USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 624 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: A2011 LYS NZ :NH3+ 172:sc= 0.155 (180deg=0.13) USER MOD Set 1.2: A2015 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A1964 GLN : amide:sc= -0.0366 X(o=1.2,f=1.2) USER MOD Set 2.2: A2002 THR OG1 : rot 71:sc= 1.24 USER MOD Set 3.1: A1955 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A1958 LYS NZ :NH3+ -169:sc= 1.3 (180deg=1.1) USER MOD Single : A1953 ASN : amide:sc= -0.932 X(o=-0.93,f=-1.1) USER MOD Single : A1959 GLN :FLIP amide:sc= -0.0272 F(o=-0.91!,f=-0.027) USER MOD Single : A1962 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1963 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot -155:sc= 1.2 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A1981 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.181) USER MOD Single : A1989 SER OG : rot 180:sc= 0 USER MOD Single : A1996 THR OG1 : rot -120:sc= 0 USER MOD Single : A1997 THR OG1 : rot 87:sc= 0.00217 USER MOD Single : A1998 THR OG1 : rot 180:sc= 0.00298 USER MOD Single : A2000 ASN : amide:sc= 0.275 K(o=0.28,f=-6.5!) USER MOD Single : A2001 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A2003 TYR OH : rot 23:sc= -0.597 USER MOD Single : A2004 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.13) USER MOD Single : A2006 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.4) USER MOD Single : A2008 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2010 THR OG1 : rot 180:sc= 0 USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2017 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A2022 SER OG : rot -92:sc= 0.956 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A2030 SER OG : rot -27:sc= 0.00161 USER MOD ----------------------------------------------------------------- ATOM 252 N ASN A1953 11.544 -4.568 1.551 1.00 0.00 N ATOM 253 CA ASN A1953 11.440 -3.970 2.872 1.00 0.00 C ATOM 254 C ASN A1953 10.096 -3.266 3.038 1.00 0.00 C ATOM 255 O ASN A1953 9.507 -2.830 2.060 1.00 0.00 O ATOM 256 CB ASN A1953 12.546 -2.925 2.955 1.00 0.00 C ATOM 257 CG ASN A1953 12.411 -1.973 4.115 1.00 0.00 C ATOM 258 OD1 ASN A1953 12.241 -2.379 5.260 1.00 0.00 O ATOM 259 ND2 ASN A1953 12.418 -0.697 3.799 1.00 0.00 N ATOM 0 HA ASN A1953 11.526 -4.733 3.645 1.00 0.00 H new ATOM 0 HB2 ASN A1953 13.507 -3.434 3.028 1.00 0.00 H new ATOM 0 HB3 ASN A1953 12.559 -2.351 2.028 1.00 0.00 H new ATOM 0 HD21 ASN A1953 12.278 0.008 4.522 1.00 0.00 H new ATOM 0 HD22 ASN A1953 12.564 -0.412 2.830 1.00 0.00 H new ATOM 266 N LEU A1954 9.649 -3.058 4.273 1.00 0.00 N ATOM 267 CA LEU A1954 8.397 -2.394 4.604 1.00 0.00 C ATOM 268 C LEU A1954 8.181 -1.070 3.863 1.00 0.00 C ATOM 269 O LEU A1954 7.091 -0.816 3.339 1.00 0.00 O ATOM 270 CB LEU A1954 8.373 -2.125 6.127 1.00 0.00 C ATOM 271 CG LEU A1954 7.282 -2.887 6.889 1.00 0.00 C ATOM 272 CD1 LEU A1954 5.925 -2.756 6.193 1.00 0.00 C ATOM 273 CD2 LEU A1954 7.670 -4.355 7.070 1.00 0.00 C ATOM 0 H LEU A1954 10.168 -3.358 5.098 1.00 0.00 H new ATOM 0 HA LEU A1954 7.592 -3.059 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A1954 9.344 -2.390 6.546 1.00 0.00 H new ATOM 0 HB3 LEU A1954 8.236 -1.056 6.293 1.00 0.00 H new ATOM 0 HG LEU A1954 7.189 -2.439 7.878 1.00 0.00 H new ATOM 0 HD11 LEU A1954 5.172 -3.307 6.757 1.00 0.00 H new ATOM 0 HD12 LEU A1954 5.642 -1.705 6.142 1.00 0.00 H new ATOM 0 HD13 LEU A1954 5.993 -3.163 5.184 1.00 0.00 H new ATOM 0 HD21 LEU A1954 6.881 -4.876 7.613 1.00 0.00 H new ATOM 0 HD22 LEU A1954 7.805 -4.819 6.093 1.00 0.00 H new ATOM 0 HD23 LEU A1954 8.601 -4.418 7.633 1.00 0.00 H new ATOM 285 N SER A1955 9.208 -0.219 3.840 1.00 0.00 N ATOM 286 CA SER A1955 9.138 1.082 3.196 1.00 0.00 C ATOM 287 C SER A1955 8.963 0.958 1.691 1.00 0.00 C ATOM 288 O SER A1955 8.293 1.814 1.113 1.00 0.00 O ATOM 289 CB SER A1955 10.346 1.936 3.571 1.00 0.00 C ATOM 290 OG SER A1955 10.399 2.054 4.980 1.00 0.00 O ATOM 0 H SER A1955 10.111 -0.418 4.270 1.00 0.00 H new ATOM 0 HA SER A1955 8.249 1.594 3.565 1.00 0.00 H new ATOM 0 HB2 SER A1955 11.262 1.480 3.195 1.00 0.00 H new ATOM 0 HB3 SER A1955 10.269 2.922 3.112 1.00 0.00 H new ATOM 0 HG SER A1955 11.173 2.600 5.234 1.00 0.00 H new ATOM 296 N GLU A1956 9.557 -0.068 1.069 1.00 0.00 N ATOM 297 CA GLU A1956 9.456 -0.302 -0.367 1.00 0.00 C ATOM 298 C GLU A1956 7.978 -0.393 -0.777 1.00 0.00 C ATOM 299 O GLU A1956 7.518 0.372 -1.618 1.00 0.00 O ATOM 300 CB GLU A1956 10.236 -1.581 -0.719 1.00 0.00 C ATOM 301 CG GLU A1956 11.725 -1.482 -0.332 1.00 0.00 C ATOM 302 CD GLU A1956 12.643 -0.766 -1.329 1.00 0.00 C ATOM 303 OE1 GLU A1956 12.557 -1.016 -2.555 1.00 0.00 O ATOM 304 OE2 GLU A1956 13.490 0.029 -0.861 1.00 0.00 O ATOM 0 H GLU A1956 10.124 -0.761 1.557 1.00 0.00 H new ATOM 0 HA GLU A1956 9.894 0.527 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A1956 9.785 -2.431 -0.207 1.00 0.00 H new ATOM 0 HB3 GLU A1956 10.153 -1.772 -1.789 1.00 0.00 H new ATOM 0 HG2 GLU A1956 11.795 -0.968 0.627 1.00 0.00 H new ATOM 0 HG3 GLU A1956 12.106 -2.492 -0.181 1.00 0.00 H new ATOM 311 N ILE A1957 7.189 -1.242 -0.115 1.00 0.00 N ATOM 312 CA ILE A1957 5.780 -1.416 -0.434 1.00 0.00 C ATOM 313 C ILE A1957 4.980 -0.211 0.040 1.00 0.00 C ATOM 314 O ILE A1957 4.113 0.237 -0.698 1.00 0.00 O ATOM 315 CB ILE A1957 5.205 -2.712 0.172 1.00 0.00 C ATOM 316 CG1 ILE A1957 6.157 -3.915 0.020 1.00 0.00 C ATOM 317 CG2 ILE A1957 3.853 -3.091 -0.443 1.00 0.00 C ATOM 318 CD1 ILE A1957 6.757 -4.223 1.383 1.00 0.00 C ATOM 0 H ILE A1957 7.514 -1.826 0.656 1.00 0.00 H new ATOM 0 HA ILE A1957 5.698 -1.499 -1.518 1.00 0.00 H new ATOM 0 HB ILE A1957 5.076 -2.490 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A1957 5.617 -4.781 -0.362 1.00 0.00 H new ATOM 0 HG13 ILE A1957 6.944 -3.688 -0.699 1.00 0.00 H new ATOM 0 HG21 ILE A1957 3.489 -4.010 0.016 1.00 0.00 H new ATOM 0 HG22 ILE A1957 3.136 -2.289 -0.267 1.00 0.00 H new ATOM 0 HG23 ILE A1957 3.971 -3.244 -1.516 1.00 0.00 H new ATOM 0 HD11 ILE A1957 7.435 -5.072 1.299 1.00 0.00 H new ATOM 0 HD12 ILE A1957 7.307 -3.354 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A1957 5.959 -4.464 2.086 1.00 0.00 H new ATOM 330 N LYS A1958 5.215 0.331 1.242 1.00 0.00 N ATOM 331 CA LYS A1958 4.449 1.477 1.728 1.00 0.00 C ATOM 332 C LYS A1958 4.544 2.651 0.771 1.00 0.00 C ATOM 333 O LYS A1958 3.518 3.189 0.360 1.00 0.00 O ATOM 334 CB LYS A1958 4.957 1.842 3.120 1.00 0.00 C ATOM 335 CG LYS A1958 4.573 3.250 3.597 1.00 0.00 C ATOM 336 CD LYS A1958 5.819 4.120 3.716 1.00 0.00 C ATOM 337 CE LYS A1958 6.683 3.616 4.870 1.00 0.00 C ATOM 338 NZ LYS A1958 7.731 4.576 5.227 1.00 0.00 N ATOM 0 H LYS A1958 5.927 -0.006 1.890 1.00 0.00 H new ATOM 0 HA LYS A1958 3.393 1.214 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A1958 4.572 1.114 3.834 1.00 0.00 H new ATOM 0 HB3 LYS A1958 6.043 1.754 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A1958 3.871 3.701 2.896 1.00 0.00 H new ATOM 0 HG3 LYS A1958 4.068 3.191 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A1958 6.385 4.093 2.785 1.00 0.00 H new ATOM 0 HD3 LYS A1958 5.536 5.159 3.886 1.00 0.00 H new ATOM 0 HE2 LYS A1958 6.053 3.426 5.739 1.00 0.00 H new ATOM 0 HE3 LYS A1958 7.140 2.666 4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 8.406 4.127 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 8.230 4.880 4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 7.302 5.403 5.689 1.00 0.00 H new ATOM 352 N GLN A1959 5.762 3.057 0.426 1.00 0.00 N ATOM 353 CA GLN A1959 5.925 4.183 -0.483 1.00 0.00 C ATOM 354 C GLN A1959 5.253 3.898 -1.833 1.00 0.00 C ATOM 355 O GLN A1959 4.712 4.811 -2.446 1.00 0.00 O ATOM 356 CB GLN A1959 7.396 4.601 -0.618 1.00 0.00 C ATOM 357 CG GLN A1959 8.228 3.827 -1.653 1.00 0.00 C ATOM 358 CD GLN A1959 8.371 4.546 -3.010 1.00 0.00 C ATOM 359 OE1 GLN A1959 7.395 5.318 -3.475 1.00 0.00 O flip ATOM 360 NE2 GLN A1959 9.401 4.429 -3.654 1.00 0.00 N flip ATOM 0 H GLN A1959 6.631 2.634 0.753 1.00 0.00 H new ATOM 0 HA GLN A1959 5.413 5.044 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A1959 7.429 5.660 -0.874 1.00 0.00 H new ATOM 0 HB3 GLN A1959 7.874 4.493 0.356 1.00 0.00 H new ATOM 0 HG2 GLN A1959 9.222 3.646 -1.243 1.00 0.00 H new ATOM 0 HG3 GLN A1959 7.769 2.852 -1.817 1.00 0.00 H new ATOM 0 HE21 GLN A1959 10.156 3.839 -3.305 1.00 0.00 H new ATOM 0 HE22 GLN A1959 9.507 4.922 -4.541 1.00 0.00 H new ATOM 369 N VAL A1960 5.289 2.654 -2.307 1.00 0.00 N ATOM 370 CA VAL A1960 4.678 2.261 -3.568 1.00 0.00 C ATOM 371 C VAL A1960 3.162 2.426 -3.406 1.00 0.00 C ATOM 372 O VAL A1960 2.507 3.085 -4.210 1.00 0.00 O ATOM 373 CB VAL A1960 5.173 0.839 -3.921 1.00 0.00 C ATOM 374 CG1 VAL A1960 4.214 0.014 -4.777 1.00 0.00 C ATOM 375 CG2 VAL A1960 6.539 0.924 -4.615 1.00 0.00 C ATOM 0 H VAL A1960 5.749 1.885 -1.819 1.00 0.00 H new ATOM 0 HA VAL A1960 4.962 2.881 -4.419 1.00 0.00 H new ATOM 0 HB VAL A1960 5.243 0.312 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A1960 4.650 -0.966 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A1960 3.268 -0.108 -4.249 1.00 0.00 H new ATOM 0 HG13 VAL A1960 4.038 0.526 -5.723 1.00 0.00 H new ATOM 0 HG21 VAL A1960 6.885 -0.080 -4.862 1.00 0.00 H new ATOM 0 HG22 VAL A1960 6.447 1.511 -5.529 1.00 0.00 H new ATOM 0 HG23 VAL A1960 7.257 1.401 -3.948 1.00 0.00 H new