USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 605 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 22 GLN : amide:sc= -2.21! C(o=-1.9!,f=-2.6!) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.307 K(o=-1.9,f=-2.6) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0187 K(o=-0.019,f=-1.1) USER MOD Single : A 28 HIS : no HD1:sc= 0.973 K(o=0.97,f=-4.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -110:sc= -0.0115 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 152:sc= -1.2 (180deg=-2.09!) USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0026) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 1.08 (180deg=0.984) USER MOD Single : A 42 LYS NZ :NH3+ 167:sc= -0.0242 (180deg=-0.181) USER MOD Single : A 43 SER OG : rot 92:sc= 1.13 USER MOD Single : A 44 TYR OH : rot 180:sc= 0.0951 USER MOD Single : A 48 THR OG1 : rot -23:sc= 0.43 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 175:sc= -1.24 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0217) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 161:sc= -2.31 (180deg=-3.11) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0132 K(o=-0.013,f=-1) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 3.834 0.266 1.510 1.00 0.00 N ATOM 158 CA TYR A 14 2.706 -0.418 2.104 1.00 0.00 C ATOM 159 C TYR A 14 2.772 -1.901 1.845 1.00 0.00 C ATOM 160 O TYR A 14 3.427 -2.357 0.903 1.00 0.00 O ATOM 161 CB TYR A 14 1.384 0.106 1.594 1.00 0.00 C ATOM 162 CG TYR A 14 1.112 1.554 1.876 1.00 0.00 C ATOM 163 CD1 TYR A 14 1.318 2.508 0.906 1.00 0.00 C ATOM 164 CD2 TYR A 14 0.609 1.956 3.103 1.00 0.00 C ATOM 165 CE1 TYR A 14 1.029 3.839 1.140 1.00 0.00 C ATOM 166 CE2 TYR A 14 0.324 3.284 3.356 1.00 0.00 C ATOM 167 CZ TYR A 14 0.533 4.223 2.367 1.00 0.00 C ATOM 168 OH TYR A 14 0.236 5.550 2.603 1.00 0.00 O ATOM 0 HA TYR A 14 2.766 -0.226 3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.342 -0.050 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.583 -0.489 2.034 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.712 2.211 -0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.437 1.219 3.874 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.191 4.574 0.366 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.059 3.585 4.320 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.105 5.652 3.516 1.00 0.00 H new ATOM 178 N ILE A 15 2.082 -2.640 2.670 1.00 0.00 N ATOM 179 CA ILE A 15 2.040 -4.073 2.583 1.00 0.00 C ATOM 180 C ILE A 15 0.589 -4.510 2.500 1.00 0.00 C ATOM 181 O ILE A 15 -0.320 -3.745 2.835 1.00 0.00 O ATOM 182 CB ILE A 15 2.659 -4.715 3.840 1.00 0.00 C ATOM 183 CG1 ILE A 15 1.720 -4.539 5.027 1.00 0.00 C ATOM 184 CG2 ILE A 15 4.007 -4.108 4.131 1.00 0.00 C ATOM 185 CD1 ILE A 15 2.234 -5.120 6.317 1.00 0.00 C ATOM 0 H ILE A 15 1.525 -2.257 3.433 1.00 0.00 H new ATOM 0 HA ILE A 15 2.602 -4.387 1.704 1.00 0.00 H new ATOM 0 HB ILE A 15 2.800 -5.781 3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.532 -3.475 5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.763 -5.003 4.790 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.430 -4.572 5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.672 -4.275 3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.895 -3.037 4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.504 -4.950 7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.395 -6.191 6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.176 -4.640 6.583 1.00 0.00 H new ATOM 197 N LYS A 16 0.367 -5.701 2.056 1.00 0.00 N ATOM 198 CA LYS A 16 -0.971 -6.226 1.998 1.00 0.00 C ATOM 199 C LYS A 16 -1.222 -7.156 3.149 1.00 0.00 C ATOM 200 O LYS A 16 -0.333 -7.883 3.579 1.00 0.00 O ATOM 201 CB LYS A 16 -1.201 -6.974 0.708 1.00 0.00 C ATOM 202 CG LYS A 16 -1.153 -6.110 -0.527 1.00 0.00 C ATOM 203 CD LYS A 16 -1.519 -6.903 -1.774 1.00 0.00 C ATOM 204 CE LYS A 16 -0.474 -7.963 -2.062 1.00 0.00 C ATOM 205 NZ LYS A 16 -0.769 -8.730 -3.295 1.00 0.00 N ATOM 0 H LYS A 16 1.092 -6.338 1.725 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.658 -5.381 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.450 -7.759 0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.172 -7.466 0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.840 -5.271 -0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.153 -5.691 -0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.493 -7.373 -1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.605 -6.230 -2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.503 -7.489 -2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.414 -8.649 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.026 -9.441 -3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.689 -9.206 -3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.800 -8.082 -4.108 1.00 0.00 H new ATOM 219 N ILE A 17 -2.408 -7.111 3.654 1.00 0.00 N ATOM 220 CA ILE A 17 -2.828 -8.020 4.681 1.00 0.00 C ATOM 221 C ILE A 17 -4.071 -8.749 4.251 1.00 0.00 C ATOM 222 O ILE A 17 -5.063 -8.132 3.846 1.00 0.00 O ATOM 223 CB ILE A 17 -3.071 -7.329 6.047 1.00 0.00 C ATOM 224 CG1 ILE A 17 -1.765 -6.758 6.604 1.00 0.00 C ATOM 225 CG2 ILE A 17 -3.698 -8.298 7.041 1.00 0.00 C ATOM 226 CD1 ILE A 17 -1.941 -6.011 7.907 1.00 0.00 C ATOM 0 H ILE A 17 -3.122 -6.441 3.368 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.009 -8.725 4.824 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.767 -6.505 5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.056 -7.572 6.754 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.327 -6.086 5.866 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.859 -7.790 7.992 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.653 -8.651 6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.031 -9.147 7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.975 -5.634 8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.625 -5.175 7.758 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.350 -6.685 8.660 1.00 0.00 H new ATOM 238 N LYS A 18 -4.019 -10.054 4.313 1.00 0.00 N ATOM 239 CA LYS A 18 -5.152 -10.850 3.971 1.00 0.00 C ATOM 240 C LYS A 18 -5.896 -11.159 5.244 1.00 0.00 C ATOM 241 O LYS A 18 -5.457 -11.983 6.054 1.00 0.00 O ATOM 242 CB LYS A 18 -4.725 -12.151 3.291 1.00 0.00 C ATOM 243 CG LYS A 18 -3.546 -12.000 2.325 1.00 0.00 C ATOM 244 CD LYS A 18 -3.263 -13.295 1.571 1.00 0.00 C ATOM 245 CE LYS A 18 -2.821 -14.404 2.509 1.00 0.00 C ATOM 246 NZ LYS A 18 -2.492 -15.655 1.783 1.00 0.00 N ATOM 0 H LYS A 18 -3.196 -10.584 4.600 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.786 -10.305 3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.460 -12.878 4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.576 -12.559 2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.760 -11.204 1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.657 -11.701 2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.159 -13.607 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.489 -13.120 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.949 -14.074 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.612 -14.603 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.196 -16.384 2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.330 -15.986 1.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.719 -15.474 1.111 1.00 0.00 H new ATOM 260 N VAL A 19 -6.994 -10.487 5.436 1.00 0.00 N ATOM 261 CA VAL A 19 -7.787 -10.673 6.611 1.00 0.00 C ATOM 262 C VAL A 19 -8.715 -11.825 6.400 1.00 0.00 C ATOM 263 O VAL A 19 -9.625 -11.741 5.593 1.00 0.00 O ATOM 264 CB VAL A 19 -8.625 -9.416 6.926 1.00 0.00 C ATOM 265 CG1 VAL A 19 -9.495 -9.639 8.154 1.00 0.00 C ATOM 266 CG2 VAL A 19 -7.729 -8.197 7.106 1.00 0.00 C ATOM 0 H VAL A 19 -7.362 -9.796 4.782 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.115 -10.864 7.448 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.283 -9.227 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.076 -8.739 8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.171 -10.475 7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.862 -9.863 9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.343 -7.324 7.327 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.037 -8.372 7.930 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.165 -8.021 6.190 1.00 0.00 H new ATOM 276 N VAL A 20 -8.497 -12.891 7.114 1.00 0.00 N ATOM 277 CA VAL A 20 -9.342 -14.035 6.984 1.00 0.00 C ATOM 278 C VAL A 20 -10.081 -14.290 8.274 1.00 0.00 C ATOM 279 O VAL A 20 -9.483 -14.417 9.343 1.00 0.00 O ATOM 280 CB VAL A 20 -8.563 -15.294 6.512 1.00 0.00 C ATOM 281 CG1 VAL A 20 -7.377 -15.585 7.408 1.00 0.00 C ATOM 282 CG2 VAL A 20 -9.484 -16.502 6.422 1.00 0.00 C ATOM 0 H VAL A 20 -7.741 -12.989 7.791 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.073 -13.819 6.205 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.177 -15.084 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.857 -16.472 7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.695 -14.735 7.397 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.724 -15.758 8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.914 -17.370 6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.915 -16.705 7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.283 -16.298 5.709 1.00 0.00 H new ATOM 292 N GLY A 21 -11.384 -14.320 8.173 1.00 0.00 N ATOM 293 CA GLY A 21 -12.200 -14.529 9.335 1.00 0.00 C ATOM 294 C GLY A 21 -12.393 -15.992 9.636 1.00 0.00 C ATOM 