.989 -64.164 22.946 1.00 0.00 H new ATOM 851 N THR A 55 -9.798 -67.657 25.438 1.00 0.00 N ATOM 852 CA THR A 55 -9.764 -68.885 26.220 1.00 0.00 C ATOM 853 C THR A 55 -9.649 -68.530 27.696 1.00 0.00 C ATOM 854 O THR A 55 -10.419 -69.006 28.529 1.00 0.00 O ATOM 855 CB THR A 55 -8.567 -69.745 25.803 1.00 0.00 C ATOM 856 OG1 THR A 55 -7.383 -69.212 26.379 1.00 0.00 O ATOM 857 CG2 THR A 55 -8.435 -69.748 24.278 1.00 0.00 C ATOM 0 H THR A 55 -8.981 -67.507 24.846 1.00 0.00 H new ATOM 0 HA THR A 55 -10.679 -69.450 26.044 1.00 0.00 H new ATOM 0 HB THR A 55 -8.718 -70.767 26.151 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.615 -69.761 26.115 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.582 -70.361 23.988 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.343 -70.157 23.835 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.286 -68.728 23.924 1.00 0.00 H new ATOM 1533 N ASP A 101 37.593 -6.514 -4.216 1.00 0.00 N ATOM 1534 CA ASP A 101 38.272 -5.557 -3.351 1.00 0.00 C ATOM 1535 C ASP A 101 39.645 -6.088 -2.950 1.00 0.00 C ATOM 1536 O ASP A 101 40.601 -5.323 -2.794 1.00 0.00 O ATOM 1537 CB ASP A 101 37.432 -5.289 -2.099 1.00 0.00 C ATOM 1538 CG ASP A 101 37.830 -6.247 -0.981 1.00 0.00 C ATOM 1539 OD1 ASP A 101 38.740 -5.913 -0.238 1.00 0.00 O ATOM 1540 OD2 ASP A 101 37.222 -7.300 -0.884 1.00 0.00 O ATOM 0 HA ASP A 101 38.401 -4.624 -3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 101 37.573 -4.259 -1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 101 36.374 -5.408 -2.330 1.00 0.00 H new ATOM 1545 N LEU A 102 39.744 -7.403 -2.790 1.00 0.00 N ATOM 1546 CA LEU A 102 41.012 -8.005 -2.413 1.00 0.00 C ATOM 1547 C LEU A 102 42.082 -7.600 -3.403 1.00 0.00 C ATOM 1548 O LEU A 102 43.240 -7.397 -3.039 1.00 0.00 O ATOM 1549 CB LEU A 102 40.892 -9.530 -2.356 1.00 0.00 C ATOM 1550 CG LEU A 102 40.489 -9.958 -0.945 1.00 0.00 C ATOM 1551 CD1 LEU A 102 41.633 -9.663 0.026 1.00 0.00 C ATOM 1552 CD2 LEU A 102 39.243 -9.180 -0.512 1.00 0.00 C ATOM 0 H LEU A 102 38.974 -8.061 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 102 41.288 -7.649 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 102 40.151 -9.874 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 102 41.841 -9.990 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 102 40.273 -11.026 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 102 41.345 -9.969 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 102 42.522 -10.215 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 102 41.849 -8.595 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 102 38.955 -9.485 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 102 39.460 -8.112 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 102 38.426 -9.389 -1.202 1.00 0.00 H new ATOM 1564 N GLN A 103 41.672 -7.449 -4.647 1.00 0.00 N ATOM 1565 CA GLN A 103 42.589 -7.023 -5.688 1.00 0.00 C ATOM 1566 C GLN A 103 43.229 -5.720 -5.251 1.00 0.00 C