ATOM 385 N LEU A1961 2.592 1.887 -2.327 1.00 0.00 N ATOM 386 CA LEU A1961 1.177 1.979 -2.013 1.00 0.00 C ATOM 387 C LEU A1961 0.741 3.444 -1.949 1.00 0.00 C ATOM 388 O LEU A1961 -0.415 3.696 -2.245 1.00 0.00 O ATOM 389 CB LEU A1961 0.866 1.263 -0.700 1.00 0.00 C ATOM 390 CG LEU A1961 0.939 -0.268 -0.757 1.00 0.00 C ATOM 391 CD1 LEU A1961 0.865 -0.789 0.676 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.142 -0.877 -1.652 1.00 0.00 C ATOM 0 H LEU A1961 3.122 1.361 -1.632 1.00 0.00 H new ATOM 0 HA LEU A1961 0.615 1.486 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A1961 1.562 1.616 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A1961 -0.134 1.551 -0.376 1.00 0.00 H new ATOM 0 HG LEU A1961 1.880 -0.571 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A1961 0.915 -1.878 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A1961 1.701 -0.391 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A1961 -0.073 -0.471 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.043 -1.962 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A1961 -1.126 -0.604 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.028 -0.499 -2.668 1.00 0.00 H new ATOM 404 N LYS A1962 1.592 4.407 -1.559 1.00 0.00 N ATOM 405 CA LYS A1962 1.208 5.815 -1.509 1.00 0.00 C ATOM 406 C LYS A1962 0.807 6.254 -2.903 1.00 0.00 C ATOM 407 O LYS A1962 -0.310 6.734 -3.079 1.00 0.00 O ATOM 408 CB LYS A1962 2.357 6.706 -0.994 1.00 0.00 C ATOM 409 CG LYS A1962 2.084 8.178 -1.318 1.00 0.00 C ATOM 410 CD LYS A1962 2.471 9.164 -0.222 1.00 0.00 C ATOM 411 CE LYS A1962 3.893 9.724 -0.297 1.00 0.00 C ATOM 412 NZ LYS A1962 4.928 8.841 0.275 1.00 0.00 N ATOM 0 H LYS A1962 2.555 4.228 -1.273 1.00 0.00 H new ATOM 0 HA LYS A1962 0.375 5.924 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A1962 2.468 6.580 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A1962 3.297 6.396 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A1962 2.624 8.440 -2.228 1.00 0.00 H new ATOM 0 HG3 LYS A1962 1.022 8.296 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A1962 1.771 9.999 -0.248 1.00 0.00 H new ATOM 0 HD3 LYS A1962 2.345 8.672 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A1962 4.138 9.922 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS A1962 3.921 10.681 0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 5.860 9.294 0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 4.722 8.671 1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 4.932 7.935 -0.236 1.00 0.00 H new ATOM 426 N GLN A1963 1.712 6.118 -3.866 1.00 0.00 N ATOM 427 CA GLN A1963 1.427 6.530 -5.232 1.00 0.00 C ATOM 428 C GLN A1963 0.192 5.825 -5.765 1.00 0.00 C ATOM 429 O GLN A1963 -0.635 6.468 -6.403 1.00 0.00 O ATOM 430 CB GLN A1963 2.652 6.381 -6.148 1.00 0.00 C ATOM 431 CG GLN A1963 2.815 5.090 -6.948 1.00 0.00 C ATOM 432 CD GLN A1963 4.077 5.157 -7.792 1.00 0.00 C ATOM 433 OE1 GLN A1963 5.191 5.219 -7.266 1.00 0.00 O ATOM 434 NE2 GLN A1963 3.960 5.139 -9.102 1.00 0.00 N ATOM 0 H GLN A1963 2.644 5.728 -3.726 1.00 0.00 H new ATOM 0 HA GLN A1963 1.200 7.596 -5.222 1.00 0.00 H new ATOM 0 HB2 GLN A1963 2.638 7.210 -6.856 1.00 0.00 H new ATOM 0 HB3 GLN A1963 3.543 6.503 -5.532 1.00 0.00 H new ATOM 0 HG2 GLN A1963 2.865 4.237 -6.271 1.00 0.00 H new ATOM 0 HG3 GLN A1963 1.947 4.938 -7.589 1.00 0.00 H new ATOM 0 HE21 GLN A1963 3.036 5.088 -9.531 1.00 0.00 H new ATOM 0 HE22 GLN A1963 4.793 5.176 -9.689 1.00 0.00 H new ATOM 443 N GLN A1964 0.087 4.531 -5.467 1.00 0.00 N ATOM 444 CA GLN A1964 -1.014 3.682 -5.894 1.00 0.00 C ATOM 445 C GLN A1964 -2.323 4.166 -5.254 1.00 0.00 C ATOM 446 O GLN A1964 -3.383 4.070 -5.858 1.00 0.00 O ATOM 447 CB GLN A1964 -0.700 2.220 -5.532 1.00 0.00 C ATOM 448 CG GLN A1964 0.555 1.649 -6.219 1.00 0.00 C ATOM 449 CD GLN A1964 0.264 0.779 -7.443 1.00 0.00 C ATOM 450 OE1 GLN A1964 0.467 1.173 -8.582 1.00 0.00 O ATOM 451 NE2 GLN A1964 -0.087 -0.480 -7.251 1.00 0.00 N ATOM 0 H GLN A1964 0.783 4.036 -4.909 1.00 0.00 H new ATOM 0 HA GLN A1964 -1.138 3.741 -6.975 1.00 0.00 H new ATOM 0 HB2 GLN A1964 -0.574 2.145 -4.452 1.00 0.00 H new ATOM 0 HB3 GLN A1964 -1.557 1.601 -5.796 1.00 0.00 H new ATOM 0 HG2 GLN A1964 1.197 2.476 -6.521 1.00 0.00 H new ATOM 0 HG3 GLN A1964 1.115 1.059 -5.494 1.00 0.00 H new ATOM 0 HE21 GLN A1964 -0.260 -0.823 -6.306 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -0.185 -1.109 -8.048 1.00 0.00 H new ATOM 460 N LEU A1965 -2.275 4.694 -4.032 1.00 0.00 N ATOM 461 CA LEU A1965 -3.452 5.185 -3.343 1.00 0.00 C ATOM 462 C LEU A1965 -3.832 6.543 -3.893 1.00 0.00 C ATOM 463 O LEU A1965 -5.000 6.747 -4.199 1.00 0.00 O ATOM 464 CB LEU A1965 -3.206 5.258 -1.829 1.00 0.00 C ATOM 465 CG LEU A1965 -4.458 5.493 -0.964 1.00 0.00 C ATOM 466 CD1 LEU A1965 -4.835 6.948 -0.717 1.00 0.00 C ATOM 467 CD2 LEU A1965 -5.677 4.686 -1.416 1.00 0.00 C ATOM 0 H LEU A1965 -1.413 4.791 -3.496 1.00 0.00 H new ATOM 0 HA LEU A1965 -4.276 4.492 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A1965 -2.735 4.328 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A1965 -2.494 6.060 -1.633 1.00 0.00 H new ATOM 0 HG LEU A1965 -4.136 5.110 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A1965 -5.731 6.992 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A1965 -4.016 7.455 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A1965 -5.029 7.440 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A1965 -6.520 4.903 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A1965 -5.934 4.958 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A1965 -5.446 3.622 -1.370 1.00 0.00 H new ATOM 479 N ALA A1966 -2.867 7.459 -4.041 1.00 0.00 N ATOM 480 CA ALA A1966 -3.176 8.780 -4.547 1.00 0.00 C ATOM 481 C ALA A1966 -3.820 8.680 -5.928 1.00 0.00 C ATOM 482 O ALA A1966 -4.823 9.336 -6.169 1.00 0.00 O ATOM 483 CB ALA A1966 -1.940 9.691 -4.570 1.00 0.00 C ATOM 0 H ALA A1966 -1.884 7.303 -3.818 1.00 0.00 H new ATOM 0 HA ALA A1966 -3.890 9.241 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A1966 -2.218 10.672 -4.957 1.00 0.00 H new ATOM 0 HB2 ALA A1966 -1.548 9.797 -3.559 1.00 0.00 H new ATOM 0 HB3 ALA A1966 -1.176 9.251 -5.211 1.00 0.00 H new ATOM 489 N GLU A1967 -3.278 7.848 -6.821 1.00 0.00 N ATOM 490 CA GLU A1967 -3.848 7.687 -8.161 1.00 0.00 C ATOM 491 C GLU A1967 -5.242 7.051 -8.073 1.00 0.00 C ATOM 492 O GLU A1967 -6.161 7.444 -8.790 1.00 0.00 O ATOM 493 CB GLU A1967 -2.909 6.898 -9.094 1.00 0.00 C ATOM 494 CG GLU A1967 -2.732 5.426 -8.701 1.00 0.00 C ATOM 495 CD GLU A1967 -1.628 4.662 -9.436 1.00 0.00 C ATOM 496 OE1 GLU A1967 -0.486 5.168 -9.540 1.00 0.00 O ATOM 497 OE2 GLU A1967 -1.879 3.489 -9.805 1.00 0.00 O ATOM 0 H GLU A1967 -2.451 7.279 -6.642 1.00 0.00 H new ATOM 0 HA GLU A1967 -3.957 8.676 -8.605 1.00 0.00 H new ATOM 0 HB2 GLU A1967 -3.298 6.948 -10.111 1.00 0.00 H new ATOM 0 HB3 GLU A1967 -1.932 7.381 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A1967 -2.529 5.378 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU A1967 -3.677 4.910 -8.869 1.00 0.00 H new ATOM 504 N ALA A1968 -5.434 6.083 -7.173 1.00 0.00 N ATOM 505 CA ALA A1968 -6.717 5.413 -6.992 1.00 0.00 C ATOM 506 C ALA A1968 -7.772 6.378 -6.449 1.00 0.00 C ATOM 507 O ALA A1968 -8.967 6.099 -6.591 1.00 0.00 O ATOM 508 CB ALA A1968 -6.567 4.206 -6.063 1.00 0.00 C ATOM 0 H ALA A1968 -4.701 5.744 -6.550 1.00 0.00 H new ATOM 0 HA ALA A1968 -7.052 5.062 -7.968 1.00 0.00 H new ATOM 0 HB1 ALA A1968 -7.534 3.719 -5.940 1.00 0.00 H new ATOM 0 HB2 ALA A1968 -5.858 3.500 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A1968 -6.202 4.538 -5.091 1.00 0.00 H new ATOM 514 N LEU A1969 -7.335 7.488 -5.843 1.00 0.00 N ATOM 515 CA LEU A1969 -8.161 8.538 -5.270 1.00 0.00 C ATOM 516 C LEU A1969 -8.092 9.825 -6.116 1.00 0.00 C ATOM 517 O LEU A1969 -8.586 10.859 -5.676 1.00 0.00 O ATOM 518 CB LEU A1969 -7.755 8.827 -3.811 1.00 0.00 C ATOM 519 CG LEU A1969 -7.947 7.679 -2.801 1.00 0.00 C ATOM 520 CD1 LEU A1969 -7.963 8.253 -1.389 1.00 0.00 C ATOM 521 CD2 LEU A1969 -9.242 6.890 -2.994 1.00 0.00 C ATOM 0 H LEU A1969 -6.339 7.681 -5.737 1.00 0.00 H new ATOM 0 HA LEU A1969 -9.192 8.185 -5.274 1.00 0.00 H new ATOM 0 HB2 LEU A1969 -6.704 9.117 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A1969 -8.327 9.687 -3.462 1.00 0.00 H new ATOM 0 HG LEU A1969 -7.116 6.993 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A1969 -8.099 7.446 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A1969 -7.019 8.760 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A1969 -8.783 8.964 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A1969 -9.302 6.101 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A1969 -10.095 7.559 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A1969 -9.253 6.447 -3.990 1.00 0.00 H new ATOM 533 N TYR A1970 -7.491 9.786 -7.314 1.00 0.00 N ATOM 534 CA TYR A1970 -7.342 10.924 -8.225 1.00 0.00 C ATOM 535 C TYR A1970 -6.698 12.155 -7.552 1.00 0.00 C ATOM 536 O TYR A1970 -7.101 13.298 -7.801 1.00 0.00 O ATOM 537 CB TYR A1970 -8.690 11.213 -8.925 1.00 0.00 C ATOM 538 CG TYR A1970 -8.957 10.331 -10.129 1.00 0.00 C ATOM 539 CD1 TYR A1970 -9.485 9.037 -9.969 1.00 0.00 C ATOM 540 CD2 TYR A1970 -8.684 10.821 -11.420 1.00 0.00 C ATOM 541 CE1 TYR A1970 -9.753 8.234 -11.093 1.00 0.00 C ATOM 542 CE2 TYR A1970 -8.943 10.026 -12.546 1.00 0.00 C ATOM 543 CZ TYR A1970 -9.489 8.735 -12.388 1.00 0.00 C ATOM 544 OH TYR A1970 -9.767 7.997 -13.496 1.00 0.00 O ATOM 0 H TYR A1970 -7.081 8.929 -7.686 1.00 0.00 H new ATOM 0 HA TYR A1970 -6.627 10.657 -9.003 1.00 0.00 H new ATOM 0 HB2 TYR A1970 -9.498 11.083 -8.205 1.00 0.00 H new ATOM 0 HB3 TYR A1970 -8.709 12.256 -9.240 1.00 0.00 H new ATOM 0 HD1 TYR A1970 -9.686 8.658 -8.978 1.00 0.00 H new ATOM 0 HD2 TYR A1970 -8.274 11.812 -11.544 1.00 0.00 H new ATOM 0 HE1 TYR A1970 -10.158 7.241 -10.967 1.00 0.00 H new ATOM 0 HE2 TYR A1970 -8.724 10.402 -13.534 1.00 0.00 H new ATOM 0 HH TYR A1970 -9.520 8.504 -14.297 1.00 0.00 H new ATOM 554 N THR A1971 -5.629 11.973 -6.773 1.00 0.00 N ATOM 555 CA THR A1971 -4.952 13.053 -6.072 1.00 0.00 C ATOM 556 C THR A1971 -3.431 12.933 -6.196 1.00 0.00 C ATOM 557 O THR A1971 -2.905 12.181 -7.029 1.00 0.00 O ATOM 558 CB THR A1971 -5.488 13.097 -4.628 1.00 0.00 C ATOM 559 OG1 THR A1971 -5.216 14.369 -4.082 1.00 0.00 O ATOM 560 CG2 THR A1971 -4.898 12.002 -3.725 1.00 0.00 C ATOM 0 H THR A1971 -5.208 11.058 -6.613 1.00 0.00 H new ATOM 0 HA THR A1971 -5.172 14.018 -6.528 1.00 0.00 H new ATOM 0 HB THR A1971 -6.561 12.910 -4.671 1.00 0.00 H new ATOM 0 HG1 THR A1971 -5.169 14.303 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A1971 -5.318 12.091 -2.723 1.00 0.00 H new ATOM 0 HG22 THR A1971 -5.142 11.022 -4.135 1.00 0.00 H new ATOM 0 HG23 THR A1971 -3.815 12.115 -3.676 1.00 0.00 H new ATOM 568 N GLU A1972 -2.725 13.730 -5.398 1.00 0.00 N ATOM 569 CA GLU A1972 -1.285 13.809 -5.341 1.00 0.00 C ATOM 570 C GLU A1972 -0.769 13.111 -4.092 1.00 0.00 C ATOM 571 O GLU A1972 -1.373 13.124 -3.021 1.00 0.00 O ATOM 572 CB GLU A1972 -0.856 15.280 -5.252 1.00 0.00 C ATOM 573 CG GLU A1972 -1.331 16.126 -6.434 1.00 0.00 C ATOM 574 CD GLU A1972 -1.221 17.613 -6.109 1.00 0.00 C ATOM 575 OE1 GLU A1972 -1.933 18.109 -5.202 1.00 0.00 O ATOM 576 OE2 GLU A1972 -0.379 18.294 -6.735 1.00 0.00 O ATOM 0 H GLU A1972 -3.175 14.369 -4.742 1.00 0.00 H new ATOM 0 HA GLU A1972 -0.881 13.335 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A1972 -1.246 15.709 -4.329 1.00 0.00 H new ATOM 0 HB3 GLU A1972 0.231 15.330 -5.193 1.00 0.00 H new ATOM 0 HG2 GLU A1972 -0.734 15.896 -7.316 1.00 0.00 H new ATOM 0 HG3 GLU A1972 -2.364 15.876 -6.675 1.00 0.00 H new ATOM 583 N GLU A1973 0.436 12.574 -4.189 1.00 0.00 N ATOM 584 CA GLU A1973 1.082 11.880 -3.085 1.00 0.00 C ATOM 585 C GLU A1973 1.415 12.821 -1.928 1.00 0.00 C ATOM 586 O GLU A1973 1.716 12.378 -0.820 1.00 0.00 O ATOM 587 CB GLU A1973 2.339 11.155 -3.570 1.00 0.00 C ATOM 588 CG GLU A1973 2.072 10.292 -4.798 1.00 0.00 C ATOM 589 CD GLU A1973 3.299 9.462 -5.214 1.00 0.00 C ATOM 590 OE1 GLU A1973 3.897 8.735 -4.382 1.00 0.00 O ATOM 591 OE2 GLU A1973 3.631 9.493 -6.419 1.00 0.00 O ATOM 0 H GLU A1973 0.997 12.607 -5.040 1.00 0.00 H new ATOM 0 HA GLU A1973 0.373 11.144 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A1973 3.111 11.888 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A1973 2.728 10.529 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A1973 1.237 9.622 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A1973 1.771 10.931 -5.628 1.00 0.00 H new ATOM 598 N SER A1974 1.454 14.121 -2.190 1.00 0.00 N ATOM 599 CA SER A1974 1.733 15.133 -1.184 1.00 0.00 C ATOM 600 C SER A1974 0.610 15.241 -0.150 1.00 0.00 C ATOM 601 O SER A1974 0.844 15.791 0.928 1.00 0.00 O ATOM 602 CB SER A1974 1.889 16.484 -1.882 1.00 0.00 C ATOM 603 OG SER A1974 2.956 16.463 -2.806 1.00 0.00 O ATOM 0 H SER A1974 1.290 14.506 -3.120 1.00 0.00 H new ATOM 0 HA SER A1974 2.645 14.847 -0.660 1.00 0.00 H new ATOM 0 HB2 SER A1974 0.963 16.738 -2.398 1.00 0.00 H new ATOM 0 HB3 SER A1974 2.064 17.262 -1.139 1.00 0.00 H new ATOM 0 HG SER A1974 3.031 17.339 -3.239 1.00 0.00 H new ATOM 609 N GLU A1975 -0.578 14.700 -0.428 1.00 0.00 N ATOM 610 CA GLU A1975 -1.701 14.800 0.496 1.00 0.00 C ATOM 611 C GLU A1975 -1.883 13.580 1.401 1.00 0.00 C ATOM 612 O GLU A1975 -2.490 13.675 2.470 1.00 0.00 O ATOM 613 CB GLU A1975 -2.963 15.104 -0.323 1.00 0.00 C ATOM 614 CG GLU A1975 -3.702 13.912 -0.949 1.00 0.00 C ATOM 615 CD GLU A1975 -5.209 14.079 -0.703 1.00 0.00 C ATOM 616 OE1 GLU A1975 -5.640 14.080 0.466 1.00 0.00 O ATOM 617 OE2 GLU A1975 -5.957 14.306 -1.680 1.00 0.00 O ATOM 0 H GLU A1975 -0.784 14.189 -1.286 1.00 0.00 H new ATOM 0 HA GLU A1975 -1.494 15.610 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A1975 -3.664 15.634 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A1975 -2.687 15.789 -1.125 1.00 0.00 H new ATOM 0 HG2 GLU A1975 -3.498 13.861 -2.018 1.00 0.00 H new ATOM 0 HG3 GLU A1975 -3.350 12.978 -0.512 1.00 0.00 H new ATOM 624 N ILE A1976 -1.359 12.437 0.969 1.00 0.00 N ATOM 625 CA ILE A1976 -1.457 11.152 1.642 1.00 0.00 C ATOM 626 C ILE A1976 -0.536 11.113 2.857 1.00 0.00 C ATOM 627 O ILE A1976 0.451 11.848 2.943 1.00 0.00 O ATOM 628 CB ILE A1976 -1.124 10.008 0.648 1.00 0.00 C ATOM 629 CG1 ILE A1976 -1.575 10.230 -0.817 1.00 0.00 C ATOM 630 CG2 ILE A1976 -1.608 8.622 1.118 1.00 0.00 C ATOM 631 CD1 ILE A1976 -2.980 9.791 -1.213 1.00 0.00 C ATOM 0 H ILE A1976 -0.830 12.382 0.099 1.00 0.00 H new ATOM 0 HA ILE A1976 -2.478 11.012 1.996 1.00 0.00 H new ATOM 0 HB ILE A1976 -0.034 10.033 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A1976 -1.485 11.294 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A1976 -0.869 9.711 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE A1976 -1.341 7.872 0.374 1.00 0.00 H new ATOM 0 HG22 ILE A1976 -1.135 8.375 2.069 1.00 0.00 H new ATOM 0 HG23 ILE A1976 -2.691 8.638 1.244 1.00 0.00 H new ATOM 0 HD11 ILE A1976 -3.147 10.012 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE A1976 -3.087 8.719 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A1976 -3.712 10.327 -0.610 1.00 0.00 H new ATOM 643 N ALA A1977 -0.837 10.227 3.803 1.00 0.00 N ATOM 644 CA ALA A1977 -0.063 9.997 5.010 1.00 0.00 C ATOM 645 C ALA A1977 0.092 8.488 5.124 1.00 0.00 C ATOM 646 O ALA A1977 -0.787 7.743 4.691 1.00 0.00 O ATOM 647 CB ALA A1977 -0.733 10.599 6.242 1.00 0.00 C ATOM 0 H ALA A1977 -1.660 9.628 3.743 1.00 0.00 H new ATOM 0 HA ALA A1977 0.909 10.487 4.953 1.00 0.00 H new ATOM 0 HB1 ALA A1977 -0.120 10.403 7.122 1.00 0.00 H new ATOM 0 HB2 ALA A1977 -0.842 11.675 6.108 1.00 0.00 H new ATOM 0 HB3 ALA A1977 -1.716 10.149 6.378 1.00 0.00 H new ATOM 653 N GLU A1978 1.166 8.037 5.753 1.00 0.00 N ATOM 654 CA GLU A1978 1.484 6.624 5.925 1.00 0.00 C ATOM 655 C GLU A1978 0.653 5.945 7.013 1.00 0.00 C ATOM 656 O GLU A1978 0.406 4.743 6.950 1.00 0.00 O ATOM 657 CB GLU A1978 2.993 6.493 6.223 1.00 0.00 C ATOM 658 CG GLU A1978 3.915 7.184 5.200 1.00 0.00 C ATOM 659 CD GLU A1978 5.393 7.192 5.623 1.00 0.00 C ATOM 660 OE1 GLU A1978 5.875 6.232 6.254 1.00 0.00 O ATOM 661 OE2 GLU A1978 6.110 8.174 5.308 1.00 0.00 O ATOM 0 H GLU A1978 1.860 8.658 6.170 1.00 0.00 H new ATOM 0 HA GLU A1978 1.230 6.107 5.000 1.00 0.00 H new ATOM 0 HB2 GLU A1978 3.192 6.910 7.210 1.00 0.00 H new ATOM 0 HB3 GLU A1978 3.250 5.435 6.266 1.00 0.00 H new ATOM 0 HG2 GLU A1978 3.822 6.679 4.238 1.00 0.00 H new ATOM 0 HG3 GLU A1978 3.580 8.211 5.055 1.00 0.00 H new ATOM 668 N ASP A1979 0.179 6.726 7.975 1.00 0.00 N ATOM 669 CA ASP A1979 -0.609 6.329 9.140 1.00 0.00 C ATOM 670 C ASP A1979 -2.052 6.842 9.123 1.00 0.00 C ATOM 671 O ASP A1979 -2.803 6.547 10.058 1.00 0.00 O ATOM 672 CB ASP A1979 0.122 6.820 10.403 1.00 0.00 C ATOM 673 CG ASP A1979 0.546 8.291 10.330 1.00 0.00 C ATOM 674 OD1 ASP A1979 -0.064 9.088 9.580 1.00 0.00 O ATOM 675 OD2 ASP A1979 1.623 8.610 10.895 1.00 0.00 O ATOM 0 H ASP A1979 0.347 7.732 7.962 1.00 0.00 H new ATOM 0 HA ASP A1979 -0.693 5.242 9.126 1.00 0.00 H new ATOM 0 HB2 ASP A1979 -0.528 6.680 11.267 1.00 0.00 H new ATOM 0 HB3 ASP A1979 1.006 6.203 10.565 1.00 0.00 H new ATOM 680 N GLN A1980 -2.466 7.582 8.092 1.00 0.00 N ATOM 681 CA GLN A1980 -3.830 8.103 7.995 1.00 0.00 C ATOM 682 C GLN A1980 -4.690 7.107 7.231 1.00 0.00 C ATOM 683 O GLN A1980 -4.221 6.447 6.304 1.00 0.00 O ATOM 684 CB GLN A1980 -3.838 9.495 7.368 1.00 0.00 C ATOM 685 CG GLN A1980 -5.236 10.119 7.306 1.00 0.00 C ATOM 686 CD GLN A1980 -5.131 11.638 7.254 1.00 0.00 C ATOM 687 OE1 GLN A1980 -5.081 12.210 6.062 1.00 0.00 O flip ATOM 688 NE2 GLN A1980 -5.032 12.281 8.302 1.00 0.00 N flip ATOM 0 H GLN A1980 -1.868 7.835 7.305 1.00 0.00 H new ATOM 0 HA GLN A1980 -4.256 8.219 8.992 1.00 0.00 H new ATOM 0 HB2 GLN A1980 -3.180 10.149 7.941 1.00 0.00 H new ATOM 0 HB3 GLN A1980 -3.429 9.435 6.360 1.00 0.00 H new ATOM 0 HG2 GLN A1980 -5.767 9.753 6.427 1.00 0.00 H new ATOM 0 HG3 GLN A1980 -5.816 9.817 8.178 1.00 0.00 H new ATOM 0 HE21 GLN A1980 -5.076 11.801 9.201 1.00 0.00 H new ATOM 0 HE22 GLN A1980 -4.906 13.293 8.270 1.00 0.00 H new ATOM 697 N LYS A1981 -5.948 6.977 7.646 1.00 0.00 N ATOM 698 CA LYS A1981 -6.889 6.046 7.041 1.00 0.00 C ATOM 699 C LYS A1981 -7.202 6.475 5.626 1.00 0.00 C ATOM 700 O LYS A1981 -7.575 7.626 5.429 1.00 0.00 O ATOM 701 CB LYS A1981 -8.201 5.951 7.843 1.00 0.00 C ATOM 702 CG LYS A1981 -8.013 5.868 9.357 1.00 0.00 C ATOM 703 CD LYS A1981 -7.275 4.611 9.831 1.00 0.00 C ATOM 704 CE LYS A1981 -6.263 4.916 10.935 1.00 0.00 C ATOM 705 NZ LYS A1981 -6.829 5.700 12.055 1.00 0.00 N ATOM 0 H LYS A1981 -6.342 7.518 