295 O GLY A 21 -11.960 -16.853 8.869 1.00 0.00 O ATOM 0 H GLY A 21 -11.899 -14.203 7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.739 -14.040 10.194 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.172 -14.059 9.184 1.00 0.00 H new ATOM 299 N GLN A 22 -13.073 -16.278 10.725 1.00 0.00 N ATOM 300 CA GLN A 22 -13.295 -17.651 11.158 1.00 0.00 C ATOM 301 C GLN A 22 -14.376 -18.314 10.345 1.00 0.00 C ATOM 302 O GLN A 22 -14.551 -19.533 10.383 1.00 0.00 O ATOM 303 CB GLN A 22 -13.635 -17.687 12.625 1.00 0.00 C ATOM 304 CG GLN A 22 -12.473 -17.314 13.522 1.00 0.00 C ATOM 305 CD GLN A 22 -12.860 -17.227 14.980 1.00 0.00 C ATOM 306 OE1 GLN A 22 -13.773 -17.911 15.440 1.00 0.00 O ATOM 307 NE2 GLN A 22 -12.174 -16.384 15.713 1.00 0.00 N ATOM 0 H GLN A 22 -13.488 -15.574 11.336 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.372 -18.209 10.998 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.464 -17.005 12.815 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.979 -18.688 12.886 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.679 -18.052 13.405 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.066 -16.355 13.201 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.424 -15.835 15.292 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.390 -16.277 16.704 1.00 0.00 H new ATOM 316 N ASP A 23 -15.086 -17.505 9.616 1.00 0.00 N ATOM 317 CA ASP A 23 -16.094 -17.975 8.691 1.00 0.00 C ATOM 318 C ASP A 23 -15.446 -18.256 7.348 1.00 0.00 C ATOM 319 O ASP A 23 -16.124 -18.416 6.337 1.00 0.00 O ATOM 320 CB ASP A 23 -17.225 -16.948 8.545 1.00 0.00 C ATOM 321 CG ASP A 23 -17.985 -16.732 9.837 1.00 0.00 C ATOM 322 OD1 ASP A 23 -18.630 -17.688 10.318 1.00 0.00 O ATOM 323 OD2 ASP A 23 -17.940 -15.611 10.386 1.00 0.00 O ATOM 0 H ASP A 23 -14.987 -16.490 9.641 1.00 0.00 H new ATOM 0 HA ASP A 23 -16.534 -18.894 9.078 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.808 -15.998 8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.917 -17.282 7.772 1.00 0.00 H new ATOM 328 N SER A 24 -14.104 -18.298 7.364 1.00 0.00 N ATOM 329 CA SER A 24 -13.289 -18.574 6.179 1.00 0.00 C ATOM 330 C SER A 24 -13.415 -17.461 5.147 1.00 0.00 C ATOM 331 O SER A 24 -13.325 -17.696 3.947 1.00 0.00 O ATOM 332 CB SER A 24 -13.678 -19.924 5.565 1.00 0.00 C ATOM 333 OG SER A 24 -13.531 -20.977 6.512 1.00 0.00 O ATOM 0 H SER A 24 -13.554 -18.140 8.208 1.00 0.00 H new ATOM 0 HA SER A 24 -12.246 -18.619 6.493 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.710 -19.885 5.217 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.055 -20.124 4.694 1.00 0.00 H new ATOM 0 HG SER A 24 -13.787 -21.828 6.098 1.00 0.00 H new ATOM 339 N ASN A 25 -13.595 -16.245 5.623 1.00 0.00 N ATOM 340 CA ASN A 25 -13.713 -15.095 4.721 1.00 0.00 C ATOM 341 C ASN A 25 -12.451 -14.264 4.737 1.00 0.00 C ATOM 342 O ASN A 25 -12.137 -13.626 5.732 1.00 0.00 O ATOM 343 CB ASN A 25 -14.915 -14.221 5.075 1.00 0.00 C ATOM 344 CG ASN A 25 -16.243 -14.891 4.775 1.00 0.00 C ATOM 345 OD1 ASN A 25 -16.347 -15.712 3.860 1.00 0.00 O ATOM 346 ND2 ASN A 25 -17.261 -14.546 5.534 1.00 0.00 N ATOM 0 H ASN A 25 -13.663 -16.019 6.615 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.864 -15.491 3.717 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -14.873 -13.967 6.134 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -14.853 -13.285 4.520 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -18.179 -14.962 5.376 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -17.132 -13.863 6.280 1.00 0.00 H new ATOM 353 N GLU A 26 -11.745 -14.277 3.635 1.00 0.00 N ATOM 354 CA GLU A 26 -10.501 -13.541 3.496 1.00 0.00 C ATOM 355 C GLU A 26 -10.664 -12.341 2.562 1.00 0.00 C ATOM 356 O GLU A 26 -11.218 -12.454 1.467 1.00 0.00 O ATOM 357 CB GLU A 26 -9.372 -14.455 3.002 1.00 0.00 C ATOM 358 CG GLU A 26 -8.061 -13.728 2.739 1.00 0.00 C ATOM 359 CD GLU A 26 -6.998 -14.615 2.126 1.00 0.00 C ATOM 360 OE1 GLU A 26 -6.669 -14.414 0.933 1.00 0.00 O ATOM 361 OE2 GLU A 26 -6.485 -15.508 2.818 1.00 0.00 O ATOM 0 H GLU A 26 -12.013 -14.799 2.801 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.233 -13.166 4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.201 -15.237 3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.693 -14.949 2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.248 -12.884 2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.686 -13.318 3.677 1.00 0.00 H new ATOM 368 N VAL A 27 -10.163 -11.208 3.008 1.00 0.00 N ATOM 369 CA VAL A 27 -10.226 -9.963 2.265 1.00 0.00 C ATOM 370 C VAL A 27 -8.867 -9.288 2.306 1.00 0.00 C ATOM 371 O VAL A 27 -8.161 -9.365 3.308 1.00 0.00 O ATOM 372 CB VAL A 27 -11.323 -9.023 2.837 1.00 0.00 C ATOM 373 CG1 VAL A 27 -11.069 -8.724 4.300 1.00 0.00 C ATOM 374 CG2 VAL A 27 -11.418 -7.733 2.033 1.00 0.00 C ATOM 0 H VAL A 27 -9.693 -11.123 3.910 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.491 -10.182 1.231 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.279 -9.541 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.850 -8.064 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.074 -9.654 4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.100 -8.238 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.194 -7.096 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.461 -7.212 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.667 -7.967 0.998 1.00 0.00 H new ATOM 384 N HIS A 28 -8.483 -8.654 1.224 1.00 0.00 N ATOM 385 CA HIS A 28 -7.163 -8.069 1.149 1.00 0.00 C ATOM 386 C HIS A 28 -7.191 -6.566 1.364 1.00 0.00 C ATOM 387 O HIS A 28 -7.739 -5.813 0.559 1.00 0.00 O ATOM 388 CB HIS A 28 -6.497 -8.402 -0.188 1.00 0.00 C ATOM 389 CG HIS A 28 -6.153 -9.858 -0.355 1.00 0.00 C ATOM 390 ND1 HIS A 28 -5.317 -10.328 -1.343 1.00 0.00 N ATOM 391 CD2 HIS A 28 -6.557 -10.952 0.337 1.00 0.00 C ATOM 392 CE1 HIS A 28 -5.224 -11.643 -1.251 1.00 0.00 C ATOM 393 NE2 HIS A 28 -5.965 -12.043 -0.239 1.00 0.00 N ATOM 0 H HIS A 28 -9.058 -8.530 0.391 1.00 0.00 H new ATOM 0 HA HIS A 28 -6.574 -8.505 1.956 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.161 -8.101 -0.998 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.587 -7.811 -0.286 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.224 -10.961 1.187 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -4.639 -12.281 -1.897 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -6.079 -13.010 0.066 1.00 0.00 H new ATOM 401 N PHE A 29 -6.607 -6.150 2.463 1.00 0.00 N ATOM 402 CA PHE A 29 -6.454 -4.741 2.791 1.00 0.00 C ATOM 403 C PHE A 29 -4.998 -4.347 2.718 1.00 0.00 C ATOM 404 O PHE A 29 -4.120 -5.166 2.969 1.00 0.00 O ATOM 405 CB PHE A 29 -6.994 -4.434 4.187 1.00 0.00 C ATOM 406 CG PHE A 29 -8.493 -4.380 4.278 1.00 0.00 C ATOM 407 CD1 PHE A 29 -9.220 -5.461 4.739 1.00 0.00 C ATOM 408 CD2 PHE A 29 -9.174 -3.231 3.901 1.00 0.00 C ATOM 409 CE1 PHE A 29 -10.599 -5.397 4.824 1.00 0.00 C ATOM 410 CE2 PHE A 29 -10.550 -3.164 3.983 1.00 0.00 C ATOM 411 CZ PHE A 29 -11.264 -4.249 4.446 1.00 0.00 C ATOM 0 H PHE A 29 -6.219 -6.781 3.165 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.028 -4.166 2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.628 -5.192 4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.588 -3.478 4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.707 -6.364 5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.620 -2.378 3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.156 -6.248 5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.067 -2.264 3.685 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.341 -4.200 4.513 1.00 0.00 H new ATOM 421 N ARG A 30 -4.735 -3.110 2.363 1.00 0.00 N ATOM 422 CA ARG A 30 -3.371 -2.648 2.291 1.00 0.00 C ATOM 423 C ARG A 30 -3.089 -1.627 3.372 1.00 0.00 C ATOM 424 O ARG A 30 -3.765 -0.601 3.475 1.00 0.00 O ATOM 425 CB ARG A 30 -3.032 -2.073 0.923 1.00 0.00 C ATOM 426 CG ARG A 30 -1.575 -1.664 0.810 1.00 0.00 C ATOM 427 CD ARG A 30 -1.210 -1.240 -0.587 1.00 0.00 C ATOM 428 NE ARG A 30 -1.839 0.024 -0.971 1.00 0.00 N ATOM 429 CZ ARG A 30 -1.774 0.547 -2.197 1.00 0.00 C ATOM 430 NH1 ARG A 30 -1.245 -0.153 -3.192 1.00 0.00 N ATOM 431 NH2 ARG A 30 -2.264 1.752 -2.431 1.00 0.00 N ATOM 0 H ARG A 30 -5.440 -2.413 2.122 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.733 -3.517 2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.259 -2.812 0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.665 -1.207 0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.375 -0.845 1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.941 -2.498 1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.127 -1.141 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.508 -2.019 -1.289 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.359 0.536 -0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.887 -1.093 -3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.196 0.248 -4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.693 2.284 -1.674 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.213 2.150 -3.369 1.00 0.00 H new ATOM 445 N VAL A 31 -2.089 -1.918 4.162 1.00 0.00 N ATOM 446 CA VAL A 31 -1.677 -1.066 5.263 1.00 0.00 C ATOM 447 C VAL A 31 -0.164 -0.974 5.284 1.00 0.00 C ATOM 448 O VAL A 31 0.504 -1.631 4.508 1.00 0.00 O ATOM 449 CB VAL A 31 -2.174 -1.588 6.627 1.00 0.00 C ATOM 450 CG1 VAL A 31 -3.696 -1.672 6.670 1.00 0.00 C ATOM 451 CG2 VAL A 31 -1.548 -2.926 6.945 1.00 0.00 C ATOM 0 H VAL A 31 -1.526 -2.763 4.063 