ATOM 1567 O GLN A 103 44.286 -5.319 -5.744 1.00 0.00 O ATOM 1568 CB GLN A 103 41.823 -6.798 -6.989 1.00 0.00 C ATOM 1569 CG GLN A 103 42.732 -7.095 -8.183 1.00 0.00 C ATOM 1570 CD GLN A 103 42.885 -8.601 -8.361 1.00 0.00 C ATOM 1571 OE1 GLN A 103 41.890 -9.326 -8.415 1.00 0.00 O ATOM 1572 NE2 GLN A 103 44.079 -9.120 -8.457 1.00 0.00 N ATOM 0 H GLN A 103 40.716 -7.614 -4.961 1.00 0.00 H new ATOM 0 HA GLN A 103 43.350 -7.786 -5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 103 40.944 -7.442 -7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 103 41.466 -5.769 -7.039 1.00 0.00 H new ATOM 0 HG2 GLN A 103 42.313 -6.654 -9.088 1.00 0.00 H new ATOM 0 HG3 GLN A 103 43.709 -6.638 -8.029 1.00 0.00 H new ATOM 0 HE21 GLN A 103 44.902 -8.519 -8.412 1.00 0.00 H new ATOM 0 HE22 GLN A 103 44.189 -10.127 -8.577 1.00 0.00 H new ATOM 1581 N ARG A 104 42.561 -5.071 -4.307 1.00 0.00 N ATOM 1582 CA ARG A 104 43.029 -3.802 -3.771 1.00 0.00 C ATOM 1583 C ARG A 104 44.017 -4.038 -2.639 1.00 0.00 C ATOM 1584 O ARG A 104 44.942 -3.253 -2.431 1.00 0.00 O ATOM 1585 CB ARG A 104 41.837 -2.998 -3.250 1.00 0.00 C ATOM 1586 CG ARG A 104 42.209 -1.517 -3.162 1.00 0.00 C ATOM 1587 CD ARG A 104 40.983 -0.714 -2.727 1.00 0.00 C ATOM 1588 NE ARG A 104 41.086 0.663 -3.194 1.00 0.00 N ATOM 1589 CZ ARG A 104 40.495 1.657 -2.539 1.00 0.00 C ATOM 1590 NH1 ARG A 104 39.814 1.407 -1.453 1.00 0.00 N ATOM 1591 NH2 ARG A 104 40.595 2.880 -2.981 1.00 0.00 N ATOM 0 H ARG A 104 41.689 -5.405 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 104 43.529 -3.246 -4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 104 40.981 -3.129 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 104 41.539 -3.366 -2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 104 43.022 -1.376 -2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 104 42.567 -1.162 -4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 104 40.079 -1.174 -3.126 1.00 0.00 H new ATOM 0 HD3 ARG A 104 40.896 -0.731 -1.641 1.00 0.00 H new ATOM 0 HE ARG A 104 41.621 0.867 -4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 104 39.736 0.450 -1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 104 39.360 2.169 -0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 104 41.127 3.074 -3.830 1.00 0.00 H new ATOM 0 HH22 ARG A 104 40.141 3.643 -2.478 1.00 0.00 H new ATOM 1605 N ALA A 105 43.807 -5.121 -1.903 1.00 0.00 N ATOM 1606 CA ALA A 105 44.678 -5.453 -0.781 1.00 0.00 C ATOM 1607 C ALA A 105 46.123 -5.669 -1.236 1.00 0.00 C ATOM 1608 O ALA A 105 47.040 -4.999 -0.754 1.00 0.00 O ATOM 1609 CB ALA A 105 44.170 -6.719 -0.088 1.00 0.00 C ATOM 0 H ALA A 105 43.046 -5.782 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 105 44.661 -4.614 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.824 -6.963 0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.157 -6.551 0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 105 44.166 -7.546 -0.798 1.00 