8.415 1.00 0.00 H new ATOM 0 HA LYS A1981 -6.419 5.063 7.041 1.00 0.00 H new ATOM 0 HB2 LYS A1981 -8.816 6.821 7.613 1.00 0.00 H new ATOM 0 HB3 LYS A1981 -8.753 5.072 7.509 1.00 0.00 H new ATOM 0 HG2 LYS A1981 -7.462 6.747 9.692 1.00 0.00 H new ATOM 0 HG3 LYS A1981 -8.992 5.903 9.836 1.00 0.00 H new ATOM 0 HD2 LYS A1981 -7.999 3.883 10.196 1.00 0.00 H new ATOM 0 HD3 LYS A1981 -6.761 4.153 8.986 1.00 0.00 H new ATOM 0 HE2 LYS A1981 -5.867 3.978 11.323 1.00 0.00 H new ATOM 0 HE3 LYS A1981 -5.424 5.464 10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 -6.219 5.601 12.891 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 -6.885 6.702 11.784 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 -7.782 5.348 12.278 1.00 0.00 H new ATOM 719 N PHE A1982 -7.163 5.557 4.666 1.00 0.00 N ATOM 720 CA PHE A1982 -7.471 5.863 3.281 1.00 0.00 C ATOM 721 C PHE A1982 -8.867 6.476 3.164 1.00 0.00 C ATOM 722 O PHE A1982 -9.075 7.330 2.315 1.00 0.00 O ATOM 723 CB PHE A1982 -7.389 4.594 2.435 1.00 0.00 C ATOM 724 CG PHE A1982 -6.119 3.791 2.552 1.00 0.00 C ATOM 725 CD1 PHE A1982 -4.875 4.418 2.395 1.00 0.00 C ATOM 726 CD2 PHE A1982 -6.184 2.411 2.804 1.00 0.00 C ATOM 727 CE1 PHE A1982 -3.698 3.663 2.498 1.00 0.00 C ATOM 728 CE2 PHE A1982 -5.007 1.650 2.878 1.00 0.00 C ATOM 729 CZ PHE A1982 -3.762 2.276 2.722 1.00 0.00 C ATOM 0 H PHE A1982 -6.917 4.581 4.830 1.00 0.00 H new ATOM 0 HA PHE A1982 -6.741 6.586 2.916 1.00 0.00 H new ATOM 0 HB2 PHE A1982 -8.226 3.950 2.703 1.00 0.00 H new ATOM 0 HB3 PHE A1982 -7.523 4.871 1.389 1.00 0.00 H new ATOM 0 HD1 PHE A1982 -4.823 5.478 2.196 1.00 0.00 H new ATOM 0 HD2 PHE A1982 -7.143 1.934 2.941 1.00 0.00 H new ATOM 0 HE1 PHE A1982 -2.738 4.149 2.405 1.00 0.00 H new ATOM 0 HE2 PHE A1982 -5.060 0.586 3.055 1.00 0.00 H new ATOM 0 HZ PHE A1982 -2.854 1.694 2.774 1.00 0.00 H new ATOM 739 N VAL A1983 -9.826 6.065 4.001 1.00 0.00 N ATOM 740 CA VAL A1983 -11.187 6.596 3.964 1.00 0.00 C ATOM 741 C VAL A1983 -11.197 8.116 4.190 1.00 0.00 C ATOM 742 O VAL A1983 -12.061 8.806 3.659 1.00 0.00 O ATOM 743 CB VAL A1983 -12.099 5.820 4.936 1.00 0.00 C ATOM 744 CG1 VAL A1983 -12.097 4.312 4.628 1.00 0.00 C ATOM 745 CG2 VAL A1983 -11.713 5.995 6.407 1.00 0.00 C ATOM 0 H VAL A1983 -9.678 5.357 4.720 1.00 0.00 H new ATOM 0 HA VAL A1983 -11.601 6.444 2.967 1.00 0.00 H new ATOM 0 HB VAL A1983 -13.091 6.245 4.783 1.00 0.00 H new ATOM 0 HG11 VAL A1983 -12.750 3.796 5.332 1.00 0.00 H new ATOM 0 HG12 VAL A1983 -12.456 4.148 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A1983 -11.083 3.923 4.721 1.00 0.00 H new ATOM 0 HG21 VAL A1983 -12.397 5.422 7.033 1.00 0.00 H new ATOM 0 HG22 VAL A1983 -10.695 5.638 6.561 1.00 0.00 H new ATOM 0 HG23 VAL A1983 -11.773 7.050 6.676 1.00 0.00 H new ATOM 755 N ASP A1984 -10.231 8.634 4.954 1.00 0.00 N ATOM 756 CA ASP A1984 -10.070 10.057 5.256 1.00 0.00 C ATOM 757 C ASP A1984 -9.538 10.761 4.004 1.00 0.00 C ATOM 758 O ASP A1984 -9.895 11.899 3.713 1.00 0.00 O ATOM 759 CB ASP A1984 -9.112 10.192 6.459 1.00 0.00 C ATOM 760 CG ASP A1984 -9.057 11.547 7.170 1.00 0.00 C ATOM 761 OD1 ASP A1984 -9.370 12.611 6.600 1.00 0.00 O ATOM 762 OD2 ASP A1984 -8.634 11.558 8.350 1.00 0.00 O ATOM 0 H ASP A1984 -9.516 8.054 5.393 1.00 0.00 H new ATOM 0 HA ASP A1984 -11.016 10.526 5.526 1.00 0.00 H new ATOM 0 HB2 ASP A1984 -9.388 9.437 7.195 1.00 0.00 H new ATOM 0 HB3 ASP A1984 -8.106 9.951 6.116 1.00 0.00 H new ATOM 767 N LEU A1985 -8.696 10.065 3.230 1.00 0.00 N ATOM 768 CA LEU A1985 -8.130 10.576 1.981 1.00 0.00 C ATOM 769 C LEU A1985 -9.210 10.547 0.875 1.00 0.00 C ATOM 770 O LEU A1985 -9.046 11.222 -0.138 1.00 0.00 O ATOM 771 CB LEU A1985 -6.873 9.786 1.545 1.00 0.00 C ATOM 772 CG LEU A1985 -5.559 10.066 2.304 1.00 0.00 C ATOM 773 CD1 LEU A1985 -5.003 11.453 2.001 1.00 0.00 C ATOM 774 CD2 LEU A1985 -5.643 9.868 3.811 1.00 0.00 C ATOM 0 H LEU A1985 -8.387 9.120 3.459 1.00 0.00 H new ATOM 0 HA LEU A1985 -7.810 11.604 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A1985 -7.095 8.723 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A1985 -6.700 9.985 0.487 1.00 0.00 H new ATOM 0 HG LEU A1985 -4.873 9.309 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A1985 -4.078 11.604 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A1985 -4.802 11.539 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A1985 -5.731 12.209 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A1985 -4.675 10.087 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A1985 -6.396 10.539 4.225 1.00 0.00 H new ATOM 0 HD23 LEU A1985 -5.919 8.836 4.028 1.00 0.00 H new ATOM 786 N GLY A1986 -10.302 9.783 1.046 1.00 0.00 N ATOM 787 CA GLY A1986 -11.413 9.656 0.095 1.00 0.00 C ATOM 788 C GLY A1986 -11.668 8.223 -0.382 1.00 0.00 C ATOM 789 O GLY A1986 -12.287 8.012 -1.423 1.00 0.00 O ATOM 0 H GLY A1986 -10.438 9.216 1.883 1.00 0.00 H new ATOM 0 HA2 GLY A1986 -12.321 10.039 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A1986 -11.209 10.285 -0.772 1.00 0.00 H new ATOM 793 N LEU A1987 -11.156 7.216 0.332 1.00 0.00 N ATOM 794 CA LEU A1987 -11.335 5.809 -0.038 1.00 0.00 C ATOM 795 C LEU A1987 -12.748 5.368 0.258 1.00 0.00 C ATOM 796 O LEU A1987 -13.133 5.129 1.408 1.00 0.00 O ATOM 797 CB LEU A1987 -10.294 4.935 0.675 1.00 0.00 C ATOM 798 CG LEU A1987 -9.961 3.511 0.194 1.00 0.00 C ATOM 799 CD1 LEU A1987 -11.061 2.516 0.537 1.00 0.00 C ATOM 800 CD2 LEU A1987 -9.580 3.478 -1.292 1.00 0.00 C ATOM 0 H LEU A1987 -10.607 7.353 1.181 1.00 0.00 H new ATOM 0 HA LEU A1987 -11.176 5.694 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A1987 -9.359 5.495 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A1987 -10.613 4.850 1.714 1.00 0.00 H new ATOM 0 HG LEU A1987 -9.077 3.191 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A1987 -10.781 1.526 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A1987 -11.199 2.484 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A1987 -11.992 2.825 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A1987 -9.353 2.453 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A1987 -10.412 3.852 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A1987 -8.704 4.105 -1.457 1.00 0.00 H new ATOM 812 N ASP A1988 -13.500 5.178 -0.814 1.00 0.00 N ATOM 813 CA ASP A1988 -14.866 4.731 -0.688 1.00 0.00 C ATOM 814 C ASP A1988 -14.837 3.214 -0.749 1.00 0.00 C ATOM 815 O ASP A1988 -13.913 2.617 -1.304 1.00 0.00 O ATOM 816 CB ASP A1988 -15.725 5.156 -1.878 1.00 0.00 C ATOM 817 CG ASP A1988 -15.949 6.648 -2.074 1.00 0.00 C ATOM 818 OD1 ASP A1988 -16.082 7.360 -1.057 1.00 0.00 O ATOM 819 OD2 ASP A1988 -16.144 7.079 -3.236 1.00 0.00 O ATOM 0 H ASP A1988 -13.185 5.327 -1.773 1.00 0.00 H new ATOM 0 HA ASP A1988 -15.276 5.148 0.232 1.00 0.00 H new ATOM 0 HB2 ASP A1988 -15.266 4.761 -2.784 1.00 0.00 H new ATOM 0 HB3 ASP A1988 -16.700 4.678 -1.780 1.00 0.00 H new ATOM 824 N SER A1989 -15.896 2.592 -0.249 1.00 0.00 N ATOM 825 CA SER A1989 -16.051 1.152 -0.210 1.00 0.00 C ATOM 826 C SER A1989 -15.854 0.481 -1.581 1.00 0.00 C ATOM 827 O SER A1989 -15.422 -0.670 -1.658 1.00 0.00 O ATOM 828 CB SER A1989 -17.447 0.854 0.324 1.00 0.00 C ATOM 829 OG SER A1989 -17.419 -0.378 1.007 1.00 0.00 O ATOM 0 H SER A1989 -16.690 3.092 0.150 1.00 0.00 H new ATOM 0 HA SER A1989 -15.276 0.739 0.436 1.00 0.00 H new ATOM 0 HB2 SER A1989 -17.772 1.650 0.994 1.00 0.00 H new ATOM 0 HB3 SER A1989 -18.164 0.815 -0.496 1.00 0.00 H new ATOM 0 HG SER A1989 -18.312 -0.579 1.356 1.00 0.00 H new ATOM 834 N ILE A1990 -16.242 1.139 -2.676 1.00 0.00 N ATOM 835 CA ILE A1990 -16.092 0.573 -4.008 1.00 0.00 C ATOM 836 C ILE A1990 -14.627 0.713 -4.409 1.00 0.00 C ATOM 837 O ILE A1990 -13.999 -0.264 -4.815 1.00 0.00 O ATOM 838 CB ILE A1990 -17.064 1.276 -4.978 1.00 0.00 C ATOM 839 CG1 ILE A1990 -18.502 0.871 -4.588 1.00 0.00 C ATOM 840 CG2 ILE A1990 -16.765 0.917 -6.442 1.00 0.00 C ATOM 841 CD1 ILE A1990 -19.570 1.736 -5.251 1.00 0.00 C ATOM 0 H ILE A1990 -16.663 2.068 -2.660 1.00 0.00 H new ATOM 0 HA ILE A1990 -16.349 -0.486 -4.035 1.00 0.00 H new ATOM 0 HB ILE A1990 -16.943 2.356 -4.897 1.00 0.00 H new ATOM 0 HG12 ILE A1990 -18.666 -0.171 -4.862 1.00 0.00 H new ATOM 0 HG13 ILE A1990 -18.610 0.937 -3.505 1.00 0.00 H new ATOM 0 HG21 ILE A1990 -17.471 1.432 -7.094 1.00 0.00 H new ATOM 0 HG22 ILE A1990 -15.749 1.224 -6.692 1.00 0.00 H new ATOM 0 HG23 ILE A1990 -16.862 -0.160 -6.580 1.00 0.00 H new ATOM 0 HD11 ILE A1990 -20.558 1.400 -4.936 1.00 0.00 H new ATOM 0 HD12 ILE A1990 -19.430 2.776 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A1990 -19.486 1.651 -6.334 1.00 0.00 H new ATOM 853 N VAL A1991 -14.086 1.923 -4.257 1.00 0.00 N ATOM 854 CA VAL A1991 -12.709 2.262 -4.574 1.00 0.00 C ATOM 855 C VAL A1991 -11.749 1.336 -3.810 1.00 0.00 C ATOM 856 O VAL A1991 -10.694 0.972 -4.327 1.00 0.00 O ATOM 857 CB VAL A1991 -12.468 3.758 -4.300 1.00 0.00 C ATOM 858 CG1 VAL A1991 -11.082 4.184 -4.778 1.00 0.00 C ATOM 859 CG2 VAL A1991 -13.472 4.641 -5.056 1.00 0.00 C ATOM 0 H VAL A1991 -14.617 2.716 -3.897 1.00 0.00 H new ATOM 0 HA VAL A1991 -12.511 2.101 -5.634 1.00 0.00 H new ATOM 0 HB VAL A1991 -12.575 3.887 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A1991 -10.937 5.245 -4.573 1.00 0.00 H new ATOM 0 HG12 VAL A1991 -10.322 3.605 -4.253 1.00 0.00 H new ATOM 0 HG13 VAL A1991 -10.996 4.007 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL A1991 -13.271 5.690 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A1991 -13.374 4.468 -6.128 1.00 0.00 H new ATOM 0 HG23 VAL A1991 -14.485 4.393 -4.740 1.00 0.00 H new ATOM 869 N GLY A1992 -12.113 0.887 -2.606 1.00 0.00 N ATOM 870 CA GLY A1992 -11.276 0.021 -1.813 1.00 0.00 C ATOM 871 C GLY A1992 -11.201 -1.380 -2.410 1.00 0.00 C ATOM 872 O GLY A1992 -10.110 -1.947 -2.526 1.00 0.00 O ATOM 0 H GLY A1992 -13.002 1.122 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A1992 -10.273 0.443 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY A1992 -11.667 -0.035 -0.797 1.00 0.00 H new ATOM 876 N VAL A1993 -12.348 -1.965 -2.775 1.00 0.00 N ATOM 877 CA VAL A1993 -12.350 -3.307 -3.342 1.00 0.00 C ATOM 878 C VAL A1993 -11.699 -3.339 -4.722 1.00 0.00 C ATOM 879 O VAL A1993 -11.092 -4.349 -5.071 1.00 0.00 O ATOM 880 CB VAL A1993 -13.763 -3.917 -3.339 1.00 0.00 C ATOM 881 CG1 VAL A1993 -14.765 -3.255 -4.280 1.00 0.00 C ATOM 882 CG2 VAL A1993 -13.679 -5.409 -3.677 1.00 0.00 C ATOM 0 H VAL A1993 -13.269 -1.535 -2.688 1.00 0.00 H new ATOM 0 HA VAL A1993 -11.736 -3.938 -2.699 1.00 0.00 H new ATOM 0 HB VAL A1993 -14.142 -3.745 -2.332 1.00 0.00 H new ATOM 0 HG11 VAL A1993 -15.727 -3.760 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL A1993 -14.882 -2.206 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A1993 -14.402 -3.325 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A1993 -14.680 -5.840 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A1993 -13.233 -5.534 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A1993 -13.064 -5.916 -2.934 1.00 0.00 H new ATOM 892 N GLU A1994 -11.819 -2.284 -5.521 1.00 0.00 N ATOM 893 CA GLU A1994 -11.199 -2.278 -6.836 1.00 0.00 C ATOM 894 C GLU A1994 -9.686 -2.043 -6.710 1.00 0.00 C ATOM 895 O GLU A1994 -8.906 -2.690 -7.409 1.00 0.00 O ATOM 896 CB GLU A1994 -11.915 -1.285 -7.752 1.00 0.00 C ATOM 897 CG GLU A1994 -11.704 0.166 -7.328 1.00 0.00 C ATOM 898 CD GLU A1994 -12.276 1.200 -8.293 1.00 0.00 C ATOM 899 OE1 GLU A1994 -13.345 0.969 -8.898 1.00 0.00 O ATOM 900 OE2 GLU A1994 -11.617 2.249 -8.471 1.00 0.00 O ATOM 0 H GLU A1994 -12.332 -1.435 -5.284 1.00 0.00 H new ATOM 0 HA GLU A1994 -11.309 -3.254 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU A1994 -11.557 -1.416 -8.773 1.00 0.00 H new ATOM 0 HB3 GLU A1994 -12.982 -1.506 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU A1994 -12.157 0.314 -6.348 1.00 0.00 H new ATOM 0 HG3 GLU A1994 -10.635 0.346 -7.215 1.00 0.00 H new ATOM 907 N TRP A1995 -9.249 -1.177 -5.785 1.00 0.00 N ATOM 908 CA TRP A1995 -7.831 -0.880 -5.590 1.00 0.00 C ATOM 909 C TRP A1995 -7.092 -2.115 -5.095 1.00 0.00 C ATOM 910 O TRP A1995 -5.948 -2.339 -5.498 1.00 0.00 O ATOM 911 CB TRP A1995 -7.631 0.303 -4.642 1.00 0.00 C ATOM 912 CG TRP A1995 -6.217 0.790 -4.505 1.00 0.00 C ATOM 913 CD1 TRP A1995 -5.347 1.012 -5.514 1.00 0.00 C ATOM 914 CD2 TRP A1995 -5.477 1.102 -3.292 1.00 0.00 C ATOM 915 NE1 TRP A1995 -4.135 1.423 -5.002 1.00 0.00 N ATOM 916 CE2 TRP A1995 -4.130 1.427 -3.619 1.00 0.00 C ATOM 917 CE3 TRP A1995 -5.818 1.050 -1.930 1.00 0.00 C ATOM 918 CZ2 TRP A1995 -3.167 1.677 -2.620 1.00 0.00 C ATOM 919 CZ3 TRP A1995 -4.859 1.245 -0.921 1.00 0.00 C ATOM 920 CH2 TRP A1995 -3.534 1.566 -1.268 1.00 0.00 C ATOM 0 H TRP A1995 -9.869 -0.667 -5.156 1.00 0.00 H new ATOM 0 HA TRP A1995 -7.411 -0.594 -6.554 1.00 0.00 H new ATOM 0 HB2 TRP A1995 -8.250 1.131 -4.987 1.00 0.00 H new ATOM 0 HB3 TRP A1995 -7.997 0.021 -3.655 1.00 0.00 H new ATOM 0 HD1 TRP A1995 -5.568 0.886 -6.564 1.00 0.00 H new ATOM 0 HE1 TRP A1995 -3.336 1.692 -5.576 1.00 0.00 H new ATOM 0 HE3 TRP A1995 -6.843 0.855 -1.651 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 -2.158 1.951 -2.891 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 -5.139 1.149 0.118 1.00 0.00 H new ATOM 0 HH2 TRP A1995 -2.798 1.727 -0.494 1.00 0.00 H new ATOM 931 N THR A1996 -7.729 -2.954 -4.266 1.00 0.00 N ATOM 932 CA THR A1996 -7.082 -4.183 -3.791 1.00 0.00 C ATOM 933 C THR A1996 -6.596 -5.032 -4.982 1.00 0.00 C ATOM 934 O THR A1996 -5.631 -5.786 -4.852 1.00 0.00 O ATOM 935 CB THR A1996 -8.002 -4.916 -2.799 1.00 0.00 C ATOM 936 OG1 THR A1996 -7.286 -5.658 -1.832 1.00 0.00 O ATOM 937 CG2 THR A1996 -8.948 -5.895 -3.488 1.00 0.00 C ATOM 0 H THR A1996 -8.676 -2.807 -3.916 1.00 0.00 H new ATOM 0 HA THR A1996 -6.180 -3.946 -3.227 1.00 0.00 H new ATOM 0 HB THR A1996 -8.565 -4.114 -2.320 1.00 0.00 H new ATOM 0 HG1 THR A1996 -7.531 -6.605 -1.899 1.00 0.00 H new ATOM 0 HG21 THR A1996 -9.573 -6.384 -2.741 1.00 0.00 H new ATOM 0 HG22 THR A1996 -9.580 -5.355 -4.193 1.00 0.00 H new ATOM 0 HG23 THR A1996 -8.367 -6.647 -4.023 1.00 0.00 H new ATOM 945 N THR A1997 -7.266 -4.940 -6.141 1.00 0.00 N ATOM 946 CA THR A1997 -6.884 -5.698 -7.313 1.00 0.00 C ATOM 947 C THR A1997 -5.517 -5.252 -7.832 1.00 0.00 C ATOM 948 O THR A1997 -4.673 -6.118 -8.066 1.00 0.00 O ATOM 949 CB THR A1997 -7.945 -5.557 -8.422 1.00 0.00 C ATOM 950 OG1 THR A1997 -9.254 -5.791 -7.926 1.00 0.00 O ATOM 951 CG2 THR A1997 -7.679 -6.569 -9.533 1.00 0.00 C ATOM 0 H THR A1997 -8.079 -4.340 -6.278 1.00 0.00 H new ATOM 0 HA THR A1997 -6.817 -6.747 -7.025 1.00 0.00 H new ATOM 0 HB THR A1997 -7.879 -4.537 -8.800 1.00 0.00 H new ATOM 0 HG1 THR A1997 -9.624 -4.955 -7.573 1.00 0.00 H new ATOM 0 HG21 THR A1997 -8.434 -6.461 -10.312 1.00 0.00 H new ATOM 0 HG22 THR A1997 -6.691 -6.391 -9.958 1.00 0.00 H new ATOM 0 HG23 THR A1997 -7.721 -7.578 -9.124 1.00 0.00 H new ATOM 959 N THR A1998 -5.247 -3.946 -7.926 1.00 0.00 N ATOM 960 CA THR A1998 -3.986 -3.442 -8.463 1.00 0.00 C ATOM 961 C THR A1998 -2.798 -4.031 -7.712 1.00 0.00 C ATOM 962 O THR A1998 -1.801 -4.425 -8.320 1.00 0.00 O ATOM 963 CB THR A1998 -3.941 -1.896 -8.439 1.00 0.00 C ATOM 964 OG1 THR A1998 -5.176 -1.314 -8.825 1.00 0.00 O ATOM 965 CG2 THR A1998 -2.847 -1.399 -9.390 1.00 0.00 C ATOM 0 H THR A1998 -5.895 -3.215 -7.633 1.00 0.00 H new ATOM 0 HA THR A1998 -3.921 -3.760 -9.504 1.00 0.00 H new ATOM 0 HB THR A1998 -3.731 -1.596 -7.412 1.00 0.00 H new ATOM 0 HG1 THR A1998 -5.101 -0.337 -8.793 1.00 0.00 H new ATOM 0 HG21 THR A1998 -2.817 -0.310 -9.372 1.00 0.00 H new ATOM 0 HG22 THR A1998 -1.882 -1.794 -9.073 1.00 0.00 H new ATOM 0 HG23 THR A1998 -3.063 -1.739 -10.403 1.00 0.00 H new ATOM 973 N ILE A1999 -2.896 -4.140 -6.389 1.00 0.00 N ATOM 974 CA ILE A1999 -1.810 -4.681 -5.584 1.00 0.00 C ATOM 975 C ILE A1999 -1.577 -6.160 -5.884 1.00 0.00 C ATOM 976 O ILE A1999 -0.431 -6.616 -5.845 1.00 0.00 O ATOM 977 CB ILE A1999 -2.173 -4.446 -4.118 1.00 0.00 C ATOM 978 CG1 ILE A1999 -2.096 -2.930 -3.838 1.00 0.00 C ATOM 979 CG2 ILE A1999 -1.272 -5.190 -3.131 1.00 0.00 C ATOM 980 CD1 ILE A1999 -2.877 -2.606 -2.581 1.00 0.00 C ATOM 0 H ILE A1999 -3.718 -3.860 -5.854 1.00 0.00 H new ATOM 0 HA ILE A1999 -0.871 -4.180 -5.821 1.00 0.00 H new ATOM 0 HB ILE A1999 -3.179 -4.838 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A1999 -1.056 -2.624 -3.722 1.00 0.00 H new ATOM 0 HG13 ILE A1999 -2.500 -2.373 -4.683 1.00 0.00 H new ATOM 0 HG21 ILE A1999 -1.592 -4.973 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A1999 -1.341 -6.263 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE A1999 -0.240 -4.865 -3.264 1.00 0.00 H new ATOM 0 HD11 ILE A1999 -2.822 -1.535 -2.384 1.00 0.00 H new ATOM 0 HD12 ILE A1999 -3.919 -2.897 -2.715 1.00 0.00 H new ATOM 0 HD13 ILE A1999 -2.453 -3.152 -1.738 1.00 0.00 H new ATOM 992 N ASN A2000 -2.638 -6.919 -6.160 1.00 0.00 N ATOM 993 CA ASN A2000 -2.503 -8.335 -6.440 1.00 0.00 C ATOM 994 C ASN A2000 -1.736 -8.503 -7.727 1.00 0.00 C ATOM 995 O ASN A2000 -0.863 -9.354 -7.799 1.00 0.00 O ATOM 996 CB ASN A2000 -3.860 -9.022 -6.630 1.00 0.00 C ATOM 997 CG ASN A2000 -4.707 -8.948 -5.392 1.00 0.00 C ATOM 998 OD1 ASN A2000 -4.191 -8.896 -4.288 1.00 0.00 O ATOM 999 ND2 ASN A2000 -6.016 -8.953 -5.543 1.00 0.00 N ATOM 0 H ASN A2000 -3.596 -6.571 -6.194 1.00 0.00 H new ATOM 0 HA ASN A2000 -1.994 -8.787 -5.589 1.00 0.00 H new ATOM 0 HB2 ASN A2000 -4.390 -8.555 -7.460 1.00 0.00 H new ATOM 0 HB3 ASN A2000 -3.703 -10.066 -6.900 1.00 0.00 H new ATOM 0 HD21 ASN A2000 -6.624 -8.913 -4.725 1.00 0.00 H new ATOM 0 HD22 ASN A2000 -6.421 -8.997 -6.478 1.00 0.00 H new ATOM 1006 N GLN A2001 -2.074 -7.697 -8.734 1.00 0.00 N ATOM 1007 CA GLN A2001 -1.422 -7.738 -10.032 1.00 0.00 C ATOM 1008 C GLN A2001 0.028 -7.283 -9.870 1.00 0.00 C ATOM 1009 O GLN A2001 0.928 -7.875 -10.467 1.00 0.00 O ATOM 1010 CB GLN A2001 -2.199 -6.889 -11.056 1.00 0.00 C ATOM 1011 CG GLN A2001 -3.689 -7.270 -11.077 1.00 0.00 C ATOM 1012 CD GLN A2001 -4.462 -6.786 -12.299 1.00 0.00 C ATOM 1013 OE1 GLN A2001 -4.188 -5.733 -12.869 1.00 0.00 O ATOM 1014 NE2 GLN A2001 -5.469 -7.527 -12.723 1.00 0.00 N ATOM 0 H GLN A2001 -2.812 -6.996 -8.666 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.417 -8.756 -10.420 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -2.094 -5.832 -10.810 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -1.771 -7.029 -12.049 1.00 0.00 H new ATOM 0 HG2 GLN A2001 -3.772 -8.355 -11.020 1.00 0.00 H new ATOM 0 HG3 GLN A2001 -4.164 -6.867 -10.183 1.00 0.00 H new ATOM 0 HE21 GLN A2001 -5.694 -8.401 -12.248 1.00 0.00 H new ATOM 0 HE22 GLN A2001 -6.021 -7.226 -13.526 1.00 0.00 H new ATOM 