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.122 -0.084 5.104 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.864 -0.875 7.391 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.013 -2.043 7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.120 -0.682 6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.045 -2.351 5.892 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.911 -3.277 7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.817 -3.646 6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.464 -2.821 6.981 1.00 0.00 H new ATOM 461 N LYS A 32 0.370 -0.157 6.140 1.00 0.00 N ATOM 462 CA LYS A 32 1.802 0.001 6.223 1.00 0.00 C ATOM 463 C LYS A 32 2.388 -1.002 7.219 1.00 0.00 C ATOM 464 O LYS A 32 1.669 -1.539 8.056 1.00 0.00 O ATOM 465 CB LYS A 32 2.160 1.432 6.625 1.00 0.00 C ATOM 466 CG LYS A 32 3.589 1.816 6.272 1.00 0.00 C ATOM 467 CD LYS A 32 3.917 3.254 6.644 1.00 0.00 C ATOM 468 CE LYS A 32 3.158 4.243 5.769 1.00 0.00 C ATOM 469 NZ LYS A 32 3.537 5.647 6.056 1.00 0.00 N ATOM 0 H LYS A 32 -0.161 0.416 6.796 1.00 0.00 H new ATOM 0 HA LYS A 32 2.232 -0.195 5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.474 2.122 6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.015 1.548 7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.279 1.146 6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.745 1.677 5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.667 3.426 7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.989 3.423 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.354 4.022 4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.087 4.118 5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.997 6.286 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.327 5.867 7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.554 5.775 5.881 1.00 0.00 H new ATOM 483 N TYR A 33 3.694 -1.248 7.119 1.00 0.00 N ATOM 484 CA TYR A 33 4.392 -2.144 8.059 1.00 0.00 C ATOM 485 C TYR A 33 4.155 -1.690 9.505 1.00 0.00 C ATOM 486 O TYR A 33 3.995 -2.510 10.406 1.00 0.00 O ATOM 487 CB TYR A 33 5.911 -2.106 7.814 1.00 0.00 C ATOM 488 CG TYR A 33 6.392 -2.620 6.476 1.00 0.00 C ATOM 489 CD1 TYR A 33 6.504 -1.768 5.383 1.00 0.00 C ATOM 490 CD2 TYR A 33 6.769 -3.947 6.314 1.00 0.00 C ATOM 491 CE1 TYR A 33 6.974 -2.225 4.168 1.00 0.00 C ATOM 492 CE2 TYR A 33 7.237 -4.413 5.100 1.00 0.00 C ATOM 493 CZ TYR A 33 7.337 -3.548 4.031 1.00 0.00 C ATOM 494 OH TYR A 33 7.801 -4.007 2.821 1.00 0.00 O ATOM 0 H TYR A 33 4.294 -0.844 6.401 1.00 0.00 H new ATOM 0 HA TYR A 33 4.003 -3.150 7.901 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.249 -1.076 7.925 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.398 -2.687 8.597 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.219 -0.732 5.486 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.695 -4.626 7.151 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.057 -1.550 3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.523 -5.449 4.989 1.00 0.00 H new ATOM 0 HH TYR A 33 8.014 -4.961 2.893 1.00 0.00 H new ATOM 504 N GLY A 34 4.147 -0.377 9.711 1.00 0.00 N ATOM 505 CA GLY A 34 3.965 0.175 11.039 1.00 0.00 C ATOM 506 C GLY A 34 2.553 0.662 11.284 1.00 0.00 C ATOM 507 O GLY A 34 2.328 1.512 12.144 1.00 0.00 O ATOM 0 H GLY A 34 4.264 0.319 8.974 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.216 -0.584 11.780 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.660 1.003 11.182 1.00 0.00 H new ATOM 511 N THR A 35 1.609 0.148 10.515 1.00 0.00 N ATOM 512 CA THR A 35 0.222 0.521 10.645 1.00 0.00 C ATOM 513 C THR A 35 -0.351 0.195 12.043 1.00 0.00 C ATOM 514 O THR A 35 -0.003 -0.811 12.659 1.00 0.00 O ATOM 515 CB THR A 35 -0.617 -0.145 9.527 1.00 0.00 C ATOM 516 OG1 THR A 35 -0.849 0.787 8.455 1.00 0.00 O ATOM 517 CG2 THR A 35 -1.928 -0.706 10.048 1.00 0.00 C ATOM 0 H THR A 35 1.789 -0.540 9.784 1.00 0.00 H new ATOM 0 HA THR A 35 0.163 1.604 10.534 1.00 0.00 H new ATOM 0 HB THR A 35 -0.042 -0.989 9.145 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.795 1.043 8.443 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.480 -1.162 9.227 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.725 -1.458 10.811 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.522 0.099 10.481 1.00 0.00 H new ATOM 525 N SER A 36 -1.217 1.079 12.528 1.00 0.00 N ATOM 526 CA SER A 36 -1.842 0.925 13.824 1.00 0.00 C ATOM 527 C SER A 36 -3.094 0.062 13.708 1.00 0.00 C ATOM 528 O SER A 36 -3.696 -0.023 12.637 1.00 0.00 O ATOM 529 CB SER A 36 -2.200 2.295 14.397 1.00 0.00 C ATOM 530 OG SER A 36 -1.042 3.097 14.559 1.00 0.00 O ATOM 0 H SER A 36 -1.501 1.921 12.028 1.00 0.00 H new ATOM 0 HA SER A 36 -1.140 0.432 14.496 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.905 2.797 13.734 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.699 2.172 15.358 1.00 0.00 H new ATOM 0 HG SER A 36 -1.297 3.969 14.925 1.00 0.00 H new ATOM 536 N MET A 37 -3.495 -0.548 14.821 1.00 0.00 N ATOM 537 CA MET A 37 -4.667 -1.435 14.859 1.00 0.00 C ATOM 538 C MET A 37 -5.924 -0.758 14.292 1.00 0.00 C ATOM 539 O MET A 37 -6.756 -1.409 13.666 1.00 0.00 O ATOM 540 CB MET A 37 -4.923 -1.893 16.306 1.00 0.00 C ATOM 541 CG MET A 37 -5.358 -0.772 17.250 1.00 0.00 C ATOM 542 SD MET A 37 -5.353 -1.260 18.990 1.00 0.00 S ATOM 543 CE MET A 37 -6.651 -2.483 19.026 1.00 0.00 C ATOM 0 H MET A 37 -3.023 -0.446 15.720 1.00 0.00 H new ATOM 0 HA MET A 37 -4.450 -2.298 14.229 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.691 -2.666 16.300 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.014 -2.350 16.697 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.695 0.083 17.118 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.360 -0.443 16.975 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.454 -3.199 19.824 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.608 -1.993 19.206 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.685 -3.005 18.070 1.00 0.00 H new ATOM 553 N ALA A 38 -6.027 0.547 14.481 1.00 0.00 N ATOM 554 CA ALA A 38 -7.183 1.307 14.026 1.00 0.00 C ATOM 555 C ALA A 38 -7.339 1.261 12.516 1.00 0.00 C ATOM 556 O ALA A 38 -8.452 1.187 12.011 1.00 0.00 O ATOM 557 CB ALA A 38 -7.109 2.742 14.498 1.00 0.00 C ATOM 0 H ALA A 38 -5.317 1.108 14.951 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.062 0.836 14.465 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.984 3.287 14.144 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.082 2.766 15.587 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.207 3.209 14.103 1.00 0.00 H new ATOM 563 N LYS A 39 -6.218 1.282 11.800 1.00 0.00 N ATOM 564 CA LYS A 39 -6.239 1.333 10.344 1.00 0.00 C ATOM 565 C LYS A 39 -6.977 0.140 9.762 1.00 0.00 C ATOM 566 O LYS A 39 -7.725 0.282 8.827 1.00 0.00 O ATOM 567 CB LYS A 39 -4.816 1.344 9.793 1.00 0.00 C ATOM 568 CG LYS A 39 -4.002 2.575 10.167 1.00 0.00 C ATOM 569 CD LYS A 39 -4.616 3.835 9.592 1.00 0.00 C ATOM 570 CE LYS A 39 -3.719 5.045 9.793 1.00 0.00 C ATOM 571 NZ LYS A 39 -3.519 5.376 11.225 1.00 0.00 N ATOM 0 H LYS A 39 -5.283 1.264 12.207 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.758 2.248 10.057 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.294 0.457 10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.860 1.270 8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.943 2.659 11.252 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.982 2.465 9.800 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.803 3.695 8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.582 4.016 10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.751 4.856 9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.155 5.904 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.914 6.218 11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.440 5.567 11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.063 4.575 11.706 1.00 0.00 H new ATOM 585 N LEU A 40 -6.769 -1.020 10.327 1.00 0.00 N ATOM 586 CA LEU A 40 -7.417 -2.225 9.829 1.00 0.00 C ATOM 587 C LEU A 40 -8.797 -2.424 10.436 1.00 0.00 C ATOM 588 O LEU A 40 -9.748 -2.759 9.730 1.00 0.00 O ATOM 589 CB LEU A 40 -6.553 -3.473 10.045 1.00 0.00 C ATOM 590 CG LEU A 40 -5.855 -3.607 11.406 1.00 0.00 C ATOM 591 CD1 LEU A 40 -5.656 -5.072 11.747 1.00 0.00 C ATOM 592 CD2 LEU A 40 -4.506 -2.910 11.370 1.00 0.00 C ATOM 0 H LEU A 40 -6.159 -1.166 11.131 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.540 -2.082 8.755 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.182 -4.351 9.898 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.789 -3.495 9.268 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.482 -3.142 12.167 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.160 -5.156 12.714 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.625 -5.570 11.791 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.040 -5.543 10.981 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.019 -3.010 12.340 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.882 -3.365 10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.648 -1.853 11.143 1.00 0.00 H new ATOM 604 N LYS A 41 -8.904 -2.212 11.739 1.00 0.00 N ATOM 605 CA LYS A 41 -10.159 -2.413 12.448 1.00 0.00 C ATOM 606 C LYS A 41 -11.224 -1.487 11.933 1.00 0.00 C ATOM 607 O LYS A 41 -12.322 -1.916 11.642 1.00 0.00 O ATOM 608 CB LYS A 41 -9.953 -2.180 13.934 1.00 0.00 C ATOM 609 CG LYS A 41 -9.121 -3.235 14.629 1.00 0.00 C ATOM 610 CD LYS A 41 -8.565 -2.706 15.933 1.00 0.00 C ATOM 611 CE LYS A 41 -9.663 -2.342 16.932 1.00 0.00 C ATOM 612 NZ LYS A 41 -10.360 -3.533 17.468 1.00 0.00 N ATOM 0 H LYS A 41 -8.133 -1.899 12.329 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.486 -3.439 12.280 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.476 -1.210 14.073 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.928 -2.128 14.419 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.731 -4.118 14.820 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.303 -3.546 13.979 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.909 -3.456 16.376 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.954 -1.826 15.733 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.227 -1.779 17.757 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.388 -1.688 16.