0.00 H new ATOM 1615 N ILE A 106 46.327 -6.613 -2.155 1.00 0.00 N ATOM 1616 CA ILE A 106 47.678 -6.903 -2.636 1.00 0.00 C ATOM 1617 C ILE A 106 48.173 -5.815 -3.568 1.00 0.00 C ATOM 1618 O ILE A 106 49.366 -5.523 -3.626 1.00 0.00 O ATOM 1619 CB ILE A 106 47.737 -8.259 -3.349 1.00 0.00 C ATOM 1620 CG1 ILE A 106 46.327 -8.731 -3.715 1.00 0.00 C ATOM 1621 CG2 ILE A 106 48.391 -9.293 -2.431 1.00 0.00 C ATOM 1622 CD1 ILE A 106 45.758 -7.835 -4.814 1.00 0.00 C ATOM 0 H ILE A 106 45.590 -7.180 -2.575 1.00 0.00 H new ATOM 0 HA ILE A 106 48.328 -6.940 -1.762 1.00 0.00 H new ATOM 0 HB ILE A 106 48.324 -8.149 -4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 106 46.355 -9.767 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 106 45.683 -8.701 -2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 106 48.432 -10.256 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 106 49.402 -8.971 -2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 106 47.805 -9.390 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 106 44.754 -8.171 -5.074 1.00 0.00 H new ATOM 0 HD12 ILE A 106 45.715 -6.806 -4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 106 46.398 -7.888 -5.695 1.00 0.00 H new ATOM 1634 N ALA A 107 47.251 -5.221 -4.291 1.00 0.00 N ATOM 1635 CA ALA A 107 47.595 -4.159 -5.222 1.00 0.00 C ATOM 1636 C ALA A 107 48.197 -2.975 -4.473 1.00 0.00 C ATOM 1637 O ALA A 107 49.280 -2.493 -4.814 1.00 0.00 O ATOM 1638 CB ALA A 107 46.349 -3.706 -5.984 1.00 0.00 C ATOM 0 H ALA A 107 46.258 -5.451 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 107 48.330 -4.542 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 107 46.617 -2.910 -6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 107 45.935 -4.548 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 107 45.605 -3.336 -5.278 1.00 0.00 H new ATOM 1644 N LEU A 108 47.488 -2.511 -3.448 1.00 0.00 N ATOM 1645 CA LEU A 108 47.956 -1.382 -2.655 1.00 0.00 C ATOM 1646 C LEU A 108 49.327 -1.670 -2.050 1.00 0.00 C ATOM 1647 O LEU A 108 50.176 -0.782 -1.973 1.00 0.00 O ATOM 1648 CB LEU A 108 46.961 -1.081 -1.533 1.00 0.00 C ATOM 1649 CG LEU A 108 46.065 0.089 -1.941 1.00 0.00 C ATOM 1650 CD1 LEU A 108 45.519 -0.151 -3.350 1.00 0.00 C ATOM 1651 CD2 LEU A 108 44.898 0.203 -0.958 1.00 0.00 C ATOM 0 H LEU A 108 46.593 -2.898 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 108 48.039 -0.518 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 108 46.354 -1.962 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 108 47.496 -0.839 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 108 46.646 1.011 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 108 44.880 0.684 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 108 46.348 -0.234 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 108 44.939 -1.074 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 108 44.258 1.037 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 