USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 637 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 14 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-9!) USER MOD Set 1.2: A 16 SER OG : rot 180:sc=-0.00503 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.318 K(o=-0.32,f=-2.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0364 X(o=-0.036,f=-0.06) USER MOD Single : A 38 SER OG : rot 36:sc= 0.0785 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 70:sc= -1.43 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= -0.391 (180deg=-0.471) USER MOD Single : A 56 GLN : amide:sc= -2.48 K(o=-2.5,f=-1.6) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.0877 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc=-0.00947 X(o=-0.0095,f=-0.14) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 110:sc= -0.465 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.292 K(o=-0.29,f=-2.1!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N HIS A 14 -4.858 -18.433 4.384 1.00 0.00 N ATOM 151 CA HIS A 14 -3.514 -18.233 3.869 1.00 0.00 C ATOM 152 C HIS A 14 -2.790 -17.185 4.718 1.00 0.00 C ATOM 153 O HIS A 14 -3.385 -16.186 5.118 1.00 0.00 O ATOM 154 CB HIS A 14 -3.549 -17.871 2.383 1.00 0.00 C ATOM 155 CG HIS A 14 -2.332 -18.323 1.612 1.00 0.00 C ATOM 156 ND1 HIS A 14 -1.204 -17.536 1.462 1.00 0.00 N ATOM 157 CD2 HIS A 14 -2.078 -19.489 0.951 1.00 0.00 C ATOM 158 CE1 HIS A 14 -0.318 -18.207 0.741 1.00 0.00 C ATOM 159 NE2 HIS A 14 -0.862 -19.417 0.425 1.00 0.00 N ATOM 0 HA HIS A 14 -2.950 -19.163 3.943 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.437 -18.314 1.932 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.648 -16.790 2.285 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.752 -20.329 0.870 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.663 -17.857 0.454 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.409 -20.147 -0.125 1.00 0.00 H new ATOM 167 N PRO A 15 -1.482 -17.457 4.973 1.00 0.00 N ATOM 168 CA PRO A 15 -0.671 -16.550 5.767 1.00 0.00 C ATOM 169 C PRO A 15 -0.291 -15.306 4.960 1.00 0.00 C ATOM 170 O PRO A 15 -0.059 -14.240 5.528 1.00 0.00 O ATOM 171 CB PRO A 15 0.535 -17.371 6.194 1.00 0.00 C ATOM 172 CG PRO A 15 0.587 -18.559 5.247 1.00 0.00 C ATOM 173 CD PRO A 15 -0.744 -18.630 4.516 1.00 0.00 C ATOM 0 HA PRO A 15 -1.202 -16.164 6.637 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.450 -16.782 6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.437 -17.700 7.228 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.407 -18.446 4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.769 -19.481 5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.603 -18.613 3.435 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.277 -19.550 4.753 1.00 0.00 H new ATOM 181 N SER A 16 -0.239 -15.484 3.648 1.00 0.00 N ATOM 182 CA SER A 16 0.109 -14.390 2.758 1.00 0.00 C ATOM 183 C SER A 16 -1.095 -13.465 2.570 1.00 0.00 C ATOM 184 O SER A 16 -0.953 -12.243 2.591 1.00 0.00 O ATOM 185 CB SER A 16 0.593 -14.913 1.404 1.00 0.00 C ATOM 186 OG SER A 16 1.587 -15.924 1.547 1.00 0.00 O ATOM 0 H SER A 16 -0.432 -16.370 3.180 1.00 0.00 H new ATOM 0 HA SER A 16 0.925 -13.827 3.212 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.254 -15.313 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.998 -14.087 0.820 1.00 0.00 H new ATOM 0 HG SER A 16 1.869 -16.233 0.661 1.00 0.00 H new ATOM 192 N ILE A 17 -2.253 -14.083 2.391 1.00 0.00 N ATOM 193 CA ILE A 17 -3.481 -13.331 2.200 1.00 0.00 C ATOM 194 C ILE A 17 -3.799 -12.549 3.475 1.00 0.00 C ATOM 195 O ILE A 17 -4.033 -11.342 3.426 1.00 0.00 O ATOM 196 CB ILE A 17 -4.612 -14.257 1.748 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.329 -14.833 0.360 1.00 0.00 C ATOM 198 CG2 ILE A 17 -5.964 -13.542 1.807 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.542 -13.777 -0.726 1.00 0.00 C ATOM 0 H ILE A 17 -2.367 -15.097 2.374 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.359 -12.601 1.400 