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.117 -3.231 18.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.772 -4.077 16.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.682 -4.129 17.984 1.00 0.00 H new ATOM 626 N LYS A 42 -10.881 -0.226 11.788 1.00 0.00 N ATOM 627 CA LYS A 42 -11.817 0.754 11.263 1.00 0.00 C ATOM 628 C LYS A 42 -12.185 0.406 9.833 1.00 0.00 C ATOM 629 O LYS A 42 -13.335 0.525 9.428 1.00 0.00 O ATOM 630 CB LYS A 42 -11.239 2.175 11.342 1.00 0.00 C ATOM 631 CG LYS A 42 -12.204 3.261 10.878 1.00 0.00 C ATOM 632 CD LYS A 42 -11.635 4.660 11.095 1.00 0.00 C ATOM 633 CE LYS A 42 -10.431 4.930 10.201 1.00 0.00 C ATOM 634 NZ LYS A 42 -10.796 4.944 8.760 1.00 0.00 N ATOM 0 H LYS A 42 -9.962 0.149 12.025 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.718 0.729 11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.944 2.380 12.371 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.334 2.223 10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.427 3.120 9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.146 3.165 11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.409 5.401 10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.345 4.776 12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.987 5.888 10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.673 4.167 10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.011 5.343 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.986 3.973 8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.647 5.526 8.623 1.00 0.00 H new ATOM 648 N SER A 43 -11.193 -0.031 9.079 1.00 0.00 N ATOM 649 CA SER A 43 -11.392 -0.379 7.679 1.00 0.00 C ATOM 650 C SER A 43 -12.351 -1.561 7.503 1.00 0.00 C ATOM 651 O SER A 43 -13.302 -1.489 6.725 1.00 0.00 O ATOM 652 CB SER A 43 -10.039 -0.671 7.017 1.00 0.00 C ATOM 653 OG SER A 43 -9.283 0.518 6.874 1.00 0.00 O ATOM 0 H SER A 43 -10.237 -0.155 9.412 1.00 0.00 H new ATOM 0 HA SER A 43 -11.856 0.476 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.483 -1.391 7.617 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.198 -1.126 6.039 1.00 0.00 H new ATOM 0 HG SER A 43 -8.715 0.641 7.663 1.00 0.00 H new ATOM 659 N TYR A 44 -12.108 -2.632 8.236 1.00 0.00 N ATOM 660 CA TYR A 44 -12.948 -3.818 8.148 1.00 0.00 C ATOM 661 C TYR A 44 -14.299 -3.590 8.779 1.00 0.00 C ATOM 662 O TYR A 44 -15.331 -3.939 8.202 1.00 0.00 O ATOM 663 CB TYR A 44 -12.273 -4.984 8.819 1.00 0.00 C ATOM 664 CG TYR A 44 -12.985 -6.301 8.619 1.00 0.00 C ATOM 665 CD1 TYR A 44 -12.606 -7.167 7.609 1.00 0.00 C ATOM 666 CD2 TYR A 44 -14.048 -6.664 9.430 1.00 0.00 C ATOM 667 CE1 TYR A 44 -13.265 -8.360 7.412 1.00 0.00 C ATOM 668 CE2 TYR A 44 -14.712 -7.854 9.245 1.00 0.00 C ATOM 669 CZ TYR A 44 -14.317 -8.701 8.233 1.00 0.00 C ATOM 670 OH TYR A 44 -14.984 -9.884 8.031 1.00 0.00 O ATOM 0 H TYR A 44 -11.337 -2.708 8.899 1.00 0.00 H new ATOM 0 HA TYR A 44 -13.096 -4.036 7.090 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.255 -5.071 8.438 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -12.197 -4.782 9.887 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.780 -6.903 6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -14.361 -6.000 10.222 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.959 -9.025 6.618 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -15.537 -8.122 9.888 1.00 0.00 H new ATOM 0 HH TYR A 44 -15.698 -9.974 8.696 1.00 0.00 H new ATOM 680 N ALA A 45 -14.291 -2.994 9.958 1.00 0.00 N ATOM 681 CA ALA A 45 -15.512 -2.745 10.702 1.00 0.00 C ATOM 682 C ALA A 45 -16.457 -1.901 9.882 1.00 0.00 C ATOM 683 O ALA A 45 -17.675 -2.039 9.974 1.00 0.00 O ATOM 684 CB ALA A 45 -15.212 -2.067 12.028 1.00 0.00 C ATOM 0 H ALA A 45 -13.443 -2.671 10.424 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.986 -3.704 10.912 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.144 -1.892 12.566 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.563 -2.707 12.625 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.714 -1.115 11.845 1.00 0.00 H new ATOM 690 N ASP A 46 -15.884 -1.036 9.077 1.00 0.00 N ATOM 691 CA ASP A 46 -16.658 -0.136 8.233 1.00 0.00 C ATOM 692 C ASP A 46 -17.505 -0.888 7.213 1.00 0.00 C ATOM 693 O ASP A 46 -18.684 -0.583 7.040 1.00 0.00 O ATOM 694 CB ASP A 46 -15.750 0.863 7.522 1.00 0.00 C ATOM 695 CG ASP A 46 -16.524 1.808 6.620 1.00 0.00 C ATOM 696 OD1 ASP A 46 -17.271 2.661 7.147 1.00 0.00 O ATOM 697 OD2 ASP A 46 -16.387 1.707 5.376 1.00 0.00 O ATOM 0 H ASP A 46 -14.874 -0.931 8.984 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.336 0.406 8.893 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.200 1.442 8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.012 0.322 6.929 1.00 0.00 H new ATOM 702 N ARG A 47 -16.917 -1.886 6.554 1.00 0.00 N ATOM 703 CA ARG A 47 -17.632 -2.617 5.503 1.00 0.00 C ATOM 704 C ARG A 47 -18.748 -3.467 6.099 1.00 0.00 C ATOM 705 O ARG A 47 -19.728 -3.794 5.429 1.00 0.00 O ATOM 706 CB ARG A 47 -16.687 -3.539 4.708 1.00 0.00 C ATOM 707 CG ARG A 47 -16.384 -4.865 5.397 1.00 0.00 C ATOM 708 CD ARG A 47 -15.605 -5.796 4.493 1.00 0.00 C ATOM 709 NE ARG A 47 -15.536 -7.150 5.041 1.00 0.00 N ATOM 710 CZ ARG A 47 -15.091 -8.217 4.371 1.00 0.00 C ATOM 711 NH1 ARG A 47 -14.632 -8.086 3.132 1.00 0.00 N ATOM 712 NH2 ARG A 47 -15.116 -9.418 4.942 1.00 0.00 N ATOM 0 H ARG A 47 -15.963 -2.205 6.724 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.051 -1.869 4.830 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -17.130 -3.742 3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.749 -3.013 4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -15.815 -4.681 6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.317 -5.343 5.695 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.074 -5.825 3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.596 -5.408 4.354 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.849 -7.290 6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.618 -7.168 2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.293 -8.903 2.625 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.475 -9.524 5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.776 -10.233 4.431 1.00 0.00 H new ATOM 726 N THR A 48 -18.588 -3.828 7.353 1.00 0.00 N ATOM 727 CA THR A 48 -19.516 -4.720 7.995 1.00 0.00 C ATOM 728 C THR A 48 -20.492 -3.987 8.929 1.00 0.00 C ATOM 729 O THR A 48 -21.432 -4.592 9.446 1.00 0.00 O ATOM 730 CB THR A 48 -18.762 -5.856 8.735 1.00 0.00 C ATOM 731 OG1 THR A 48 -19.684 -6.733 9.388 1.00 0.00 O ATOM 732 CG2 THR A 48 -17.767 -5.300 9.745 1.00 0.00 C ATOM 0 H THR A 48 -17.820 -3.514 7.946 1.00 0.00 H new ATOM 0 HA THR A 48 -20.126 -5.168 7.211 1.00 0.00 H new ATOM 0 HB THR A 48 -18.206 -6.420 7.986 1.00 0.00 H new ATOM 0 HG1 THR A 48 -20.525 -6.259 9.554 1.00 0.00 H new ATOM 0 HG21 THR A 48 -17.257 -6.124 10.245 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.034 -4.679 9.230 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.296 -4.699 10.484 1.00 0.00 H new ATOM 740 N GLY A 49 -20.269 -2.693 9.139 1.00 0.00 N ATOM 741 CA GLY A 49 -21.164 -1.911 9.987 1.00 0.00 C ATOM 742 C GLY A 49 -21.069 -2.312 11.443 1.00 0.00 C ATOM 743 O GLY A 49 -22.029 -2.185 12.202 1.00 0.00 O ATOM 0 H GLY A 49 -19.489 -2.170 8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -20.923 -0.853 9.887 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -22.191 -2.038 9.643 1.00 0.00 H new ATOM 747 N VAL A 50 -19.911 -2.798 11.822 1.00 0.00 N ATOM 748 CA VAL A 50 -19.664 -3.264 13.170 1.00 0.00 C ATOM 749 C VAL A 50 -18.788 -2.277 13.911 1.00 0.00 C ATOM 750 O VAL A 50 -17.965 -1.600 13.298 1.00 0.00 O ATOM 751 CB VAL A 50 -18.990 -4.665 13.171 1.00 0.00 C ATOM 752 CG1 VAL A 50 -18.618 -5.107 14.583 1.00 0.00 C ATOM 753 CG2 VAL A 50 -19.908 -5.688 12.528 1.00 0.00 C ATOM 0 H VAL A 50 -19.106 -2.883 11.201 1.00 0.00 H new ATOM 0 HA VAL A 50 -20.627 -3.347 13.674 1.00 0.00 H new ATOM 0 HB VAL A 50 -18.070 -4.592 12.591 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -18.149 -6.090 14.545 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.922 -4.390 15.017 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -19.517 -5.157 15.197 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.425 -6.665 12.535 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -20.842 -5.741 13.087 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -20.117 -5.394 11.500 1.00 0.00 H new ATOM 763 N ALA A 51 -19.013 -2.152 15.217 1.00 0.00 N ATOM 764 CA ALA A 51 -18.200 -1.293 16.056 1.00 0.00 C ATOM 765 C ALA A 51 -16.726 -1.633 15.863 1.00 0.00 C ATOM 766 O ALA A 51 -16.340 -2.807 15.880 1.00 0.00 