108 44.319 -0.720 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 108 45.284 0.374 0.047 1.00 0.00 H new ATOM 1663 N SER A 109 49.536 -2.908 -1.611 1.00 0.00 N ATOM 1664 CA SER A 109 50.811 -3.278 -1.006 1.00 0.00 C ATOM 1665 C SER A 109 51.912 -3.368 -2.054 1.00 0.00 C ATOM 1666 O SER A 109 52.948 -2.714 -1.934 1.00 0.00 O ATOM 1667 CB SER A 109 50.680 -4.613 -0.274 1.00 0.00 C ATOM 1668 OG SER A 109 51.312 -4.517 0.995 1.00 0.00 O ATOM 0 H SER A 109 48.850 -3.662 -1.661 1.00 0.00 H new ATOM 0 HA SER A 109 51.082 -2.501 -0.292 1.00 0.00 H new ATOM 0 HB2 SER A 109 49.628 -4.871 -0.151 1.00 0.00 H new ATOM 0 HB3 SER A 109 51.137 -5.409 -0.861 1.00 0.00 H new ATOM 0 HG SER A 109 51.228 -5.371 1.468 1.00 0.00 H new ATOM 1674 N LEU A 110 51.683 -4.167 -3.086 1.00 0.00 N ATOM 1675 CA LEU A 110 52.673 -4.309 -4.142 1.00 0.00 C ATOM 1676 C LEU A 110 53.150 -2.929 -4.565 1.00 0.00 C ATOM 1677 O LEU A 110 54.203 -2.779 -5.185 1.00 0.00 O ATOM 1678 CB LEU A 110 52.056 -5.031 -5.340 1.00 0.00 C ATOM 1679 CG LEU A 110 52.692 -6.415 -5.485 1.00 0.00 C ATOM 1680 CD1 LEU A 110 54.179 -6.266 -5.820 1.00 0.00 C ATOM 1681 CD2 LEU A 110 52.540 -7.185 -4.170 1.00 0.00 C ATOM 0 H LEU A 110 50.835 -4.719 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 110 53.517 -4.893 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 110 50.979 -5.127 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 110 52.213 -4.450 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 110 52.194 -6.960 -6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 110 54.630 -7.253 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 110 54.288 -5.718 -6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 110 54.679 -5.720 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 110 52.993 -8.171 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 110 53.037 -6.638 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 110 51.482 -7.294 -3.932 1.00 0.00 H new ATOM 1693 N ALA A 111 52.361 -1.923 -4.209 1.00 0.00 N ATOM 1694 CA ALA A 111 52.699 -0.544 -4.540 1.00 0.00 C ATOM 1695 C ALA A 111 53.612 0.042 -3.482 1.00 0.00 C ATOM 1696 O ALA A 111 54.636 0.646 -3.799 1.00 0.00 O ATOM 1697 CB ALA A 111 51.428 0.295 -4.642 1.00 0.00 C ATOM 0 H ALA A 111 51.488 -2.034 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 111 53.216 -0.533 -5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 111 51.690 1.324 -4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 111 50.784 -0.113 -5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 111 50.901 0.274 -3.688 1.00 0.00 H new ATOM 1703 N GLU A 112 53.243 -0.144 -2.224 1.00 0.00 N ATOM 1704 CA GLU A 112 54.047 0.376 -1.137 1.00 0.00 C ATOM 1705 C GLU A 112 55.515 0.069 -1.401 1.00 0.00 C ATOM 1706 O GLU A 112 56.407 0.733 -0.874 1.00 0.00 O ATOM 1707 CB GLU A 112 53.615 -0.257 0.186 1.00 0.00 C ATOM 1708 CG GLU A 112 52.204 0.218 0.539 1.00 0.00 C ATOM 1709 CD GLU A 112 