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.661 -15.097 2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.304 -15.202 0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.983 -15.686 0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.750 -14.223 1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.162 -13.223 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.944 -12.671 1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.334 -14.213 -1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.574 -13.428 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.870 -12.937 -0.553 1.00 0.00 H new ATOM 211 N SER A 18 -3.798 -13.268 4.588 1.00 0.00 N ATOM 212 CA SER A 18 -4.083 -12.656 5.875 1.00 0.00 C ATOM 213 C SER A 18 -3.077 -11.538 6.158 1.00 0.00 C ATOM 214 O SER A 18 -3.334 -10.661 6.980 1.00 0.00 O ATOM 215 CB SER A 18 -4.051 -13.695 6.998 1.00 0.00 C ATOM 216 OG SER A 18 -4.266 -13.105 8.277 1.00 0.00 O ATOM 0 H SER A 18 -3.604 -14.269 4.625 1.00 0.00 H new ATOM 0 HA SER A 18 -5.086 -12.232 5.837 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.815 -14.451 6.814 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.088 -14.206 6.992 1.00 0.00 H new ATOM 0 HG SER A 18 -4.240 -13.801 8.967 1.00 0.00 H new ATOM 222 N ARG A 19 -1.953 -11.607 5.459 1.00 0.00 N ATOM 223 CA ARG A 19 -0.908 -10.611 5.625 1.00 0.00 C ATOM 224 C ARG A 19 -1.217 -9.371 4.784 1.00 0.00 C ATOM 225 O ARG A 19 -1.228 -8.254 5.299 1.00 0.00 O ATOM 226 CB ARG A 19 0.456 -11.171 5.213 1.00 0.00 C ATOM 227 CG ARG A 19 1.500 -10.057 5.121 1.00 0.00 C ATOM 228 CD ARG A 19 1.622 -9.308 6.450 1.00 0.00 C ATOM 229 NE ARG A 19 3.041 -9.242 6.866 1.00 0.00 N ATOM 230 CZ ARG A 19 3.717 -10.270 7.397 1.00 0.00 C ATOM 231 NH1 ARG A 19 3.107 -11.450 7.580 1.00 0.00 N ATOM 232 NH2 ARG A 19 5.002 -10.119 7.744 1.00 0.00 N ATOM 0 H ARG A 19 -1.744 -12.336 4.777 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.874 -10.339 6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.780 -11.919 5.937 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.371 -11.675 4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.466 -10.481 4.849 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.224 -9.359 4.330 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.217 -8.301 6.348 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.033 -9.812 7.216 1.00 0.00 H new ATOM 0 HE ARG A 19 3.535 -8.359 6.741 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.129 -11.565 7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.621 -12.233 7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.466 -9.221 7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.516 -10.902 8.148 1.00 0.00 H new ATOM 246 N LEU A 20 -1.461 -9.610 3.504 1.00 0.00 N ATOM 247 CA LEU A 20 -1.770 -8.526 2.587 1.00 0.00 C ATOM 248 C LEU A 20 -3.006 -7.776 3.088 1.00 0.00 C ATOM 249 O LEU A 20 -3.061 -6.549 3.021 1.00 0.00 O ATOM 250 CB LEU A 20 -1.910 -9.056 1.158 1.00 0.00 C ATOM 251 CG LEU A 20 -0.683 -8.894 0.259 1.00 0.00 C ATOM 252 CD1 LEU A 20 -0.850 -9.679 -1.043 1.00 0.00 C ATOM 253 CD2 LEU A 20 -0.383 -7.415 0.003 1.00 0.00 C ATOM 0 H LEU A 20 -1.451 -10.538 3.080 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.951 -7.808 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.162 -10.115 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.752 -8.550 0.685 1.00 0.00 H new ATOM 0 HG LEU A 20 0.179 -9.312 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.036 -9.547 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.979 -10.737 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.726 -9.313 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.494 -7.327 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.239 -6.950 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.190 -6.913 0.951 1.00 0.00 H new ATOM 265 N GLN A 21 -3.967 -8.545 3.579 1.00 0.00 N ATOM 266 CA GLN A 21 -5.198 -7.969 4.091 1.00 0.00 C ATOM 267 C GLN A 21 -4.890 -6.948 5.189 1.00 0.00 C ATOM 268 O GLN