1023 N THR A2002 0.276 -6.297 -8.999 1.00 0.00 N ATOM 1024 CA THR A2002 1.610 -5.782 -8.755 1.00 0.00 C ATOM 1025 C THR A2002 2.540 -6.860 -8.181 1.00 0.00 C ATOM 1026 O THR A2002 3.642 -7.053 -8.700 1.00 0.00 O ATOM 1027 CB THR A2002 1.592 -4.587 -7.773 1.00 0.00 C ATOM 1028 OG1 THR A2002 0.695 -3.544 -8.113 1.00 0.00 O ATOM 1029 CG2 THR A2002 2.982 -3.943 -7.675 1.00 0.00 C ATOM 0 H THR A2002 -0.450 -5.840 -8.448 1.00 0.00 H new ATOM 0 HA THR A2002 1.985 -5.454 -9.724 1.00 0.00 H new ATOM 0 HB THR A2002 1.263 -5.031 -6.833 1.00 0.00 H new ATOM 0 HG1 THR A2002 -0.227 -3.849 -7.981 1.00 0.00 H new ATOM 0 HG21 THR A2002 2.946 -3.105 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A2002 3.700 -4.681 -7.318 1.00 0.00 H new ATOM 0 HG23 THR A2002 3.287 -3.585 -8.658 1.00 0.00 H new ATOM 1037 N TYR A2003 2.099 -7.595 -7.157 1.00 0.00 N ATOM 1038 CA TYR A2003 2.905 -8.602 -6.469 1.00 0.00 C ATOM 1039 C TYR A2003 2.557 -10.065 -6.734 1.00 0.00 C ATOM 1040 O TYR A2003 3.139 -10.937 -6.093 1.00 0.00 O ATOM 1041 CB TYR A2003 2.831 -8.255 -4.978 1.00 0.00 C ATOM 1042 CG TYR A2003 3.323 -6.859 -4.669 1.00 0.00 C ATOM 1043 CD1 TYR A2003 4.659 -6.516 -4.935 1.00 0.00 C ATOM 1044 CD2 TYR A2003 2.434 -5.896 -4.160 1.00 0.00 C ATOM 1045 CE1 TYR A2003 5.119 -5.224 -4.650 1.00 0.00 C ATOM 1046 CE2 TYR A2003 2.882 -4.593 -3.890 1.00 0.00 C ATOM 1047 CZ TYR A2003 4.235 -4.260 -4.126 1.00 0.00 C ATOM 1048 OH TYR A2003 4.698 -3.016 -3.835 1.00 0.00 O ATOM 0 H TYR A2003 1.156 -7.504 -6.778 1.00 0.00 H new ATOM 0 HA TYR A2003 3.917 -8.550 -6.871 1.00 0.00 H new ATOM 0 HB2 TYR A2003 1.800 -8.354 -4.639 1.00 0.00 H new ATOM 0 HB3 TYR A2003 3.423 -8.976 -4.413 1.00 0.00 H new ATOM 0 HD1 TYR A2003 5.331 -7.248 -5.359 1.00 0.00 H new ATOM 0 HD2 TYR A2003 1.403 -6.159 -3.976 1.00 0.00 H new ATOM 0 HE1 TYR A2003 6.152 -4.967 -4.832 1.00 0.00 H new ATOM 0 HE2 TYR A2003 2.198 -3.851 -3.505 1.00 0.00 H new ATOM 0 HH TYR A2003 5.506 -2.837 -4.359 1.00 0.00 H new ATOM 1058 N ASN A2004 1.667 -10.346 -7.686 1.00 0.00 N ATOM 1059 CA ASN A2004 1.208 -11.688 -8.053 1.00 0.00 C ATOM 1060 C ASN A2004 0.609 -12.421 -6.842 1.00 0.00 C ATOM 1061 O ASN A2004 0.848 -13.613 -6.642 1.00 0.00 O ATOM 1062 CB ASN A2004 2.359 -12.459 -8.724 1.00 0.00 C ATOM 1063 CG ASN A2004 1.926 -13.745 -9.402 1.00 0.00 C ATOM 1064 OD1 ASN A2004 2.533 -14.800 -9.240 1.00 0.00 O ATOM 1065 ND2 ASN A2004 0.876 -13.704 -10.192 1.00 0.00 N ATOM 0 H ASN A2004 1.228 -9.616 -8.246 1.00 0.00 H new ATOM 0 HA ASN A2004 0.399 -11.614 -8.779 1.00 0.00 H new ATOM 0 HB2 ASN A2004 2.834 -11.813 -9.462 1.00 0.00 H new ATOM 0 HB3 ASN A2004 3.113 -12.692 -7.973 1.00 0.00 H new ATOM 0 HD21 ASN A2004 0.565 -14.549 -10.671 1.00 0.00 H new ATOM 0 HD22 ASN A2004 0.372 -12.827 -10.326 1.00 0.00 H new ATOM 1072 N LEU A2005 -0.133 -11.691 -6.000 1.00 0.00 N ATOM 1073 CA LEU A2005 -0.769 -12.197 -4.779 1.00 0.00 C ATOM 1074 C LEU A2005 -2.284 -12.277 -4.962 1.00 0.00 C ATOM 1075 O LEU A2005 -2.786 -12.178 -6.080 1.00 0.00 O ATOM 1076 CB LEU A2005 -0.394 -11.329 -3.559 1.00 0.00 C ATOM 1077 CG LEU A2005 1.110 -11.053 -3.388 1.00 0.00 C ATOM 1078 CD1 LEU A2005 1.336 -10.218 -2.126 1.00 0.00 C ATOM 1079 CD2 LEU A2005 1.977 -12.314 -3.364 1.00 0.00 C ATOM 0 H LEU A2005 -0.313 -10.699 -6.156 1.00 0.00 H new ATOM 0 HA LEU A2005 -0.398 -13.204 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.915 -10.375 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -0.762 -11.819 -2.658 1.00 0.00 H new ATOM 0 HG LEU A2005 1.429 -10.499 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A2005 2.401 -10.023 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A2005 0.801 -9.272 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A2005 0.966 -10.763 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A2005 3.023 -12.034 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A2005 1.671 -12.950 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A2005 1.855 -12.857 -4.301 1.00 0.00 H new ATOM 1091 N ASN A2006 -3.028 -12.501 -3.877 1.00 0.00 N ATOM 1092 CA ASN A2006 -4.483 -12.595 -3.850 1.00 0.00 C ATOM 1093 C ASN A2006 -4.967 -11.871 -2.600 1.00 0.00 C ATOM 1094 O ASN A2006 -4.633 -12.238 -1.476 1.00 0.00 O ATOM 1095 CB ASN A2006 -4.978 -14.048 -3.915 1.00 0.00 C ATOM 1096 CG ASN A2006 -4.677 -14.875 -2.669 1.00 0.00 C ATOM 1097 OD1 ASN A2006 -5.461 -14.879 -1.722 1.00 0.00 O ATOM 1098 ND2 ASN A2006 -3.564 -15.586 -2.637 1.00 0.00 N ATOM 0 H ASN A2006 -2.611 -12.627 -2.955 1.00 0.00 H new ATOM 0 HA ASN A2006 -4.901 -12.121 -4.738 1.00 0.00 H new ATOM 0 HB2 ASN A2006 -6.055 -14.044 -4.082 1.00 0.00 H new ATOM 0 HB3 ASN A2006 -4.523 -14.535 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN A2006 -3.343 -16.151 -1.817 1.00 0.00 H new ATOM 0 HD22 ASN A2006 -2.926 -15.570 -3.432 1.00 0.00 H new ATOM 1105 N LEU A2007 -5.734 -10.805 -2.786 1.00 0.00 N ATOM 1106 CA LEU A2007 -6.290 -9.963 -1.738 1.00 0.00 C ATOM 1107 C LEU A2007 -7.612 -9.426 -2.226 1.00 0.00 C ATOM 1108 O LEU A2007 -7.956 -9.449 -3.416 1.00 0.00 O ATOM 1109 CB LEU A2007 -5.357 -8.774 -1.430 1.00 0.00 C ATOM 1110 CG LEU A2007 -3.871 -9.104 -1.170 1.00 0.00 C ATOM 1111 CD1 LEU A2007 -3.037 -7.832 -1.295 1.00 0.00 C ATOM 1112 CD2 LEU A2007 -3.636 -9.741 0.200 1.00 0.00 C ATOM 0 H LEU A2007 -5.998 -10.489 -3.719 1.00 0.00 H new ATOM 0 HA LEU A2007 -6.409 -10.553 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A2007 -5.409 -8.076 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A2007 -5.747 -8.253 -0.556 1.00 0.00 H new ATOM 0 HG LEU A2007 -3.567 -9.835 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A2007 -1.988 -8.065 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A2007 -3.147 -7.422 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A2007 -3.379 -7.099 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A2007 -2.574 -9.951 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A2007 -3.966 -9.056 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A2007 -4.200 -10.671 0.271 1.00 0.00 H new ATOM 1124 N LYS A2008 -8.372 -9.000 -1.237 1.00 0.00 N ATOM 1125 CA LYS A2008 -9.700 -8.456 -1.326 1.00 0.00 C ATOM 1126 C LYS A2008 -9.843 -7.253 -0.433 1.00 0.00 C ATOM 1127 O LYS A2008 -8.957 -6.941 0.359 1.00 0.00 O ATOM 1128 CB LYS A2008 -10.704 -9.543 -0.951 1.00 0.00 C ATOM 1129 CG LYS A2008 -10.206 -10.624 0.016 1.00 0.00 C ATOM 1130 CD LYS A2008 -11.338 -11.053 0.924 1.00 0.00 C ATOM 1131 CE LYS A2008 -12.458 -11.751 0.137 1.00 0.00 C ATOM 1132 NZ LYS A2008 -13.432 -12.410 1.025 1.00 0.00 N ATOM 0 H LYS A2008 -8.043 -9.031 -0.272 1.00 0.00 H new ATOM 0 HA LYS A2008 -9.894 -8.126 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A2008 -11.577 -9.064 -0.508 1.00 0.00 H new ATOM 0 HB3 LYS A2008 -11.038 -10.031 -1.867 1.00 0.00 H new ATOM 0 HG2 LYS A2008 -9.830 -11.481 -0.543 1.00 0.00 H new ATOM 0 HG3 LYS A2008 -9.376 -10.241 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A2008 -10.956 -11.727 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A2008 -11.743 -10.182 1.439 1.00 0.00 H new ATOM 0 HE2 LYS A2008 -12.973 -11.020 -0.486 1.00 0.00 H new ATOM 0 HE3 LYS A2008 -12.022 -12.491 -0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 -14.170 -12.868 0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 -12.947 -13.127 1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 -13.868 -11.701 1.649 1.00 0.00 H new ATOM 1146 N ALA A2009 -11.031 -6.665 -0.506 1.00 0.00 N ATOM 1147 CA ALA A2009 -11.463 -5.495 0.245 1.00 0.00 C ATOM 1148 C ALA A2009 -11.180 -5.623 1.740 1.00 0.00 C ATOM 1149 O ALA A2009 -10.917 -4.622 2.393 1.00 0.00 O ATOM 1150 CB ALA A2009 -12.959 -5.357 0.054 1.00 0.00 C ATOM 0 H ALA A2009 -11.761 -7.013 -1.128 1.00 0.00 H new ATOM 0 HA ALA A2009 -10.913 -4.629 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A2009 -13.317 -4.487 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A2009 -13.180 -5.232 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA A2009 -13.457 -6.252 0.425 1.00 0.00 H new ATOM 1156 N THR A2010 -11.177 -6.851 2.276 1.00 0.00 N ATOM 1157 CA THR A2010 -10.896 -7.096 3.683 1.00 0.00 C ATOM 1158 C THR A2010 -9.538 -6.463 4.019 1.00 0.00 C ATOM 1159 O THR A2010 -9.367 -5.981 5.127 1.00 0.00 O ATOM 1160 CB THR A2010 -10.988 -8.609 3.961 1.00 0.00 C ATOM 1161 OG1 THR A2010 -11.357 -8.928 5.291 1.00 0.00 O ATOM 1162 CG2 THR A2010 -9.747 -9.402 3.553 1.00 0.00 C ATOM 0 H THR A2010 -11.370 -7.697 1.740 1.00 0.00 H new ATOM 0 HA THR A2010 -11.629 -6.630 4.342 1.00 0.00 H new ATOM 0 HB THR A2010 -11.801 -8.925 3.307 1.00 0.00 H new ATOM 0 HG1 THR A2010 -11.397 -9.902 5.395 1.00 0.00 H new ATOM 0 HG21 THR A2010 -9.897 -10.457 3.784 1.00 0.00 H new ATOM 0 HG22 THR A2010 -9.576 -9.285 2.483 1.00 0.00 H new ATOM 0 HG23 THR A2010 -8.881 -9.030 4.101 1.00 0.00 H new ATOM 1170 N LYS A2011 -8.576 -6.422 3.082 1.00 0.00 N ATOM 1171 CA LYS A2011 -7.279 -5.797 3.343 1.00 0.00 C ATOM 1172 C LYS A2011 -7.451 -4.301 3.596 1.00 0.00 C ATOM 1173 O LYS A2011 -6.826 -3.776 4.506 1.00 0.00 O ATOM 1174 CB LYS A2011 -6.324 -5.999 2.167 1.00 0.00 C ATOM 1175 CG LYS A2011 -5.802 -7.432 2.048 1.00 0.00 C ATOM 1176 CD LYS A2011 -5.091 -7.954 3.308 1.00 0.00 C ATOM 1177 CE LYS A2011 -5.975 -8.880 4.150 1.00 0.00 C ATOM 1178 NZ LYS A2011 -5.258 -9.661 