52.260 1.201 1.703 1.00 0.00 C ATOM 1710 OE1 GLU A 112 53.267 1.877 1.835 1.00 0.00 O ATOM 1711 OE2 GLU A 112 51.295 1.262 2.447 1.00 0.00 O ATOM 0 H GLU A 112 52.402 -0.645 -1.936 1.00 0.00 H new ATOM 0 HA GLU A 112 53.907 1.455 -1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 112 53.635 -1.344 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 112 54.312 0.017 0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 112 51.744 0.694 -0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 112 51.580 -0.636 0.803 1.00 0.00 H new ATOM 1718 N SER A 113 55.752 -0.947 -2.227 1.00 0.00 N ATOM 1719 CA SER A 113 57.116 -1.341 -2.562 1.00 0.00 C ATOM 1720 C SER A 113 57.612 -0.650 -3.828 1.00 0.00 C ATOM 1721 O SER A 113 58.669 -0.018 -3.825 1.00 0.00 O ATOM 1722 CB SER A 113 57.192 -2.857 -2.743 1.00 0.00 C ATOM 1723 OG SER A 113 56.982 -3.490 -1.487 1.00 0.00 O ATOM 0 H SER A 113 55.025 -1.507 -2.672 1.00 0.00 H new ATOM 0 HA SER A 113 57.759 -1.033 -1.737 1.00 0.00 H new ATOM 0 HB2 SER A 113 56.441 -3.188 -3.460 1.00 0.00 H new ATOM 0 HB3 SER A 113 58.164 -3.139 -3.147 1.00 0.00 H new ATOM 0 HG SER A 113 57.028 -4.462 -1.599 1.00 0.00 H new ATOM 1902 N GLU A 125 66.884 17.566 -10.967 1.00 0.00 N ATOM 1903 CA GLU A 125 66.682 18.376 -12.164 1.00 0.00 C ATOM 1904 C GLU A 125 67.378 19.726 -12.020 1.00 0.00 C ATOM 1905 O GLU A 125 68.176 20.118 -12.872 1.00 0.00 O ATOM 1906 CB GLU A 125 65.187 18.593 -12.405 1.00 0.00 C ATOM 1907 CG GLU A 125 64.399 18.156 -11.169 1.00 0.00 C ATOM 1908 CD GLU A 125 64.352 16.633 -11.093 1.00 0.00 C ATOM 1909 OE1 GLU A 125 64.147 16.015 -12.125 1.00 0.00 O ATOM 1910 OE2 GLU A 125 64.522 16.108 -10.006 1.00 0.00 O ATOM 0 HA GLU A 125 67.112 17.846 -13.014 1.00 0.00 H new ATOM 0 HB2 GLU A 125 64.992 19.644 -12.620 1.00 0.00 H new ATOM 0 HB3 GLU A 125 64.862 18.023 -13.276 1.00 0.00 H new ATOM 0 HG2 GLU A 125 64.864 18.559 -10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 125 63.387 18.558 -11.212 1.00 0.00 H new ATOM 1917 N GLU A 126 67.068 20.434 -10.938 1.00 0.00 N ATOM 1918 CA GLU A 126 67.669 21.740 -10.694 1.00 0.00 C ATOM 1919 C GLU A 126 69.191 21.641 -10.718 1.00 0.00 C ATOM 1920 O GLU A 126 69.868 22.474 -11.321 1.00 0.00 O ATOM 1921 CB GLU A 126 67.214 22.279 -9.337 1.00 0.00 C ATOM 1922 CG GLU A 126 67.592 23.756 -9.222 1.00 0.00 C ATOM 1923 CD GLU A 126 66.467 24.626 -9.771 1.00 0.00 C ATOM 1924 OE1 GLU A 126 65.332 24.177 -9.744 1.00 0.00 O ATOM 1925 OE2 GLU A 126 66.754 25.727 -10.208 1.00 0.00 O ATOM 0 H GLU A 126 66.409 20.128 -10.222 1.00 0.00 H new ATOM 0 HA GLU A 126 67.347 22.420 -11.482 1.00 0.00 H new ATOM 0 HB2 GLU A 126 66.136 22.159 -9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 126 67.680 21.710 -8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 126 67.784 24.011 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 126 68.513 23.948 -9.772 1.00 0.00 H new ATOM 1932 N GLN A 127 69.723 20.617 -10.058 