A 21 -5.593 -5.948 5.327 1.00 0.00 O ATOM 269 CB GLN A 21 -6.142 -9.058 4.604 1.00 0.00 C ATOM 270 CG GLN A 21 -7.106 -9.511 3.506 1.00 0.00 C ATOM 271 CD GLN A 21 -8.370 -10.129 4.107 1.00 0.00 C ATOM 272 OE1 GLN A 21 -9.161 -9.473 4.764 1.00 0.00 O ATOM 273 NE2 GLN A 21 -8.515 -11.425 3.844 1.00 0.00 N ATOM 0 H GLN A 21 -3.917 -9.562 3.633 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.702 -7.454 3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.562 -9.910 4.957 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.707 -8.682 5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.375 -8.660 2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.613 -10.238 2.861 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.814 -11.914 3.287 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.327 -11.930 4.199 1.00 0.00 H new ATOM 282 N GLU A 22 -3.839 -7.236 5.942 1.00 0.00 N ATOM 283 CA GLU A 22 -3.429 -6.356 7.024 1.00 0.00 C ATOM 284 C GLU A 22 -2.673 -5.148 6.467 1.00 0.00 C ATOM 285 O GLU A 22 -2.834 -4.031 6.957 1.00 0.00 O ATOM 286 CB GLU A 22 -2.581 -7.108 8.051 1.00 0.00 C ATOM 287 CG GLU A 22 -3.396 -7.428 9.306 1.00 0.00 C ATOM 288 CD GLU A 22 -3.122 -6.408 10.413 1.00 0.00 C ATOM 289 OE1 GLU A 22 -3.057 -5.206 10.073 1.00 0.00 O ATOM 290 OE2 GLU A 22 -2.982 -6.852 11.573 1.00 0.00 O ATOM 0 H GLU A 22 -3.259 -8.066 5.825 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.323 -5.997 7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.206 -8.032 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.712 -6.507 8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.459 -7.430 9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.148 -8.429 9.659 1.00 0.00 H new ATOM 297 N ILE A 23 -1.866 -5.413 5.451 1.00 0.00 N ATOM 298 CA ILE A 23 -1.084 -4.361 4.823 1.00 0.00 C ATOM 299 C ILE A 23 -2.024 -3.402 4.090 1.00 0.00 C ATOM 300 O ILE A 23 -1.839 -2.187 4.138 1.00 0.00 O ATOM 301 CB ILE A 23 0.002 -4.962 3.928 1.00 0.00 C ATOM 302 CG1 ILE A 23 1.217 -5.389 4.752 1.00 0.00 C ATOM 303 CG2 ILE A 23 0.382 -3.996 2.804 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.760 -6.736 4.272 1.00 0.00 C ATOM 0 H ILE A 23 -1.736 -6.340 5.047 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.556 -3.777 5.577 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.400 -5.860 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.997 -4.631 4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.941 -5.458 5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.156 -4.447 2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.496 -3.784 2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.758 -3.067 3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.624 -7.016 4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.986 -7.497 4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.058 -6.657 3.227 1.00 0.00 H new ATOM 316 N GLN A 24 -3.013 -3.984 3.427 1.00 0.00 N ATOM 317 CA GLN A 24 -3.982 -3.197 2.684 1.00 0.00 C ATOM 318 C GLN A 24 -4.748 -2.268 3.630 1.00 0.00 C ATOM 319 O GLN A 24 -4.621 -1.048 3.544 1.00 0.00 O ATOM 320 CB GLN A 24 -4.942 -4.099 1.906 1.00 0.00 C ATOM 321 CG GLN A 24 -4.508 -4.230 0.445 1.00 0.00 C ATOM 322 CD GLN A 24 -5.712 -4.145 -0.495 1.00 0.00 C ATOM 323 OE1 GLN A 24 -6.785 -3.692 -0.131 1.00 0.00 O ATOM 324 NE2 GLN A 24 -5.476 -4.605 -1.720 1.00 0.00 N ATOM 0 H GLN A 24 -3.164 -4.992 3.389 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.444 -2.585 1.960 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.976 -5.085 2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.951 -3.690 1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.796 -3.442 0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.994 -5.180 0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.554 -4.971 -1.959 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.217 -4.592 -2.421 1.00 0.00 H new ATOM 333 N ARG A 25 -5.525 -2.883 4.510 1.00 0.00 N ATOM 334 CA ARG A 25 -6.311 -2.127 5.470 1.00 0.00 