5.186 1.00 0.00 N ATOM 0 H LYS A2011 -8.676 -6.813 2.145 1.00 0.00 H new ATOM 0 HA LYS A2011 -6.856 -6.273 4.228 1.00 0.00 H new ATOM 0 HB2 LYS A2011 -6.835 -5.728 1.243 1.00 0.00 H new ATOM 0 HB3 LYS A2011 -5.478 -5.320 2.274 1.00 0.00 H new ATOM 0 HG2 LYS A2011 -6.638 -8.092 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A2011 -5.111 -7.486 1.207 1.00 0.00 H new ATOM 0 HD2 LYS A2011 -4.188 -8.490 3.014 1.00 0.00 H new ATOM 0 HD3 LYS A2011 -4.775 -7.108 3.918 1.00 0.00 H new ATOM 0 HE2 LYS A2011 -6.744 -8.280 4.637 1.00 0.00 H new ATOM 0 HE3 LYS A2011 -6.487 -9.574 3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 -5.948 -10.152 5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 -4.640 -10.361 4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 -4.683 -9.019 5.768 1.00 0.00 H new ATOM 1192 N LEU A2012 -8.269 -3.611 2.800 1.00 0.00 N ATOM 1193 CA LEU A2012 -8.540 -2.175 2.928 1.00 0.00 C ATOM 1194 C LEU A2012 -9.261 -1.859 4.241 1.00 0.00 C ATOM 1195 O LEU A2012 -9.198 -0.725 4.719 1.00 0.00 O ATOM 1196 CB LEU A2012 -9.353 -1.693 1.698 1.00 0.00 C ATOM 1197 CG LEU A2012 -8.491 -1.115 0.561 1.00 0.00 C ATOM 1198 CD1 LEU A2012 -7.958 0.247 1.018 1.00 0.00 C ATOM 1199 CD2 LEU A2012 -7.325 -2.011 0.158 1.00 0.00 C ATOM 0 H LEU A2012 -8.775 -4.045 2.028 1.00 0.00 H new ATOM 0 HA LEU A2012 -7.593 -1.636 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A2012 -9.934 -2.530 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A2012 -10.065 -0.934 2.022 1.00 0.00 H new ATOM 0 HG LEU A2012 -9.123 -1.030 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A2012 -7.342 0.680 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A2012 -8.795 0.912 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A2012 -7.357 0.119 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A2012 -6.764 -1.538 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A2012 -6.670 -2.163 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A2012 -7.707 -2.974 -0.182 1.00 0.00 H new ATOM 1211 N TYR A2013 -9.925 -2.853 4.830 1.00 0.00 N ATOM 1212 CA TYR A2013 -10.659 -2.748 6.079 1.00 0.00 C ATOM 1213 C TYR A2013 -9.765 -3.075 7.275 1.00 0.00 C ATOM 1214 O TYR A2013 -9.839 -2.406 8.302 1.00 0.00 O ATOM 1215 CB TYR A2013 -11.864 -3.693 5.976 1.00 0.00 C ATOM 1216 CG TYR A2013 -12.774 -3.762 7.184 1.00 0.00 C ATOM 1217 CD1 TYR A2013 -13.758 -2.776 7.390 1.00 0.00 C ATOM 1218 CD2 TYR A2013 -12.686 -4.859 8.061 1.00 0.00 C ATOM 1219 CE1 TYR A2013 -14.679 -2.904 8.446 1.00 0.00 C ATOM 1220 CE2 TYR A2013 -13.597 -4.987 9.122 1.00 0.00 C ATOM 1221 CZ TYR A2013 -14.606 -4.019 9.311 1.00 0.00 C ATOM 1222 OH TYR A2013 -15.486 -4.184 10.337 1.00 0.00 O ATOM 0 H TYR A2013 -9.964 -3.790 4.429 1.00 0.00 H new ATOM 0 HA TYR A2013 -11.004 -1.727 6.243 1.00 0.00 H new ATOM 0 HB2 TYR A2013 -12.461 -3.391 5.116 1.00 0.00 H new ATOM 0 HB3 TYR A2013 -11.493 -4.697 5.770 1.00 0.00 H new ATOM 0 HD1 TYR A2013 -13.806 -1.919 6.735 1.00 0.00 H new ATOM 0 HD2 TYR A2013 -11.917 -5.603 7.918 1.00 0.00 H new ATOM 0 HE1 TYR A2013 -15.440 -2.152 8.595 1.00 0.00 H new ATOM 0 HE2 TYR A2013 -13.525 -5.829 9.795 1.00 0.00 H new ATOM 0 HH TYR A2013 -15.275 -5.011 10.819 1.00 0.00 H new ATOM 1232 N ASP A2014 -8.907 -4.091 7.167 1.00 0.00 N ATOM 1233 CA ASP A2014 -8.012 -4.510 8.241 1.00 0.00 C ATOM 1234 C ASP A2014 -6.807 -3.591 8.343 1.00 0.00 C ATOM 1235 O ASP A2014 -6.303 -3.324 9.433 1.00 0.00 O ATOM 1236 CB ASP A2014 -7.488 -5.921 7.934 1.00 0.00 C ATOM 1237 CG ASP A2014 -7.607 -6.852 9.127 1.00 0.00 C ATOM 1238 OD1 ASP A2014 -6.874 -6.700 10.127 1.00 0.00 O ATOM 1239 OD2 ASP A2014 -8.406 -7.808 9.017 1.00 0.00 O ATOM 0 H ASP A2014 -8.815 -4.651 6.320 1.00 0.00 H new ATOM 0 HA ASP A2014 -8.573 -4.482 9.175 1.00 0.00 H new ATOM 0 HB2 ASP A2014 -8.044 -6.338 7.094 1.00 0.00 H new ATOM 0 HB3 ASP A2014 -6.444 -5.860 7.627 1.00 0.00 H new ATOM 1244 N TYR A2015 -6.354 -3.094 7.194 1.00 0.00 N ATOM 1245 CA TYR A2015 -5.197 -2.238 7.051 1.00 0.00 C ATOM 1246 C TYR A2015 -5.560 -0.966 6.280 1.00 0.00 C ATOM 1247 O TYR A2015 -5.173 -0.803 5.123 1.00 0.00 O ATOM 1248 CB TYR A2015 -4.102 -3.035 6.347 1.00 0.00 C ATOM 1249 CG TYR A2015 -3.819 -4.440 6.841 1.00 0.00 C ATOM 1250 CD1 TYR A2015 -3.712 -4.741 8.214 1.00 0.00 C ATOM 1251 CD2 TYR A2015 -3.726 -5.467 5.887 1.00 0.00 C ATOM 1252 CE1 TYR A2015 -3.630 -6.087 8.626 1.00 0.00 C ATOM 1253 CE2 TYR A2015 -3.582 -6.800 6.290 1.00 0.00 C ATOM 1254 CZ TYR A2015 -3.580 -7.121 7.659 1.00 0.00 C ATOM 1255 OH TYR A2015 -3.562 -8.435 7.995 1.00 0.00 O ATOM 0 H TYR A2015 -6.809 -3.291 6.303 1.00 0.00 H new ATOM 0 HA TYR A2015 -4.836 -1.918 8.029 1.00 0.00 H new ATOM 0 HB2 TYR A2015 -4.361 -3.098 5.290 1.00 0.00 H new ATOM 0 HB3 TYR A2015 -3.176 -2.464 6.415 1.00 0.00 H new ATOM 0 HD1 TYR A2015 -3.693 -3.946 8.945 1.00 0.00 H new ATOM 0 HD2 TYR A2015 -3.766 -5.226 4.835 1.00 0.00 H new ATOM 0 HE1 TYR A2015 -3.605 -6.329 9.678 1.00 0.00 H new ATOM 0 HE2 TYR A2015 -3.473 -7.580 5.551 1.00 0.00 H new ATOM 0 HH TYR A2015 -4.045 -8.564 8.838 1.00 0.00 H new ATOM 1265 N PRO A2016 -6.275 -0.027 6.910 1.00 0.00 N ATOM 1266 CA PRO A2016 -6.669 1.224 6.277 1.00 0.00 C ATOM 1267 C PRO A2016 -5.513 2.213 6.069 1.00 0.00 C ATOM 1268 O PRO A2016 -5.783 3.326 5.629 1.00 0.00 O ATOM 1269 CB PRO A2016 -7.711 1.811 7.222 1.00 0.00 C ATOM 1270 CG PRO A2016 -7.341 1.261 8.596 1.00 0.00 C ATOM 1271 CD PRO A2016 -6.792 -0.118 8.270 1.00 0.00 C ATOM 0 HA PRO A2016 -7.041 1.037 5.270 1.00 0.00 H new ATOM 0 HB2 PRO A2016 -7.686 2.901 7.212 1.00 0.00 H new ATOM 0 HB3 PRO A2016 -8.719 1.513 6.934 1.00 0.00 H new ATOM 0 HG2 PRO A2016 -6.599 1.884 9.095 1.00 0.00 H new ATOM 0 HG3 PRO A2016 -8.207 1.206 9.256 1.00 0.00 H new ATOM 0 HD2 PRO A2016 -6.005 -0.401 8.969 1.00 0.00 H new ATOM 0 HD3 PRO A2016 -7.571 -0.877 8.342 1.00 0.00 H new ATOM 1279 N THR A2017 -4.266 1.880 6.402 1.00 0.00 N ATOM 1280 CA THR A2017 -3.120 2.776 6.221 1.00 0.00 C ATOM 1281 C THR A2017 -2.007 2.102 5.420 1.00 0.00 C ATOM 1282 O THR A2017 -1.933 0.873 5.357 1.00 0.00 O ATOM 1283 CB THR A2017 -2.577 3.289 7.568 1.00 0.00 C ATOM 1284 OG1 THR A2017 -1.847 2.285 8.238 1.00 0.00 O ATOM 1285 CG2 THR A2017 -3.666 3.789 8.515 1.00 0.00 C ATOM 0 H THR A2017 -4.019 0.977 6.807 1.00 0.00 H new ATOM 0 HA THR A2017 -3.478 3.636 5.655 1.00 0.00 H new ATOM 0 HB THR A2017 -1.934 4.130 7.309 1.00 0.00 H new ATOM 0 HG1 THR A2017 -1.512 2.637 9.089 1.00 0.00 H new ATOM 0 HG21 THR A2017 -3.211 4.135 9.443 1.00 0.00 H new ATOM 0 HG22 THR A2017 -4.205 4.612 8.047 1.00 0.00 H new ATOM 0 HG23 THR A2017 -4.360 2.977 8.732 1.00 0.00 H new ATOM 1293 N LEU A2018 -1.106 2.887 4.820 1.00 0.00 N ATOM 1294 CA LEU A2018 0.019 2.377 4.041 1.00 0.00 C ATOM 1295 C LEU A2018 0.923 1.566 4.948 1.00 0.00 C ATOM 1296 O LEU A2018 1.423 0.532 4.508 1.00 0.00 O ATOM 1297 CB LEU A2018 0.863 3.512 3.436 1.00 0.00 C ATOM 1298 CG LEU A2018 0.142 4.510 2.515 1.00 0.00 C ATOM 1299 CD1 LEU A2018 1.128 5.602 2.095 1.00 0.00 C ATOM 1300 CD2 LEU A2018 -0.384 3.823 1.255 1.00 0.00 C ATOM 0 H LEU A2018 -1.141 3.905 4.864 1.00 0.00 H new ATOM 0 HA LEU A2018 -0.391 1.772 3.232 1.00 0.00 H new ATOM 0 HB2 LEU A2018 1.312 4.073 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A2018 1.680 3.062 2.872 1.00 0.00 H new ATOM 0 HG LEU A2018 -0.701 4.932 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A2018 0.625 6.315 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.497 6.120 2.981 1.00 0.00 H new ATOM 0 HD13 LEU A2018 1.966 5.151 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A2018 -0.888 4.555 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.449 3.384 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A2018 -1.088 3.039 1.535 1.00 0.00 H new ATOM 1312 N LEU A2019 1.156 2.001 6.191 1.00 0.00 N ATOM 1313 CA LEU A2019 2.023 1.259 7.100 1.00 0.00 C ATOM 1314 C LEU A2019 1.456 -0.129 7.386 1.00 0.00 C ATOM 1315 O LEU A2019 2.225 -1.089 7.393 1.00 0.00 O ATOM 1316 CB LEU A2019 2.270 2.024 8.410 1.00 0.00 C ATOM 1317 CG LEU A2019 3.106 3.303 8.255 1.00 0.00 C ATOM 1318 CD1 LEU A2019 3.269 3.975 9.619 1.00 0.00 C ATOM 1319 CD2 LEU A2019 4.480 3.096 7.608 1.00 0.00 C ATOM 0 H LEU A2019 0.759 2.855 6.584 1.00 0.00 H new ATOM 0 HA LEU A2019 2.986 1.143 6.602 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.308 2.286 8.850 1.00 0.00 H new ATOM 0 HB3 LEU A2019 2.772 1.360 9.114 1.00 0.00 H new ATOM 0 HG LEU A2019 2.552 3.941 7.566 1.00 0.00 H new ATOM 0 HD11 LEU A2019 3.862 4.883 9.509 1.00 0.00 H new ATOM 0 HD12 LEU A2019 2.287 4.229 10.019 1.00 0.00 H new ATOM 0 HD13 LEU A2019 3.774 3.292 10.303 1.00 0.00 H new ATOM 0 HD21 LEU A2019 4.998 4.053 7.540 1.00 0.00 H new ATOM 0 HD22 LEU A2019 5.068 2.407 8.215 1.00 0.00 H new ATOM 0 HD23 LEU A2019 4.353 2.680 6.608 1.00 0.00 H new ATOM 1331 N GLU A2020 0.148 -0.256 7.604 1.00 0.00 N ATOM 1332 CA GLU A2020 -0.464 -1.552 7.879 1.00 0.00 C ATOM 1333 C GLU A2020 -0.563 -2.398 6.609 1.00 0.00 C ATOM 1334 O GLU A2020 -0.240 -3.587 6.628 1.00 0.00 O ATOM 1335 CB GLU A2020 -1.852 -1.379 8.511 1.00 0.00 C ATOM 1336 CG GLU A2020 -1.800 -0.585 9.817 1.00 0.00 C ATOM 1337 CD GLU A2020 -2.540 -1.221 10.979 1.00 0.00 C ATOM 1338 OE1 GLU A2020 -2.040 -2.242 11.497 1.00 0.00 O ATOM 1339 OE2 GLU A2020 -3.558 -0.632 11.420 1.00 0.00 O