1.00 0.00 N ATOM 1933 CA GLN A 127 71.167 20.418 -10.011 1.00 0.00 C ATOM 1934 C GLN A 127 71.711 20.114 -11.403 1.00 0.00 C ATOM 1935 O GLN A 127 72.847 20.460 -11.725 1.00 0.00 O ATOM 1936 CB GLN A 127 71.503 19.265 -9.064 1.00 0.00 C ATOM 1937 CG GLN A 127 70.655 19.389 -7.795 1.00 0.00 C ATOM 1938 CD GLN A 127 70.944 20.716 -7.104 1.00 0.00 C ATOM 1939 OE1 GLN A 127 70.025 21.376 -6.617 1.00 0.00 O ATOM 1940 NE2 GLN A 127 72.173 21.148 -7.030 1.00 0.00 N ATOM 0 H GLN A 127 69.181 19.917 -9.552 1.00 0.00 H new ATOM 0 HA GLN A 127 71.631 21.334 -9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 127 71.310 18.310 -9.552 1.00 0.00 H new ATOM 0 HB3 GLN A 127 72.563 19.285 -8.810 1.00 0.00 H new ATOM 0 HG2 GLN A 127 69.597 19.323 -8.047 1.00 0.00 H new ATOM 0 HG3 GLN A 127 70.874 18.562 -7.119 1.00 0.00 H new ATOM 0 HE21 GLN A 127 72.932 20.599 -7.434 1.00 0.00 H new ATOM 0 HE22 GLN A 127 72.375 22.035 -6.568 1.00 0.00 H new ATOM 1949 N ALA A 128 70.890 19.467 -12.225 1.00 0.00 N ATOM 1950 CA ALA A 128 71.299 19.124 -13.582 1.00 0.00 C ATOM 1951 C ALA A 128 71.654 20.383 -14.364 1.00 0.00 C ATOM 1952 O ALA A 128 72.829 20.678 -14.584 1.00 0.00 O ATOM 1953 CB ALA A 128 70.171 18.378 -14.297 1.00 0.00 C ATOM 0 H ALA A 128 69.945 19.172 -11.978 1.00 0.00 H new ATOM 0 HA ALA A 128 72.178 18.482 -13.526 1.00 0.00 H new ATOM 0 HB1 ALA A 128 70.486 18.126 -15.310 1.00 0.00 H new ATOM 0 HB2 ALA A 128 69.937 17.464 -13.752 1.00 0.00 H new ATOM 0 HB3 ALA A 128 69.285 19.012 -14.340 1.00 0.00 H new ATOM 1959 N ILE A 129 70.633 21.123 -14.782 1.00 0.00 N ATOM 1960 CA ILE A 129 70.853 22.351 -15.535 1.00 0.00 C ATOM 1961 C ILE A 129 71.966 23.173 -14.894 1.00 0.00 C ATOM 1962 O ILE A 129 72.858 23.672 -15.579 1.00 0.00 O ATOM 1963 CB ILE A 129 69.566 23.176 -15.582 1.00 0.00 C ATOM 1964 CG1 ILE A 129 69.723 24.303 -16.607 1.00 0.00 C ATOM 1965 CG2 ILE A 129 69.293 23.775 -14.202 1.00 0.00 C ATOM 1966 CD1 ILE A 129 68.348 24.883 -16.945 1.00 0.00 C ATOM 0 H ILE A 129 69.653 20.896 -14.614 1.00 0.00 H new ATOM 0 HA ILE A 129 71.147 22.087 -16.551 1.00 0.00 H new ATOM 0 HB ILE A 129 68.732 22.535 -15.870 1.00 0.00 H new ATOM 0 HG12 ILE A 129 70.370 25.084 -16.208 1.00 0.00 H new ATOM 0 HG13 ILE A 129 70.201 23.923 -17.510 1.00 0.00 H new ATOM 0 HG21 ILE A 129 68.376 24.363 -14.236 1.00 0.00 H new ATOM 0 HG22 ILE A 129 69.183 22.973 -13.472 1.00 0.00 H new ATOM 0 HG23 ILE A 129 70.125 24.417 -13.913 1.00 0.00 H new ATOM 0 HD11 ILE A 129 68.461 25.685 -17.675 1.00 0.00 H new ATOM 0 HD12 ILE A 129 67.715 24.100 -17.362 1.00 0.00 H new ATOM 0 HD13 ILE A 129 67.887 25.278 -16.040 1.00 0.00 H new ATOM 1978 N SER A 130 71.907 23.306 -13.572 1.00 0.00 N ATOM 1979 CA SER A 130 72.918 24.066 -12.846 1.00 0.00 C ATOM 1980 C SER A 130 74.304 23.491 -13.113 1.00 0.00 C ATOM 1981 O SER A 130 75.271 24.231 -13.296 1.00 0.00 O ATOM 1982 CB SER A 130 72.627 24.024 -11.346 1.00 0.00 C ATOM 1983 OG SER