O ATOM 767 CB ALA A 51 -18.601 -1.468 17.519 1.00 0.00 C ATOM 0 H ALA A 51 -19.758 -2.641 15.714 1.00 0.00 H new ATOM 0 HA ALA A 51 -18.360 -0.253 15.773 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -17.987 -0.820 18.145 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -19.651 -1.203 17.643 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.452 -2.506 17.815 1.00 0.00 H new ATOM 773 N VAL A 52 -15.916 -0.603 15.692 1.00 0.00 N ATOM 774 CA VAL A 52 -14.490 -0.762 15.433 1.00 0.00 C ATOM 775 C VAL A 52 -13.810 -1.492 16.583 1.00 0.00 C ATOM 776 O VAL A 52 -13.002 -2.407 16.374 1.00 0.00 O ATOM 777 CB VAL A 52 -13.813 0.614 15.219 1.00 0.00 C ATOM 778 CG1 VAL A 52 -12.300 0.480 15.136 1.00 0.00 C ATOM 779 CG2 VAL A 52 -14.366 1.291 13.974 1.00 0.00 C ATOM 0 H VAL A 52 -16.225 0.368 15.728 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.382 -1.354 14.524 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.041 1.239 16.083 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.855 1.464 14.986 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.922 0.049 16.063 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.037 -0.168 14.300 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.879 2.257 13.839 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.175 0.663 13.103 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.440 1.439 14.087 1.00 0.00 H new ATOM 789 N ASN A 53 -14.155 -1.101 17.790 1.00 0.00 N ATOM 790 CA ASN A 53 -13.598 -1.715 18.985 1.00 0.00 C ATOM 791 C ASN A 53 -14.053 -3.167 19.091 1.00 0.00 C ATOM 792 O ASN A 53 -13.314 -4.032 19.567 1.00 0.00 O ATOM 793 CB ASN A 53 -14.013 -0.937 20.238 1.00 0.00 C ATOM 794 CG ASN A 53 -13.366 0.436 20.325 1.00 0.00 C ATOM 795 OD1 ASN A 53 -13.934 1.433 19.876 1.00 0.00 O ATOM 796 ND2 ASN A 53 -12.180 0.503 20.898 1.00 0.00 N ATOM 0 H ASN A 53 -14.825 -0.354 17.975 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.511 -1.690 18.910 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.097 -0.823 20.246 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.747 -1.515 21.123 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.703 1.401 20.980 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.739 -0.343 21.259 1.00 0.00 H new ATOM 803 N SER A 54 -15.263 -3.429 18.607 1.00 0.00 N ATOM 804 CA SER A 54 -15.857 -4.756 18.661 1.00 0.00 C ATOM 805 C SER A 54 -15.266 -5.701 17.621 1.00 0.00 C ATOM 806 O SER A 54 -15.508 -6.899 17.676 1.00 0.00 O ATOM 807 CB SER A 54 -17.361 -4.671 18.468 1.00 0.00 C ATOM 808 OG SER A 54 -17.971 -3.953 19.519 1.00 0.00 O ATOM 0 H SER A 54 -15.857 -2.726 18.167 1.00 0.00 H new ATOM 0 HA SER A 54 -15.631 -5.162 19.647 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.581 -4.186 17.517 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.781 -5.676 18.418 1.00 0.00 H new ATOM 0 HG SER A 54 -18.926 -3.843 19.329 1.00 0.00 H new ATOM 814 N LEU A 55 -14.491 -5.175 16.691 1.00 0.00 N ATOM 815 CA LEU A 55 -13.893 -6.012 15.666 1.00 0.00 C ATOM 816 C LEU A 55 -12.523 -6.433 16.152 1.00 0.00 C ATOM 817 O LEU A 55 -11.678 -5.594 16.467 1.00 0.00 O ATOM 818 CB LEU A 55 -13.781 -5.252 14.339 1.00 0.00 C ATOM 819 CG LEU A 55 -14.116 -6.055 13.068 1.00 0.00 C ATOM 820 CD1 LEU A 55 -13.346 -7.366 13.017 1.00 0.00 C ATOM 821 CD2 LEU A 55 -15.609 -6.312 12.976 1.00 0.00 C ATOM 0 H LEU A 55 -14.262 -4.183 16.623 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.518 -6.887 15.488 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.442 -4.387 14.382 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.764 -4.871 14.246 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.811 -5.456 12.210 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.607 -7.906 12.107 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.276 -7.160 13.022 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.603 -7.973 13.885 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.825 -6.880 12.071 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.935 -6.879 13.848 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.141 -5.361 12.943 1.00 0.00 H new ATOM 833 N ARG A 56 -12.305 -7.725 16.210 1.00 0.00 N ATOM 834 CA ARG A 56 -11.121 -8.262 16.846 1.00 0.00 C ATOM 835 C ARG A 56 -10.103 -8.738 15.828 1.00 0.00 C ATOM 836 O ARG A 56 -10.329 -9.731 15.139 1.00 0.00 O ATOM 837 CB ARG A 56 -11.523 -9.442 17.734 1.00 0.00 C ATOM 838 CG ARG A 56 -12.706 -9.161 18.660 1.00 0.00 C ATOM 839 CD ARG A 56 -12.433 -8.006 19.602 1.00 0.00 C ATOM 840 NE ARG A 56 -11.336 -8.305 20.526 1.00 0.00 N ATOM 841 CZ ARG A 56 -10.801 -7.428 21.377 1.00 0.00 C ATOM 842 NH1 ARG A 56 -11.272 -6.188 21.442 1.00 0.00 N ATOM 843 NH2 ARG A 56 -9.799 -7.797 22.165 1.00 0.00 N ATOM 0 H ARG A 56 -12.934 -8.429 15.823 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.665 -7.467 17.437 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.769 -10.292 17.098 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.665 -9.734 18.339 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.589 -8.938 18.061 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.932 -10.056 19.240 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.188 -7.115 19.023 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.335 -7.779 20.170 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.954 -9.251 20.518 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.045 -5.904 20.840 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.861 -5.520 22.094 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.439 -8.750 22.120 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.389 -7.127 22.816 1.00 0.00 H new ATOM 857 N PHE A 57 -8.985 -8.037 15.727 1.00 0.00 N ATOM 858 CA PHE A 57 -7.921 -8.473 14.854 1.00 0.00 C ATOM 859 C PHE A 57 -6.734 -8.939 15.656 1.00 0.00 C ATOM 860 O PHE A 57 -6.229 -8.218 16.527 1.00 0.00 O ATOM 861 CB PHE A 57 -7.490 -7.371 13.917 1.00 0.00 C ATOM 862 CG PHE A 57 -8.484 -7.052 12.862 1.00 0.00 C ATOM 863 CD1 PHE A 57 -9.565 -6.245 13.124 1.00 0.00 C ATOM 864 CD2 PHE A 57 -8.319 -7.551 11.592 1.00 0.00 C ATOM 865 CE1 PHE A 57 -10.468 -5.944 12.136 1.00 0.00 C ATOM 866 CE2 PHE A 57 -9.215 -7.257 10.602 1.00 0.00 C ATOM 867 CZ PHE A 57 -10.289 -6.455 10.872 1.00 0.00 C ATOM 0 H PHE A 57 -8.797 -7.173 16.235 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.307 -9.302 14.262 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.291 -6.471 14.499 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.551 -7.658 13.443 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.705 -5.844 14.117 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.471 -8.183 11.373 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.315 -5.309 12.350 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.075 -7.657 9.609 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.998 -6.222 10.091 1.00 0.00 H new ATOM 877 N LEU A 58 -6.292 -10.133 15.367 1.00 0.00 N ATOM 878 CA LEU A 58 -5.149 -10.707 16.029 1.00 0.00 C ATOM 879 C LEU A 58 -4.163 -11.226 15.010 1.00 0.00 C ATOM 880 O LEU A 58 -4.544 -11.714 13.954 1.00 0.00 O ATOM 881 CB LEU A 58 -5.556 -11.834 16.994 1.00 0.00 C ATOM 882 CG LEU A 58 -5.861 -11.409 18.441 1.00 0.00 C ATOM 883 CD1 LEU A 58 -7.176 -10.659 18.541 1.00 0.00 C ATOM 884 CD2 LEU A 58 -5.852 -12.606 19.375 1.00 0.00 C ATOM 0 H LEU A 58 -6.715 -10.738 14.663 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.678 -9.920 16.618 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.438 -12.330 16.589 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.755 -12.573 17.015 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.069 -10.727 18.751 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.356 -10.376 19.578 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.131 -9.762 17.923 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.987 -11.299 18.194 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.070 -12.277 20.391 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.609 -13.323 19.055 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.870 -13.079 19.350 1.00 0.00 H new ATOM 896 N PHE A 59 -2.905 -11.112 15.317 1.00 0.00 N ATOM 897 CA PHE A 59 -1.877 -11.588 14.436 1.00 0.00 C ATOM 898 C PHE A 59 -1.198 -12.778 15.065 1.00 0.00 C ATOM 899 O PHE A 59 -0.623 -12.662 16.123 1.00 0.00 O ATOM 900 CB PHE A 59 -0.867 -10.477 14.146 1.00 0.00 C ATOM 901 CG PHE A 59 0.245 -10.900 13.235 1.00 0.00 C ATOM 902 CD1 PHE A 59 -0.018 -11.258 11.928 1.00 0.00 C ATOM 903 CD2 PHE A 59 1.551 -10.923 13.681 1.00 0.00 C ATOM 904 CE1 PHE A 59 0.999 -11.636 11.080 1.00 0.00 C ATOM 905 CE2 PHE A 59 2.574 -11.303 12.841 1.00 0.00 C ATOM 906 CZ PHE A 59 2.298 -11.660 11.538 1.00 0.00 C ATOM 0 H PHE A 59 -2.562 -10.689 16.180 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.321 -11.891 13.488 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.389 -9.630 13.700 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.442 -10.129 15.087 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.035 -11.241 11.566 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.773 -10.640 14.699 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.779 -11.913 10.059 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.592 -11.321 13.202 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.099 -11.958 10.878 1.00 0.00 H new ATOM 916 N ASP A 60 -1.314 -13.927 14.426 1.00 0.00 N ATOM 917 CA ASP A 60 -0.720 -15.183 14.929 