ATOM 0 H GLU A2020 -0.508 0.525 7.595 1.00 0.00 H new ATOM 0 HA GLU A2020 0.178 -2.075 8.588 1.00 0.00 H new ATOM 0 HB2 GLU A2020 -2.509 -0.871 7.805 1.00 0.00 H new ATOM 0 HB3 GLU A2020 -2.287 -2.360 8.702 1.00 0.00 H new ATOM 0 HG2 GLU A2020 -0.757 -0.448 10.101 1.00 0.00 H new ATOM 0 HG3 GLU A2020 -2.215 0.407 9.639 1.00 0.00 H new ATOM 1346 N LEU A2021 -0.990 -1.794 5.493 1.00 0.00 N ATOM 1347 CA LEU A2021 -1.159 -2.479 4.214 1.00 0.00 C ATOM 1348 C LEU A2021 0.186 -3.036 3.759 1.00 0.00 C ATOM 1349 O LEU A2021 0.260 -4.170 3.287 1.00 0.00 O ATOM 1350 CB LEU A2021 -1.814 -1.520 3.200 1.00 0.00 C ATOM 1351 CG LEU A2021 -2.551 -2.211 2.039 1.00 0.00 C ATOM 1352 CD1 LEU A2021 -3.870 -2.849 2.492 1.00 0.00 C ATOM 1353 CD2 LEU A2021 -2.920 -1.184 0.963 1.00 0.00 C ATOM 0 H LEU A2021 -1.230 -0.803 5.457 1.00 0.00 H new ATOM 0 HA LEU A2021 -1.832 -3.331 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A2021 -2.520 -0.880 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A2021 -1.043 -0.870 2.786 1.00 0.00 H new ATOM 0 HG LEU A2021 -1.874 -2.977 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A2021 -4.356 -3.325 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A2021 -3.668 -3.597 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A2021 -4.525 -2.079 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A2021 -3.441 -1.684 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A2021 -3.569 -0.422 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A2021 -2.013 -0.715 0.582 1.00 0.00 H new ATOM 1365 N SER A2022 1.256 -2.252 3.923 1.00 0.00 N ATOM 1366 CA SER A2022 2.591 -2.683 3.552 1.00 0.00 C ATOM 1367 C SER A2022 3.072 -3.787 4.493 1.00 0.00 C ATOM 1368 O SER A2022 3.694 -4.739 4.026 1.00 0.00 O ATOM 1369 CB SER A2022 3.593 -1.529 3.570 1.00 0.00 C ATOM 1370 OG SER A2022 3.612 -0.851 4.805 1.00 0.00 O ATOM 0 H SER A2022 1.214 -1.311 4.314 1.00 0.00 H new ATOM 0 HA SER A2022 2.533 -3.064 2.532 1.00 0.00 H new ATOM 0 HB2 SER A2022 4.590 -1.914 3.355 1.00 0.00 H new ATOM 0 HB3 SER A2022 3.345 -0.824 2.776 1.00 0.00 H new ATOM 0 HG SER A2022 2.984 -0.099 4.775 1.00 0.00 H new ATOM 1376 N GLY A2023 2.733 -3.691 5.787 1.00 0.00 N ATOM 1377 CA GLY A2023 3.112 -4.626 6.839 1.00 0.00 C ATOM 1378 C GLY A2023 2.725 -6.057 6.527 1.00 0.00 C ATOM 1379 O GLY A2023 3.423 -6.977 6.952 1.00 0.00 O ATOM 0 H GLY A2023 2.161 -2.922 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A2023 4.190 -4.572 6.994 1.00 0.00 H new ATOM 0 HA3 GLY A2023 2.640 -4.323 7.774 1.00 0.00 H new ATOM 1383 N TYR A2024 1.643 -6.264 5.784 1.00 0.00 N ATOM 1384 CA TYR A2024 1.222 -7.603 5.433 1.00 0.00 C ATOM 1385 C TYR A2024 1.988 -8.080 4.196 1.00 0.00 C ATOM 1386 O TYR A2024 2.629 -9.132 4.220 1.00 0.00 O ATOM 1387 CB TYR A2024 -0.298 -7.600 5.221 1.00 0.00 C ATOM 1388 CG TYR A2024 -0.861 -8.973 4.932 1.00 0.00 C ATOM 1389 CD1 TYR A2024 -0.597 -10.023 5.828 1.00 0.00 C ATOM 1390 CD2 TYR A2024 -1.605 -9.215 3.761 1.00 0.00 C ATOM 1391 CE1 TYR A2024 -1.039 -11.320 5.539 1.00 0.00 C ATOM 1392 CE2 TYR A2024 -2.044 -10.519 3.467 1.00 0.00 C ATOM 1393 CZ TYR A2024 -1.724 -11.584 4.335 1.00 0.00 C ATOM 1394 OH TYR A2024 -2.033 -12.860 3.981 1.00 0.00 O ATOM 0 H TYR A2024 1.048 -5.521 5.418 1.00 0.00 H new ATOM 0 HA TYR A2024 1.449 -8.305 6.235 1.00 0.00 H new ATOM 0 HB2 TYR A2024 -0.782 -7.196 6.110 1.00 0.00 H new ATOM 0 HB3 TYR A2024 -0.542 -6.933 4.394 1.00 0.00 H new ATOM 0 HD1 TYR A2024 -0.053 -9.829 6.740 1.00 0.00 H new ATOM 0 HD2 TYR A2024 -1.838 -8.401 3.090 1.00 0.00 H new ATOM 0 HE1 TYR A2024 -0.855 -12.120 6.240 1.00 0.00 H new ATOM 0 HE2 TYR A2024 -2.626 -10.705 2.576 1.00 0.00 H new ATOM 0 HH TYR A2024 -2.505 -12.856 3.122 1.00 0.00 H new ATOM 1404 N ILE A2025 1.952 -7.290 3.119 1.00 0.00 N ATOM 1405 CA ILE A2025 2.602 -7.591 1.845 1.00 0.00 C ATOM 1406 C ILE A2025 4.112 -7.835 2.002 1.00 0.00 C ATOM 1407 O ILE A2025 4.634 -8.751 1.367 1.00 0.00 O ATOM 1408 CB ILE A2025 2.296 -6.468 0.825 1.00 0.00 C ATOM 1409 CG1 ILE A2025 0.779 -6.233 0.624 1.00 0.00 C ATOM 1410 CG2 ILE A2025 2.944 -6.788 -0.539 1.00 0.00 C ATOM 1411 CD1 ILE A2025 0.457 -5.018 -0.261 1.00 0.00 C ATOM 0 H ILE A2025 1.455 -6.399 3.112 1.00 0.00 H new ATOM 0 HA ILE A2025 2.191 -8.526 1.464 1.00 0.00 H new ATOM 0 HB ILE A2025 2.720 -5.554 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A2025 0.338 -7.124 0.178 1.00 0.00 H new ATOM 0 HG13 ILE A2025 0.309 -6.098 1.598 1.00 0.00 H new ATOM 0 HG21 ILE A2025 2.719 -5.989 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A2025 4.024 -6.872 -0.418 1.00 0.00 H new ATOM 0 HG23 ILE A2025 2.547 -7.729 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A2025 -0.624 -4.915 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A2025 0.868 -4.117 0.194 1.00 0.00 H new ATOM 0 HD13 ILE A2025 0.898 -5.160 -1.248 1.00 0.00 H new ATOM 1423 N ALA A2026 4.806 -7.053 2.835 1.00 0.00 N ATOM 1424 CA ALA A2026 6.242 -7.170 3.076 1.00 0.00 C ATOM 1425 C ALA A2026 6.620 -8.600 3.439 1.00 0.00 C ATOM 1426 O ALA A2026 7.569 -9.134 2.877 1.00 0.00 O ATOM 1427 CB ALA A2026 6.636 -6.262 4.247 1.00 0.00 C ATOM 0 H ALA A2026 4.371 -6.303 3.372 1.00 0.00 H new ATOM 0 HA ALA A2026 6.763 -6.879 2.164 1.00 0.00 H new ATOM 0 HB1 ALA A2026 7.707 -6.347 4.429 1.00 0.00 H new ATOM 0 HB2 ALA A2026 6.390 -5.228 4.004 1.00 0.00 H new ATOM 0 HB3 ALA A2026 6.091 -6.564 5.141 1.00 0.00 H new ATOM 1433 N GLN A2027 5.882 -9.210 4.372 1.00 0.00 N ATOM 1434 CA GLN A2027 6.152 -10.564 4.832 1.00 0.00 C ATOM 1435 C GLN A2027 5.900 -11.603 3.742 1.00 0.00 C ATOM 1436 O GLN A2027 6.557 -12.649 3.728 1.00 0.00 O ATOM 1437 CB GLN A2027 5.312 -10.873 6.078 1.00 0.00 C ATOM 1438 CG GLN A2027 5.510 -9.848 7.202 1.00 0.00 C ATOM 1439 CD GLN A2027 4.836 -10.279 8.500 1.00 0.00 C ATOM 1440 OE1 GLN A2027 3.853 -11.020 8.506 1.00 0.00 O ATOM 1441 NE2 GLN A2027 5.317 -9.805 9.634 1.00 0.00 N ATOM 0 H GLN A2027 5.080 -8.773 4.827 1.00 0.00 H new ATOM 0 HA GLN A2027 7.210 -10.621 5.089 1.00 0.00 H new ATOM 0 HB2 GLN A2027 4.258 -10.902 5.801 1.00 0.00 H new ATOM 0 HB3 GLN A2027 5.572 -11.865 6.448 1.00 0.00 H new ATOM 0 HG2 GLN A2027 6.576 -9.706 7.378 1.00 0.00 H new ATOM 0 HG3 GLN A2027 5.108 -8.885 6.888 1.00 0.00 H new ATOM 0 HE21 GLN A2027 6.132 -9.191 9.625 1.00 0.00 H new ATOM 0 HE22 GLN A2027 4.874 -10.052 10.519 1.00 0.00 H new ATOM 1450 N ILE A2028 4.932 -11.355 2.856 1.00 0.00 N ATOM 1451 CA ILE A2028 4.625 -12.278 1.771 1.00 0.00 C ATOM 1452 C ILE A2028 5.794 -12.241 0.790 1.00 0.00 C ATOM 1453 O ILE A2028 6.396 -13.271 0.502 1.00 0.00 O ATOM 1454 CB ILE A2028 3.299 -11.907 1.064 1.00 0.00 C ATOM 1455 CG1 ILE A2028 2.107 -11.853 2.040 1.00 0.00 C ATOM 1456 CG2 ILE A2028 3.019 -12.917 -0.060 1.00 0.00 C ATOM 1457 CD1 ILE A2028 0.861 -11.199 1.441 1.00 0.00 C ATOM 0 H ILE A2028 4.348 -10.519 2.873 1.00 0.00 H new ATOM 0 HA ILE A2028 4.491 -13.284 2.169 1.00 0.00 H new ATOM 0 HB ILE A2028 3.414 -10.906 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A2028 1.860 -12.866 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A2028 2.403 -11.303 2.933 1.00 0.00 H new ATOM 0 HG21 ILE A2028 2.085 -12.657 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A2028 3.835 -12.893 -0.782 1.00 0.00 H new ATOM 0 HG23 ILE A2028 2.938 -13.918 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.061 -11.194 2.181 1.00 0.00 H new ATOM 0 HD12 ILE A2028 1.092 -10.174 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A2028 0.541 -11.762 0.564 1.00 0.00 H new ATOM 1469 N LEU A2029 6.146 -11.049 0.305 1.00 0.00 N ATOM 1470 CA LEU A2029 7.223 -10.856 -0.655 1.00 0.00 C ATOM 1471 C LEU A2029 8.567 -11.311 -0.109 1.00 0.00 C ATOM 1472 O LEU A2029 9.311 -11.984 -0.816 1.00 0.00 O ATOM 1473 CB LEU A2029 7.289 -9.389 -1.067 1.00 0.00 C ATOM 1474 CG LEU A2029 6.128 -8.963 -1.984 1.00 0.00 C ATOM 1475 CD1 LEU A2029 6.165 -7.444 -2.130 1.00 0.00 C ATOM 1476 CD2 LEU A2029 6.235 -9.641 -3.360 1.00 0.00 C ATOM 0 H LEU A2029 5.682 -10.182 0.575 1.00 0.00 H new ATOM 0 HA LEU A2029 7.005 -11.473 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A2029 7.284 -8.767 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A2029 8.234 -9.204 -1.578 1.00 0.00 H new ATOM 0 HG LEU A2029 5.181 -9.273 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A2029 5.349 -7.121 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A2029 6.055 -6.981 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A2029 7.117 -7.144 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A2029 5.403 -9.323 -3.988 1.00 0.00 H new ATOM 0 HD22 LEU A2029 7.175 -9.358 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A2029 6.203 -10.723 -3.236 1.00 0.00 H new ATOM 1488 N SER A2030 8.870 -10.996 1.151 1.00 0.00 N ATOM 1489 CA SER A2030 10.134 -11.411 1.743 1.00 0.00 C ATOM 1490 C SER A2030 10.257 -12.945 1.778 1.00 0.00 C ATOM 1491 O SER A2030 11.368 -13.483 1.811 1.00 0.00 O ATOM 1492 CB SER A2030 10.321 -10.720 3.097 1.00 0.00 C ATOM 1493 OG SER A2030 9.530 -11.235 4.152 1.00 0.00 O ATOM 0 H SER A2030 8.263 -10.461 1.772 1.00 0.00 H new ATOM 0 HA SER A2030 10.966 -11.086 1.118 1.00 0.00 H new ATOM 0 HB2 SER A2030 11.370 -10.793 3.382 1.00 0.00 H new ATOM 0 HB3 SER A2030 10.096 -9.660 2.980 1.00 0.00 H new ATOM 0 HG SER A2030 8.711 -11.629 3.785 1.00 0.00 H new