C ATOM 335 C ARG A 25 -5.441 -1.069 6.152 1.00 0.00 C ATOM 336 O ARG A 25 -5.947 -0.046 6.612 1.00 0.00 O ATOM 337 CB ARG A 25 -6.912 -3.046 6.535 1.00 0.00 C ATOM 338 CG ARG A 25 -5.831 -3.568 7.483 1.00 0.00 C ATOM 339 CD ARG A 25 -6.449 -4.358 8.638 1.00 0.00 C ATOM 340 NE ARG A 25 -5.849 -3.931 9.922 1.00 0.00 N ATOM 341 CZ ARG A 25 -6.277 -4.340 11.124 1.00 0.00 C ATOM 342 NH1 ARG A 25 -7.311 -5.188 11.214 1.00 0.00 N ATOM 343 NH2 ARG A 25 -5.672 -3.900 12.236 1.00 0.00 N ATOM 0 H ARG A 25 -5.627 -3.896 4.578 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.121 -1.641 4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.668 -2.504 7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.415 -3.885 6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.137 -4.204 6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.254 -2.732 7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.527 -4.201 8.661 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.286 -5.425 8.488 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.060 -3.285 9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.772 -5.522 10.368 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.637 -5.499 12.129 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.886 -3.254 12.167 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.998 -4.211 13.151 1.00 0.00 H new ATOM 357 N GLU A 26 -4.147 -1.350 6.195 1.00 0.00 N ATOM 358 CA GLU A 26 -3.202 -0.436 6.813 1.00 0.00 C ATOM 359 C GLU A 26 -2.980 0.783 5.916 1.00 0.00 C ATOM 360 O GLU A 26 -3.285 1.910 6.306 1.00 0.00 O ATOM 361 CB GLU A 26 -1.879 -1.139 7.121 1.00 0.00 C ATOM 362 CG GLU A 26 -1.995 -1.999 8.381 1.00 0.00 C ATOM 363 CD GLU A 26 -1.466 -1.249 9.606 1.00 0.00 C ATOM 364 OE1 GLU A 26 -1.699 -0.023 9.665 1.00 0.00 O ATOM 365 OE2 GLU A 26 -0.840 -1.920 10.455 1.00 0.00 O ATOM 0 H GLU A 26 -3.731 -2.199 5.812 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.622 -0.095 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.590 -1.763 6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.091 -0.397 7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.037 -2.277 8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.435 -2.925 8.247 1.00 0.00 H new ATOM 372 N VAL A 27 -2.450 0.518 4.731 1.00 0.00 N ATOM 373 CA VAL A 27 -2.182 1.579 3.776 1.00 0.00 C ATOM 374 C VAL A 27 -3.489 2.304 3.447 1.00 0.00 C ATOM 375 O VAL A 27 -3.506 3.525 3.300 1.00 0.00 O ATOM 376 CB VAL A 27 -1.488 1.006 2.538 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.274 0.164 2.932 1.00 0.00 C ATOM 378 CG2 VAL A 27 -2.467 0.195 1.687 1.00 0.00 C ATOM 0 H VAL A 27 -2.199 -0.417 4.411 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.500 2.314 4.203 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.134 1.842 1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.201 -0.232 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.438 0.784 3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.595 -0.662 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.949 -0.201 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.865 -0.630 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.286 0.837 1.363 1.00 0.00 H new ATOM 388 N LYS A 28 -4.553 1.521 3.341 1.00 0.00 N ATOM 389 CA LYS A 28 -5.861 2.073 3.032 1.00 0.00 C ATOM 390 C LYS A 28 -6.197 3.171 4.042 1.00 0.00 C ATOM 391 O LYS A 28 -6.845 4.159 3.698 1.00 0.00 O ATOM 392 CB LYS A 28 -6.909 0.960 2.961 1.00 0.00 C ATOM 393 CG LYS A 28 -7.310 0.676 1.513 1.00 0.00 C ATOM 394 CD LYS A 28 -8.363 1.676 1.030 1.00 0.00 C ATOM 395 CE LYS A 28 -8.373 1.767 -0.497 1.00 0.00 C ATOM 396 NZ LYS A 28 -9.336 0.798 -1.068 1.00 0.00 N ATOM 0 H LYS A 28 -4.536 0.509 3.464 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.856 2.537 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.512 0.053 3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.789 1.247 3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.431 0.730 0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.702 -0.338 1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.348 1.373 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.159 2.659 1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.639 2.778 -0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.374 1.568 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.330 0.873 -2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.065 -0.166 -0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.291 1.006 -0.711 1.00 0.00 H new ATOM 410 N ALA A 29 -5.743 2.962 5.269 1.00 0.00 N ATOM 411 CA ALA A 29 -5.988 3.922 6.332 1.00 0.00 C ATOM 412 C ALA A 29 -5.099 5.149 6.120 1.00 0.00 C ATOM 413 O ALA A 29 -5.172 6.113 6.881 1.00 0.00 O ATOM 414 CB ALA A 29 -5.747 3.256 7.688 1.00 0.00 C ATOM 0 H ALA A 29 -5.207 2.142 5.551 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.025 4.258 6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.931 3.976 8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.423 2.408 7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.716 2.908 7.744 1.00 0.00 H new ATOM 420 N ILE A 30 -4.280 5.074 5.081 1.00 0.00 N ATOM 421 CA ILE A 30 -3.377 6.167 4.759 1.00 0.00 C ATOM 422 C ILE A 30 -3.830 6.829 3.456 1.00 0.00 C ATOM 423 O ILE A 30 -3.382 7.926 3.125 1.00 0.00 O ATOM 424 CB ILE A 30 -1.929 5.674 4.728 1.00 0.00 C ATOM 425 CG1 ILE A 30 -1.515 5.278 3.309 1.00 0.00 C ATOM 426 CG2 ILE A 30 -1.716 4.535 5.726 1.00 0.00 C ATOM 427 CD1 ILE A 30 -0.511 6.277 2.731 1.00 0.00 C ATOM 0 H ILE A 30 -4.223 4.274 4.451 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.412 6.932 5.535 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.282 6.496 5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.076 4.281 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.396 5.231 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.679 4.203 5.684 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.944 4.886 6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.374 3.703 5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.234 5.972 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.962 7.269 2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.379 6.303 3.360 1.00 0.00 H new ATOM 439 N GLU A 31 -4.712 6.135 2.752 1.00 0.00 N ATOM 440 CA GLU A 31 -5.231 6.642 1.493 1.00 0.00 C ATOM 441 C GLU A 31 -5.809 8.045 1.684 1.00 0.00 C ATOM 442 O GLU A 31 -5.562 8.938 0.875 1.00 0.00 O ATOM 443 CB GLU A 31 -6.278 5.692 0.909 1.00 0.00 C ATOM 444 CG GLU A 31 -7.162 6.411 -0.112 1.00 0.00 C ATOM 445 CD GLU A 31 -8.297 5.503 -0.591 1.00 0.00 C ATOM 446 OE1 GLU A 31 -9.044 5.019 0.286 1.00 0.00 O ATOM 447 OE2 GLU A 31 -8.391 5.314 -1.823 1.00 0.00 O ATOM 0 H GLU A 31 -5.081 5.225 3.030 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.408 6.703 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.782 4.846 0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.896 5.289 1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.578 7.314 0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.559 6.725 -0.964 1.00 0.00 H new ATOM 454 N PRO A 32 -6.590 8.200 2.787 1.00 0.00 N ATOM 455 CA PRO A 32 -7.205 9.480 3.094 1.00 0.00 C ATOM 456 C PRO A 32 -6.173 10.468 3.643 1.00 0.00 C ATOM 457 O PRO A 32 -6.325 11.679 3.490 1.00 0.00 O ATOM 458 CB PRO A 32 -8.307 9.157 4.091 1.00 0.00 C ATOM 459 CG PRO A 32 -7.969 7.788 4.657 1.00 0.00 C ATOM 460 CD PRO A 32 -6.905 7.165 3.767 1.00 0.00 C ATOM 0 HA PRO A 32 -7.615 9.972 2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.351 9.906 4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.283 9.149 3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.606 7.877 5.681 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.858 7.158 4.688 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.023 6.883 4.342 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.273 6.260 3.283 1.00 0.00 H new ATOM 468 N GLN A 33 -5.147 9.913 4.271 1.00 0.00 N ATOM 469 CA GLN A 33 -4.090 10.730 4.843 1.00 