1.00 0.00 C ATOM 918 C ASP A 60 -1.245 -15.546 16.324 1.00 0.00 C ATOM 919 O ASP A 60 -0.647 -16.356 17.033 1.00 0.00 O ATOM 920 CB ASP A 60 0.811 -15.092 14.968 1.00 0.00 C ATOM 921 CG ASP A 60 1.442 -15.064 13.596 1.00 0.00 C ATOM 922 OD1 ASP A 60 0.755 -15.399 12.613 1.00 0.00 O ATOM 923 OD2 ASP A 60 2.644 -14.722 13.496 1.00 0.00 O ATOM 0 H ASP A 60 -1.818 -14.032 13.545 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.016 -15.969 14.235 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.101 -14.193 15.512 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.205 -15.943 15.524 1.00 0.00 H new ATOM 928 N GLY A 61 -2.371 -14.962 16.702 1.00 0.00 N ATOM 929 CA GLY A 61 -2.964 -15.260 17.987 1.00 0.00 C ATOM 930 C GLY A 61 -2.649 -14.221 19.047 1.00 0.00 C ATOM 931 O GLY A 61 -2.980 -14.406 20.218 1.00 0.00 O ATOM 0 H GLY A 61 -2.886 -14.285 16.139 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.045 -15.336 17.872 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.610 -16.234 18.326 1.00 0.00 H new ATOM 935 N ARG A 62 -2.011 -13.134 18.648 1.00 0.00 N ATOM 936 CA ARG A 62 -1.725 -12.053 19.570 1.00 0.00 C ATOM 937 C ARG A 62 -2.417 -10.784 19.114 1.00 0.00 C ATOM 938 O ARG A 62 -2.577 -10.544 17.918 1.00 0.00 O ATOM 939 CB ARG A 62 -0.205 -11.865 19.751 1.00 0.00 C ATOM 940 CG ARG A 62 0.592 -11.623 18.473 1.00 0.00 C ATOM 941 CD ARG A 62 0.526 -10.176 18.014 1.00 0.00 C ATOM 942 NE ARG A 62 1.343 -9.304 18.852 1.00 0.00 N ATOM 943 CZ ARG A 62 1.359 -7.978 18.767 1.00 0.00 C ATOM 944 NH1 ARG A 62 0.581 -7.356 17.896 1.00 0.00 N ATOM 945 NH2 ARG A 62 2.155 -7.277 19.550 1.00 0.00 N ATOM 0 H ARG A 62 -1.683 -12.979 17.695 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.122 -12.309 20.552 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.040 -11.024 20.424 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.195 -12.751 20.244 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.633 -11.902 18.639 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.211 -12.270 17.683 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.864 -10.107 16.980 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.509 -9.835 18.035 1.00 0.00 H new ATOM 0 HE ARG A 62 1.943 -9.742 19.551 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.034 -7.895 17.286 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.597 -6.338 17.834 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.758 -7.753 20.221 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.167 -6.259 19.485 1.00 0.00 H new ATOM 959 N ARG A 63 -2.825 -9.994 20.066 1.00 0.00 N ATOM 960 CA ARG A 63 -3.610 -8.801 19.812 1.00 0.00 C ATOM 961 C ARG A 63 -2.822 -7.733 19.100 1.00 0.00 C ATOM 962 O ARG A 63 -1.691 -7.439 19.459 1.00 0.00 O ATOM 963 CB ARG A 63 -4.131 -8.277 21.128 1.00 0.00 C ATOM 964 CG ARG A 63 -5.134 -9.204 21.779 1.00 0.00 C ATOM 965 CD ARG A 63 -5.228 -8.940 23.259 1.00 0.00 C ATOM 966 NE ARG A 63 -5.598 -7.554 23.557 1.00 0.00 N ATOM 967 CZ ARG A 63 -4.980 -6.790 24.462 1.00 0.00 C ATOM 968 NH1 ARG A 63 -3.922 -7.255 25.117 1.00 0.00 N ATOM 969 NH2 ARG A 63 -5.418 -5.563 24.701 1.00 0.00 N ATOM 0 H ARG A 63 -2.624 -10.154 21.053 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.436 -9.069 19.153 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.293 -8.122 21.808 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.595 -7.304 20.967 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.113 -9.069 21.318 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.842 -10.240 21.608 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.964 -9.612 23.699 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.270 -9.166 23.727 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.377 -7.146 23.040 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.580 -8.197 24.929 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.452 -6.670 25.807 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.226 -5.202 24.194 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.947 -4.979 25.392 1.00 0.00 H new ATOM 983 N ILE A 64 -3.442 -7.148 18.097 1.00 0.00 N ATOM 984 CA ILE A 64 -2.839 -6.075 17.339 1.00 0.00 C ATOM 985 C ILE A 64 -3.220 -4.761 17.969 1.00 0.00 C ATOM 986 O ILE A 64 -4.402 -4.441 18.081 1.00 0.00 O ATOM 987 CB ILE A 64 -3.319 -6.099 15.867 1.00 0.00 C ATOM 988 CG1 ILE A 64 -2.925 -7.420 15.203 1.00 0.00 C ATOM 989 CG2 ILE A 64 -2.752 -4.915 15.085 1.00 0.00 C ATOM 990 CD1 ILE A 64 -3.521 -7.611 13.827 1.00 0.00 C ATOM 0 H ILE A 64 -4.379 -7.404 17.785 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.756 -6.202 17.348 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.406 -6.014 15.861 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.839 -7.469 15.129 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.238 -8.245 15.842 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.105 -4.957 14.055 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.083 -3.984 15.544 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.663 -4.959 15.097 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.197 -8.569 13.420 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.609 -7.595 13.896 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.187 -6.807 13.171 1.00 0.00 H new ATOM 1002 N ASN A 65 -2.227 -4.018 18.397 1.00 0.00 N ATOM 1003 CA ASN A 65 -2.453 -2.746 19.040 1.00 0.00 C ATOM 1004 C ASN A 65 -1.817 -1.628 18.247 1.00 0.00 C ATOM 1005 O ASN A 65 -0.922 -1.857 17.442 1.00 0.00 O ATOM 1006 CB ASN A 65 -1.911 -2.750 20.471 1.00 0.00 C ATOM 1007 CG ASN A 65 -2.670 -3.690 21.391 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -3.735 -3.348 21.910 1.00 0.00 O ATOM 1009 ND2 ASN A 65 -2.125 -4.869 21.613 1.00 0.00 N ATOM 0 H ASN A 65 -1.244 -4.277 18.310 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.529 -2.579 19.081 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.860 -3.037 20.454 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.959 -1.739 20.874 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.586 -5.535 22.233 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.242 -5.115 21.165 1.00 0.00 H new ATOM 1016 N ASP A 66 -2.287 -0.413 18.471 1.00 0.00 N ATOM 1017 CA ASP A 66 -1.756 0.762 17.780 1.00 0.00 C ATOM 1018 C ASP A 66 -0.360 1.088 18.284 1.00 0.00 C ATOM 1019 O ASP A 66 0.363 1.879 17.686 1.00 0.00 O ATOM 1020 CB ASP A 66 -2.667 1.973 18.003 1.00 0.00 C ATOM 1021 CG ASP A 66 -2.780 2.370 19.466 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -3.415 1.624 20.241 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -2.241 3.432 19.843 1.00 0.00 O ATOM 0 H ASP A 66 -3.039 -0.208 19.129 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.712 0.535 16.715 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.285 2.819 17.431 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.661 1.749 17.615 1.00 0.00 H new ATOM 1028 N ASP A 67 0.001 0.467 19.385 1.00 0.00 N ATOM 1029 CA ASP A 67 1.294 0.678 20.014 1.00 0.00 C ATOM 1030 C ASP A 67 2.368 -0.190 19.366 1.00 0.00 C ATOM 1031 O ASP A 67 3.565 0.092 19.486 1.00 0.00 O ATOM 1032 CB ASP A 67 1.192 0.370 21.506 1.00 0.00 C ATOM 1033 CG ASP A 67 2.480 0.617 22.263 1.00 0.00 C ATOM 1034 OD1 ASP A 67 2.857 1.796 22.436 1.00 0.00 O ATOM 1035 OD2 ASP A 67 3.110 -0.365 22.711 1.00 0.00 O ATOM 0 H ASP A 67 -0.594 -0.202 19.874 1.00 0.00 H new ATOM 0 HA ASP A 67 1.581 1.721 19.878 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.401 0.980 21.942 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.898 -0.672 21.635 1.00 0.00 H new ATOM 1040 N ASP A 68 1.936 -1.239 18.668 1.00 0.00 N ATOM 1041 CA ASP A 68 2.860 -2.178 18.037 1.00 0.00 C ATOM 1042 C ASP A 68 3.724 -1.513 16.982 1.00 0.00 C ATOM 1043 O ASP A 68 3.287 -0.593 16.279 1.00 0.00 O ATOM 1044 CB ASP A 68 2.115 -3.357 17.419 1.00 0.00 C ATOM 1045 CG ASP A 68 1.493 -4.276 18.443 1.00 0.00 C ATOM 1046 OD1 ASP A 68 2.149 -4.573 19.466 1.00 0.00 O ATOM 1047 OD2 ASP A 68 0.358 -4.734 18.224 1.00 0.00 O ATOM 0 H ASP A 68 0.950 -1.460 18.525 1.00 0.00 H new ATOM 0 HA ASP A 68 3.513 -2.543 18.829 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.334 -2.978 16.759 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.806 -3.929 16.800 1.00 0.00 H new ATOM 1052 N THR A 69 4.950 -1.979 16.885 1.00 0.00 N ATOM 1053 CA THR A 69 5.896 -1.472 15.925 1.00 0.00 C ATOM 1054 C THR A 69 6.037 -2.450 14.755 1.00 0.00 C ATOM 1055 O THR A 69 5.751 -3.646 14.897 1.00 0.00 O ATOM 1056 CB THR A 69 7.272 -1.260 16.590 1.00 0.00 C ATOM 1057 OG1 THR A 69 7.730 -2.496 17.157 1.00 0.00 O ATOM 1058 CG2 THR A 69 7.185 -0.202 17.680 1.00 0.00 C ATOM 0 H THR A 69 5.317 -2.725 17.476 1.00 0.00 H new ATOM 0 HA THR A 69 5.530 -0.516 15.551 1.00 0.00 H new ATOM 0 HB THR A 69 7.976 -0.921 15.830 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.605 -2.359 17.577 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.166 -0.068 18.136 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.855 0.742 17.246 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.472 -0.521 18.440 1.00 0.00 H new ATOM 1066 N PRO A 70 6.501 -1.969 13.587 1.00 0.00 N ATOM 1067 CA PRO A 70 6.671 -2.814 12.393 1.00 0.00 C ATOM 1068 C PRO A 70 7.677 -3.947 12.615 1.00 0.00 C ATOM 1069 O PRO A 70 7.648 -4.967 11.923 1.00 0.00 O ATOM 1070 CB PRO A 70 7.203 -1.834 11.332 1.00 0.00 C ATOM 1071 CG PRO A 70 7.751 -0.687 12.111 1.00 0.00 C ATOM 1072 CD PRO A 70 6.877 -0.567 13.320 1.00 