A 130 73.276 22.895 -10.774 1.00 0.00 O ATOM 0 H SER A 130 71.176 22.901 -12.986 1.00 0.00 H new ATOM 0 HA SER A 130 72.889 25.100 -13.190 1.00 0.00 H new ATOM 0 HB2 SER A 130 72.978 24.940 -10.870 1.00 0.00 H new ATOM 0 HB3 SER A 130 71.552 23.966 -11.174 1.00 0.00 H new ATOM 0 HG SER A 130 73.012 22.085 -11.259 1.00 0.00 H new ATOM 1989 N ARG A 131 74.392 22.164 -13.139 1.00 0.00 N ATOM 1990 CA ARG A 131 75.664 21.499 -13.390 1.00 0.00 C ATOM 1991 C ARG A 131 76.310 22.058 -14.653 1.00 0.00 C ATOM 1992 O ARG A 131 77.495 22.393 -14.660 1.00 0.00 O ATOM 1993 CB ARG A 131 75.447 19.993 -13.544 1.00 0.00 C ATOM 1994 CG ARG A 131 76.787 19.267 -13.403 1.00 0.00 C ATOM 1995 CD ARG A 131 77.198 19.229 -11.929 1.00 0.00 C ATOM 1996 NE ARG A 131 77.344 17.848 -11.483 1.00 0.00 N ATOM 1997 CZ ARG A 131 78.499 17.203 -11.611 1.00 0.00 C ATOM 1998 NH1 ARG A 131 79.528 17.805 -12.144 1.00 0.00 N ATOM 1999 NH2 ARG A 131 78.604 15.969 -11.203 1.00 0.00 N ATOM 0 H ARG A 131 73.604 21.534 -12.991 1.00 0.00 H new ATOM 0 HA ARG A 131 76.326 21.680 -12.543 1.00 0.00 H new ATOM 0 HB2 ARG A 131 74.747 19.637 -12.788 1.00 0.00 H new ATOM 0 HB3 ARG A 131 75.004 19.776 -14.516 1.00 0.00 H new ATOM 0 HG2 ARG A 131 76.706 18.253 -13.794 1.00 0.00 H new ATOM 0 HG3 ARG A 131 77.551 19.775 -13.991 1.00 0.00 H new ATOM 0 HD2 ARG A 131 78.137 19.765 -11.792 1.00 0.00 H new ATOM 0 HD3 ARG A 131 76.449 19.738 -11.322 1.00 0.00 H new ATOM 0 HE ARG A 131 76.546 17.369 -11.066 1.00 0.00 H new ATOM 0 HH11 ARG A 131 79.445 18.771 -12.462 1.00 0.00 H new ATOM 0 HH12 ARG A 131 80.414 17.310 -12.242 1.00 0.00 H new ATOM 0 HH21 ARG A 131 77.800 15.500 -10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 131 79.490 15.473 -11.301 1.00 0.00 H new ATOM 2013 N VAL A 132 75.520 22.163 -15.717 1.00 0.00 N ATOM 2014 CA VAL A 132 76.024 22.691 -16.978 1.00 0.00 C ATOM 2015 C VAL A 132 76.616 24.078 -16.766 1.00 0.00 C ATOM 2016 O VAL A 132 77.688 24.394 -17.283 1.00 0.00 O ATOM 2017 CB VAL A 132 74.893 22.769 -18.004 1.00 0.00 C ATOM 2018 CG1 VAL A 132 75.469 23.139 -19.372 1.00 0.00 C ATOM 2019 CG2 VAL A 132 74.193 21.411 -18.096 1.00 0.00 C ATOM 0 H VAL A 132 74.537 21.892 -15.731 1.00 0.00 H new ATOM 0 HA VAL A 132 76.801 22.023 -17.350 1.00 0.00 H new ATOM 0 HB VAL A 132 74.175 23.528 -17.695 1.00 0.00 H new ATOM 0 HG11 VAL A 132 74.663 23.195 -20.103 1.00 0.00 H new ATOM 0 HG12 VAL A 132 75.968 24.106 -19.307 1.00 0.00 H new ATOM 0 HG13 VAL A 132 76.188 22.380 -19.681 1.00 0.00 H new ATOM 0 HG21 VAL A 132 73.387 21.466 -18.827 1.00 0.00 H new ATOM 0 HG22 VAL A 132 74.911 20.652 -18.405 1.00 0.00 H new ATOM 0 HG23 VAL A 132 73.782 21.147 -17.122 1.00 0.00 H new ATOM 2029 N LEU A 133 75.913 24.901 -15.995 1.00 0.00 N ATOM 2030 CA LEU A 133 76.380 26.252 -15.713 1.00 0.00 C ATOM 2031 C LEU A 133 77.803 26.214 -15.165 1.00 0.00 C ATOM 2032 O LEU A 133 78.709 26.837 -15.717 1.00 0.00 O ATOM 2033 CB LEU A 133 75.454 