0.00 C ATOM 0 HA PRO A 70 5.740 -3.308 12.113 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.974 -2.298 10.717 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.409 -1.511 10.659 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.789 -0.865 12.394 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.734 0.230 11.522 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.408 -0.123 14.162 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.004 0.057 13.129 1.00 0.00 H new ATOM 1080 N LYS A 71 8.547 -3.773 13.597 1.00 0.00 N ATOM 1081 CA LYS A 71 9.571 -4.737 13.887 1.00 0.00 C ATOM 1082 C LYS A 71 9.038 -5.873 14.781 1.00 0.00 C ATOM 1083 O LYS A 71 9.588 -6.971 14.793 1.00 0.00 O ATOM 1084 CB LYS A 71 10.805 -4.014 14.494 1.00 0.00 C ATOM 1085 CG LYS A 71 11.559 -4.797 15.545 1.00 0.00 C ATOM 1086 CD LYS A 71 10.985 -4.540 16.925 1.00 0.00 C ATOM 1087 CE LYS A 71 11.081 -5.767 17.790 1.00 0.00 C ATOM 1088 NZ LYS A 71 12.489 -6.187 18.024 1.00 0.00 N ATOM 0 H LYS A 71 8.555 -2.957 14.209 1.00 0.00 H new ATOM 0 HA LYS A 71 9.890 -5.217 12.962 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.493 -3.765 13.686 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.475 -3.073 14.933 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.508 -5.862 15.318 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.612 -4.517 15.527 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.520 -3.716 17.397 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.942 -4.234 16.837 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.599 -5.572 18.748 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.534 -6.584 17.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.508 -6.973 18.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.913 -6.497 17.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.032 -5.385 18.404 1.00 0.00 H new ATOM 1102 N THR A 72 7.961 -5.605 15.508 1.00 0.00 N ATOM 1103 CA THR A 72 7.390 -6.606 16.387 1.00 0.00 C ATOM 1104 C THR A 72 6.259 -7.335 15.672 1.00 0.00 C ATOM 1105 O THR A 72 6.031 -8.523 15.895 1.00 0.00 O ATOM 1106 CB THR A 72 6.892 -6.000 17.745 1.00 0.00 C ATOM 1107 OG1 THR A 72 6.742 -7.039 18.724 1.00 0.00 O ATOM 1108 CG2 THR A 72 5.562 -5.276 17.585 1.00 0.00 C ATOM 0 H THR A 72 7.472 -4.710 15.504 1.00 0.00 H new ATOM 0 HA THR A 72 8.179 -7.316 16.636 1.00 0.00 H new ATOM 0 HB THR A 72 7.641 -5.280 18.073 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.432 -6.650 19.569 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.251 -4.870 18.548 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.674 -4.463 16.868 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.808 -5.976 17.225 1.00 0.00 H new ATOM 1116 N LEU A 73 5.549 -6.611 14.797 1.00 0.00 N ATOM 1117 CA LEU A 73 4.479 -7.209 14.022 1.00 0.00 C ATOM 1118 C LEU A 73 5.055 -8.124 12.963 1.00 0.00 C ATOM 1119 O LEU A 73 4.402 -9.059 12.534 1.00 0.00 O ATOM 1120 CB LEU A 73 3.614 -6.135 13.366 1.00 0.00 C ATOM 1121 CG LEU A 73 2.843 -5.222 14.318 1.00 0.00 C ATOM 1122 CD1 LEU A 73 2.130 -4.126 13.542 1.00 0.00 C ATOM 1123 CD2 LEU A 73 1.849 -6.028 15.137 1.00 0.00 C ATOM 0 H LEU A 73 5.702 -5.619 14.616 1.00 0.00 H new ATOM 0 HA LEU A 73 3.852 -7.790 14.698 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.254 -5.515 12.738 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.899 -6.626 12.706 1.00 0.00 H new ATOM 0 HG LEU A 73 3.553 -4.755 15.000 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.586 -3.485 14.235 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.862 -3.531 12.996 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.430 -4.575 12.838 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.308 -5.363 15.810 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.143 -6.521 14.469 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.382 -6.779 15.720 1.00 0.00 H new ATOM 1135 N GLU A 74 6.300 -7.837 12.554 1.00 0.00 N ATOM 1136 CA GLU A 74 7.030 -8.664 11.596 1.00 0.00 C ATOM 1137 C GLU A 74 6.194 -9.001 10.345 1.00 0.00 C ATOM 1138 O GLU A 74 6.345 -10.074 9.752 1.00 0.00 O ATOM 1139 CB GLU A 74 7.461 -9.927 12.302 1.00 0.00 C ATOM 1140 CG GLU A 74 8.434 -9.698 13.432 1.00 0.00 C ATOM 1141 CD GLU A 74 8.755 -10.966 14.183 1.00 0.00 C ATOM 1142 OE1 GLU A 74 7.914 -11.415 14.984 1.00 0.00 O ATOM 1143 OE2 GLU A 74 9.861 -11.515 13.992 1.00 0.00 O ATOM 0 H GLU A 74 6.824 -7.025 12.881 1.00 0.00 H new ATOM 0 HA GLU A 74 7.895 -8.105 11.239 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.578 -10.431 12.694 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.916 -10.600 11.575 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.355 -9.272 13.034 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.017 -8.966 14.123 1.00 0.00 H new ATOM 1150 N MET A 75 5.339 -8.078 9.942 1.00 0.00 N ATOM 1151 CA MET A 75 4.477 -8.278 8.790 1.00 0.00 C ATOM 1152 C MET A 75 5.170 -7.863 7.504 1.00 0.00 C ATOM 1153 O MET A 75 6.128 -7.083 7.525 1.00 0.00 O ATOM 1154 CB MET A 75 3.186 -7.479 8.948 1.00 0.00 C ATOM 1155 CG MET A 75 2.383 -7.850 10.174 1.00 0.00 C ATOM 1156 SD MET A 75 0.865 -6.890 10.321 1.00 0.00 S ATOM 1157 CE MET A 75 0.235 -7.492 11.881 1.00 0.00 C ATOM 0 H MET A 75 5.223 -7.174 10.400 1.00 0.00 H new ATOM 0 HA MET A 75 4.245 -9.341 8.733 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.430 -6.418 8.993 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.568 -7.627 8.062 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.136 -8.911 10.135 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.993 -7.697 11.064 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.493 -6.784 12.277 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.244 -8.459 11.731 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.057 -7.600 12.588 1.00 0.00 H new ATOM 1167 N GLU A 76 4.686 -8.382 6.394 1.00 0.00 N ATOM 1168 CA GLU A 76 5.202 -8.047 5.099 1.00 0.00 C ATOM 1169 C GLU A 76 4.081 -8.150 4.101 1.00 0.00 C ATOM 1170 O GLU A 76 2.946 -8.460 4.476 1.00 0.00 O ATOM 1171 CB GLU A 76 6.397 -8.931 4.690 1.00 0.00 C ATOM 1172 CG GLU A 76 6.098 -10.419 4.596 1.00 0.00 C ATOM 1173 CD GLU A 76 7.282 -11.206 4.059 1.00 0.00 C ATOM 1174 OE1 GLU A 76 8.435 -10.857 4.386 1.00 0.00 O ATOM 1175 OE2 GLU A 76 7.066 -12.169 3.294 1.00 0.00 O ATOM 0 H GLU A 76 3.918 -9.052 6.374 1.00 0.00 H new ATOM 0 HA GLU A 76 5.586 -7.027 5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.768 -8.589 3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.202 -8.783 5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.829 -10.797 5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.235 -10.575 3.948 1.00 0.00 H new ATOM 1182 N ASP A 77 4.377 -7.887 2.851 1.00 0.00 N ATOM 1183 CA ASP A 77 3.366 -7.891 1.815 1.00 0.00 C ATOM 1184 C ASP A 77 2.620 -9.225 1.743 1.00 0.00 C ATOM 1185 O ASP A 77 3.223 -10.293 1.757 1.00 0.00 O ATOM 1186 CB ASP A 77 3.986 -7.550 0.458 1.00 0.00 C ATOM 1187 CG ASP A 77 2.942 -7.342 -0.620 1.00 0.00 C ATOM 1188 OD1 ASP A 77 2.072 -6.469 -0.436 1.00 0.00 O ATOM 1189 OD2 ASP A 77 3.002 -8.030 -1.661 1.00 0.00 O ATOM 0 H ASP A 77 5.317 -7.666 2.522 1.00 0.00 H new ATOM 0 HA ASP A 77 2.635 -7.125 2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.589 -6.647 0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.659 -8.353 0.157 1.00 0.00 H new ATOM 1194 N ASP A 78 1.299 -9.113 1.784 1.00 0.00 N ATOM 1195 CA ASP A 78 0.335 -10.222 1.611 1.00 0.00 C ATOM 1196 C ASP A 78 0.358 -11.250 2.739 1.00 0.00 C ATOM 1197 O ASP A 78 0.064 -12.428 2.535 1.00 0.00 O ATOM 1198 CB ASP A 78 0.383 -10.865 0.184 1.00 0.00 C ATOM 1199 CG ASP A 78 1.490 -11.899 -0.059 1.00 0.00 C ATOM 1200 OD1 ASP A 78 1.275 -13.094 0.231 1.00 0.00 O ATOM 1201 OD2 ASP A 78 2.552 -11.533 -0.602 1.00 0.00 O ATOM 0 H ASP A 78 0.839 -8.217 1.944 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.645 -9.752 1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.578 -11.341 -0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.495 -10.065 -0.548 1.00 0.00 H new ATOM 1206 N ASP A 79 0.645 -10.784 3.951 1.00 0.00 N ATOM 1207 CA ASP A 79 0.623 -11.658 5.117 1.00 0.00 C ATOM 1208 C ASP A 79 -0.816 -11.873 5.567 1.00 0.00 C ATOM 1209 O ASP A 79 -1.747 -11.316 4.985 1.00 0.00 O ATOM 1210 CB ASP A 79 1.462 -11.112 6.269 1.00 0.00 C ATOM 1211 CG ASP A 79 2.094 -12.231 7.082 1.00 0.00 C ATOM 1212 OD1 ASP A 79 1.376 -12.903 7.845 1.00 0.00 O ATOM 1213 OD2 ASP A 79 3.316 -12.457 6.936 1.00 0.00 O ATOM 0 H ASP A 79 0.893 -9.815 4.150 1.00 0.00 H new ATOM 0 HA ASP A 79 1.066 -12.610 4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.243 -10.462 5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.836 -10.500 6.918 1.00 0.00 H new ATOM 1218 N VAL A 80 -1.000 -12.661 6.592 1.00 0.00 N ATOM 1219 CA VAL A 80 -2.325 -13.034 7.036 1.00 0.00 C ATOM 1220 C VAL A 80 -2.653 -12.438 8.394 1.00 0.00 C ATOM 1221 O VAL A 80 -1.768 -12.188 9.213 1.00 0.00 O ATOM 1222 CB VAL A 80 -2.460 -14.564 7.128 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.249 -15.192 5.772 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.466 -15.123 8.135 1.00 0.00 C ATOM 0 H VAL A 80 -0.242 -13.063 7.144 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.024 -12.641 6.298 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.468 -14.805 7.467 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.348 -16.275 5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.995 -14.811 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.252 -14.945 5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.573 -16.206 8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.452 -14.874 7.822 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.660 -14.690 9.116 1.00 0.00 H new ATOM 1234 N ILE A 81 -3.925 -12.215 8.619 1.00 0.00 N ATOM 1235 CA ILE A 81 -4.405 -11.693 9.871 1.00 0.00 C ATOM 1236 C ILE A 81 -5.571 -12.546 10.345 1.00 0.00 C ATOM 1237 O ILE A 81 -6.361 -13.044 9.530 1.00 0.00 O ATOM 1238 CB ILE A 81 -4.831 -10.190 9.755 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -4.033 -9.332 10.733 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -6.322 -9.999 10.003 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -2.564 -9.228 10.396 1.00 0.00 C ATOM 0 H ILE A 81 -4.659 -12.392 7.933 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.594 -11.734 10.598 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.617 -9.874 8.734 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.462 -8.330 10.757 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.138 -9.748 11.735 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.573 -8.942 9.913 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.889 -10.571 9.269 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.572 -10.347 11.005 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.064 -8.603 11.136 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.118 -10.223 10.401 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.448 -8.783 9.408 1.00 0.00 H new ATOM 1253 N GLU A 82 -5.671 -12.721 11.636 1.00 0.00 N ATOM 1254 CA GLU A 82 -6.710 -13.531 12.212 1.00 0.00 C ATOM 1255 C GLU A 82 -7.769 -12.648 12.832 1.00 0.00 C ATOM 1256 O GLU A 82 -7.459 -11.638 13.461 1.00 0.00 O ATOM 1257 CB GLU A 82 -6.108 -14.450 13.257 1.00 0.00 C ATOM 1258 CG GLU A 82 -5.036 -15.374 12.699 1.00 0.00 C ATOM 1259 CD GLU A 82 -5.622 -16.537 11.934 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -5.962 -17.551 12.574 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -5.768 -16.439 10.701 1.00 0.00 O ATOM 0 H GLU A 82 -5.035 -12.306 12.317 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.177 -14.134 11.433 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.678 -13.847 14.057 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.901 -15.051 13.702 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.376 -14.806 12.043 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.424 -15.752 13.518 1.00 0.00 H new ATOM 1268 N VAL A 83 -9.006 -13.017 12.652 1.00 0.00 N ATOM 1269 CA VAL A 83 -10.108 -12.251 13.188 1.00 0.00 C ATOM 1270 C VAL A 83 -10.950 -13.094 14.121 1.00 0.00 C ATOM 1271 O VAL A 83 -11.327 -14.223 13.798 1.00 0.00 O ATOM 1272 CB VAL A 83 -11.002 -11.659 12.071 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -12.222 -10.958 12.654 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -10.212 -10.687 11.238 1.00 0.00 C ATOM 0 H VAL A 83 -9.283 -13.851 12.134 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.672 -11.423 13.747 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.345 -12.483 11.445 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.830 -10.553 11.845 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.812 -11.672 13.229 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.898 -10.147 13.306 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.850 -10.276 10.455 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.847 -9.878 11.871 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.365 -11.202 10.783 1.00 0.00 H new ATOM 1284 N TYR A 84 -11.210 -12.555 15.281 1.00 0.00 N ATOM 1285 CA TYR A 84 -12.029 -13.206 16.262 1.00 0.00 C ATOM 1286 C TYR A 84 -13.426 -12.618 16.251 1.00 0.00 C ATOM 1287 O TYR A 84 -13.654 -11.576 15.632 1.00 0.00 O ATOM 1288 CB TYR A 84 -11.375 -13.155 17.636 1.00 0.00 C ATOM 1289 CG TYR A 84 -10.180 -14.083 17.742 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -8.913 -13.674 17.360 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -10.332 -15.380 18.210 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -7.833 -14.533 17.442 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -9.259 -16.240 18.299 1.00 0.00 C ATOM 1294 CZ TYR A 84 -8.013 -15.812 17.915 1.00 0.00 C ATOM 1295 OH TYR A 84 -6.943 -16.672 17.994 1.00 0.00 O ATOM 0 H TYR A 84 -10.856 -11.644 15.573 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.124 -14.262 16.007 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.058 -12.134 17.847 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.109 -13.424 18.395 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.767 -12.669 16.993 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.311 -15.723 18.511 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.852 -14.201 17.136 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -9.398 -17.245 18.669 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.242 -17.535 18.350 1.00 0.00 H new ATOM 1305 N GLN A 85 -14.354 -13.268 16.931 1.00 0.00 N ATOM 1306 CA GLN A 85 -15.752 -12.888 16.836 1.00 0.00 C ATOM 1307 C GLN A 85 -16.011 -11.527 17.460 1.00 0.00 C ATOM 1308 O GLN A 85 -15.553 -11.224 18.572 1.00 0.00 O ATOM 1309 CB GLN A 85 -16.640 -13.947 17.481 1.00 0.00 C ATOM 1310 CG GLN A 85 -16.479 -15.335 16.871 1.00 0.00 C ATOM 1311 CD GLN A 85 -16.779 -15.369 15.383 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -17.599 -14.603 14.879 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -16.117 -16.257 14.674 1.00 0.00 N ATOM 0 H GLN A 85 -14.167 -14.056 17.551 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.000 -12.817 15.777 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -16.413 -13.999 18.546 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -17.682 -13.639 17.391 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -15.460 -15.683 17.038 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -17.142 -16.031 17.385 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -15.445 -16.875 15.129 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -16.276 -16.328 13.669 1.00 0.00 H new ATOM 1322 N GLU A 86 -16.749 -10.720 16.724 1.00 0.00 N ATOM 1323 CA GLU A 86 -17.054 -9.358 17.093 1.00 0.00 C ATOM 1324 C GLU A 86 -18.187 -9.276 18.118 1.00 0.00 C ATOM 1325 O GLU A 86 -19.007 -10.186 18.236 1.00 0.00 O ATOM 1326 CB GLU A 86 -17.395 -8.550 15.839 1.00 0.00 C ATOM 1327 CG GLU A 86 -18.771 -8.853 15.250 1.00 0.00 C ATOM 1328 CD GLU A 86 -18.941 -10.301 14.800 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -17.965 -10.906 14.335 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -20.061 -10.838 14.941 1.00 0.00 O ATOM 0 H GLU A 86 -17.161 -11.002 15.834 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.170 -8.933 17.569 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.342 -7.488 16.080 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -16.637 -8.743 15.080 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.534 -8.621 15.993 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.945 -8.195 14.399 1.00 0.00 H new ATOM 1337 N GLN A 87 -18.224 -8.169 18.843 1.00 0.00 N ATOM 1338 CA GLN A 87 -19.203 -7.958 19.902 1.00 0.00 C ATOM 1339 C GLN A 87 -20.577 -7.535 19.371 1.00 0.00 C ATOM 1340 O GLN A 87 -21.598 -8.133 19.716 1.00 0.00 O ATOM 1341 CB GLN A 87 -18.673 -6.922 20.890 1.00 0.00 C ATOM 1342 CG GLN A 87 -19.636 -6.579 22.002 1.00 0.00 C ATOM 1343 CD GLN A 87 -19.018 -5.683 23.048 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -17.803 -5.705 23.266 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -19.842 -4.900 23.706 1.00 0.00 N ATOM 0 H GLN A 87 -17.577 -7.391 18.715 1.00 0.00 H new ATOM 0 HA GLN A 87 -19.347 -8.914 20.405 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.747 -7.294 21.328 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -18.424 -6.011 20.346 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -20.513 -6.088 21.580 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.982 -7.498 22.475 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.839 -4.915 23.493 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -19.485 -4.277 24.430 1.00 0.00 H new ATOM 1354 N LEU A 88 -20.599 -6.498 18.539 1.00 0.00 N ATOM 1355 CA LEU A 88 -21.854 -5.976 18.000 1.00 0.00 C ATOM 1356 C LEU A 88 -22.541 -6.998 17.095 1.00 0.00 C ATOM 1357 O LEU A 88 -23.760 -7.162 17.139 1.00 0.00 O ATOM 1358 CB LEU A 88 -21.624 -4.653 17.261 1.00 0.00 C ATOM 1359 CG LEU A 88 -22.878 -3.986 16.680 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -23.875 -3.664 17.783 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -22.503 -2.723 15.925 1.00 0.00 C ATOM 0 H LEU A 88 -19.765 -6.003 18.223 1.00 0.00 H new ATOM 0 HA LEU A 88 -22.520 -5.782 18.841 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -21.148 -3.953 17.948 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -20.920 -4.830 16.448 1.00 0.00 H new ATOM 0 HG LEU A 88 -23.346 -4.683 15.985 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -24.757 -3.192 17.350 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -24.168 -4.584 18.289 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -23.416 -2.985 18.502 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -23.403 -2.261 15.519 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -22.012 -2.026 16.604 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -21.825 -2.974 15.110 1.00 0.00 H new