26.924 -14.696 1.00 0.00 C ATOM 2034 CG LEU A 133 75.027 28.297 -15.217 1.00 0.00 C ATOM 2035 CD1 LEU A 133 76.263 29.082 -15.661 1.00 0.00 C ATOM 2036 CD2 LEU A 133 74.084 28.119 -16.409 1.00 0.00 C ATOM 0 H LEU A 133 75.024 24.658 -15.557 1.00 0.00 H new ATOM 0 HA LEU A 133 76.372 26.825 -16.640 1.00 0.00 H new ATOM 0 HB2 LEU A 133 74.576 26.301 -14.522 1.00 0.00 H new ATOM 0 HB3 LEU A 133 75.965 27.030 -13.739 1.00 0.00 H new ATOM 0 HG LEU A 133 74.515 28.842 -14.424 1.00 0.00 H new ATOM 0 HD11 LEU A 133 75.959 30.061 -16.032 1.00 0.00 H new ATOM 0 HD12 LEU A 133 76.937 29.209 -14.814 1.00 0.00 H new ATOM 0 HD13 LEU A 133 76.775 28.536 -16.454 1.00 0.00 H new ATOM 0 HD21 LEU A 133 73.779 29.097 -16.781 1.00 0.00 H new ATOM 0 HD22 LEU A 133 74.597 27.574 -17.201 1.00 0.00 H new ATOM 0 HD23 LEU A 133 73.203 27.559 -16.095 1.00 0.00 H new ATOM 2048 N GLU A 134 77.991 25.473 -14.077 1.00 0.00 N ATOM 2049 CA GLU A 134 79.309 25.355 -13.466 1.00 0.00 C ATOM 2050 C GLU A 134 80.339 24.935 -14.510 1.00 0.00 C ATOM 2051 O GLU A 134 81.481 25.393 -14.488 1.00 0.00 O ATOM 2052 CB GLU A 134 79.272 24.321 -12.336 1.00 0.00 C ATOM 2053 CG GLU A 134 79.626 24.999 -11.009 1.00 0.00 C ATOM 2054 CD GLU A 134 79.268 24.080 -9.845 1.00 0.00 C ATOM 2055 OE1 GLU A 134 80.088 23.246 -9.501 1.00 0.00 O ATOM 2056 OE2 GLU A 134 78.179 24.226 -9.315 1.00 0.00 O ATOM 0 H GLU A 134 77.254 24.950 -13.604 1.00 0.00 H new ATOM 0 HA GLU A 134 79.592 26.325 -13.057 1.00 0.00 H new ATOM 0 HB2 GLU A 134 78.281 23.871 -12.273 1.00 0.00 H new ATOM 0 HB3 GLU A 134 79.976 23.515 -12.544 1.00 0.00 H new ATOM 0 HG2 GLU A 134 80.690 25.235 -10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 134 79.088 25.943 -10.918 1.00 0.00 H new ATOM 2063 N ALA A 135 79.923 24.064 -15.423 1.00 0.00 N ATOM 2064 CA ALA A 135 80.817 23.593 -16.473 1.00 0.00 C ATOM 2065 C ALA A 135 81.423 24.775 -17.222 1.00 0.00 C ATOM 2066 O ALA A 135 82.610 24.771 -17.551 1.00 0.00 O ATOM 2067 CB ALA A 135 80.048 22.703 -17.452 1.00 0.00 C ATOM 0 H ALA A 135 78.981 23.673 -15.457 1.00 0.00 H new ATOM 0 HA ALA A 135 81.620 23.016 -16.015 1.00 0.00 H new ATOM 0 HB1 ALA A 135 80.723 22.355 -18.234 1.00 0.00 H new ATOM 0 HB2 ALA A 135 79.637 21.846 -16.919 1.00 0.00 H new ATOM 0 HB3 ALA A 135 79.236 23.274 -17.902 1.00 0.00 H new ATOM 2073 N SER A 136 80.601 25.785 -17.485 1.00 0.00 N ATOM 2074 CA SER A 136 81.067 26.972 -18.192 1.00 0.00 C ATOM 2075 C SER A 136 81.977 27.805 -17.294 1.00 0.00 C ATOM 2076 O SER A 136 82.811 28.570 -17.777 1.00 0.00 O ATOM 2077 CB SER A 136 79.872 27.816 -18.638 1.00 0.00 C ATOM 2078 OG SER A 136 79.726 27.716 -20.048 1.00 0.00 O ATOM 0 H SER A 136 79.616 25.806 -17.222 1.00 0.00 H new ATOM 0 HA SER A 136 81.632 26.654 -19.068 1.00 0.00 H new ATOM 0 HB2 SER A 136 78.964 27.473 -18.142 1.00 0.00 H new ATOM 0 HB3 SER A 136 80.019 28.857 -18.349 1.00 0.00 H new ATOM 0 HG SER A 136 78.960 28.255 -20.337 1.00 0.00 H new