0.00 C ATOM 470 C GLN A 33 -3.292 11.419 3.734 1.00 0.00 C ATOM 471 O GLN A 33 -2.617 12.417 3.979 1.00 0.00 O ATOM 472 CB GLN A 33 -3.175 9.893 5.739 1.00 0.00 C ATOM 473 CG GLN A 33 -3.810 9.665 7.112 1.00 0.00 C ATOM 474 CD GLN A 33 -2.739 9.510 8.193 1.00 0.00 C ATOM 475 OE1 GLN A 33 -2.371 10.451 8.877 1.00 0.00 O ATOM 476 NE2 GLN A 33 -2.261 8.275 8.309 1.00 0.00 N ATOM 0 H GLN A 33 -5.025 8.908 4.396 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.548 11.499 5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.974 8.933 5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.216 10.397 5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.462 10.503 7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.435 8.772 7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.613 7.533 7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.542 8.069 9.003 1.00 0.00 H new ATOM 485 N VAL A 34 -3.396 10.857 2.539 1.00 0.00 N ATOM 486 CA VAL A 34 -2.692 11.405 1.391 1.00 0.00 C ATOM 487 C VAL A 34 -3.619 12.363 0.639 1.00 0.00 C ATOM 488 O VAL A 34 -3.203 13.450 0.242 1.00 0.00 O ATOM 489 CB VAL A 34 -2.163 10.270 0.511 1.00 0.00 C ATOM 490 CG1 VAL A 34 -1.697 10.801 -0.846 1.00 0.00 C ATOM 491 CG2 VAL A 34 -1.041 9.506 1.217 1.00 0.00 C ATOM 0 H VAL A 34 -3.957 10.028 2.340 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.824 11.980 1.714 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.982 9.573 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.326 9.975 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.533 11.278 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.899 11.529 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.683 8.705 0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.220 10.188 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.420 9.080 2.146 1.00 0.00 H new ATOM 501 N VAL A 35 -4.857 11.924 0.467 1.00 0.00 N ATOM 502 CA VAL A 35 -5.846 12.729 -0.230 1.00 0.00 C ATOM 503 C VAL A 35 -6.134 13.992 0.583 1.00 0.00 C ATOM 504 O VAL A 35 -6.275 15.077 0.022 1.00 0.00 O ATOM 505 CB VAL A 35 -7.099 11.895 -0.504 1.00 0.00 C ATOM 506 CG1 VAL A 35 -8.183 12.741 -1.176 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.765 10.663 -1.347 1.00 0.00 C ATOM 0 H VAL A 35 -5.198 11.021 0.798 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.465 13.048 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.488 11.550 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.063 12.125 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.452 13.572 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.807 13.129 -2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.673 10.088 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.340 10.978 -2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.043 10.043 -0.815 1.00 0.00 H new ATOM 517 N GLY A 36 -6.212 13.809 1.893 1.00 0.00 N ATOM 518 CA GLY A 36 -6.481 14.921 2.789 1.00 0.00 C ATOM 519 C GLY A 36 -5.187 15.451 3.409 1.00 0.00 C ATOM 520 O GLY A 36 -5.211 16.067 4.473 1.00 0.00 O ATOM 0 H GLY A 36 -6.094 12.908 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.981 15.721 2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.162 14.601 3.578 1.00 0.00 H new ATOM 524 N PHE A 37 -4.087 15.192 2.716 1.00 0.00 N ATOM 525 CA PHE A 37 -2.785 15.635 3.185 1.00 0.00 C ATOM 526 C PHE A 37 -2.617 17.143 2.990 1.00 0.00 C ATOM 527 O PHE A 37 -3.229 17.729 2.099 1.00 0.00 O ATOM 528 CB PHE A 37 -1.735 14.904 2.347 1.00 0.00 C ATOM 529 CG PHE A 37 -0.292 15.265 2.704 1.00 0.00 C ATOM 530 CD1 PHE A 37 0.058 15.461 4.004 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.641 15.390 1.722 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.398 15.796 4.335 1.00 0.00 C ATOM 533 CE2 PHE A 37 1.980 15.725 2.054 1.00 0.00 C ATOM 534 CZ PHE A 37 2.330 15.921 3.353 1.00 0.00 C ATOM 0 H PHE A 37 -4.071 14.681 1.833 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.679 15.419 4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.871 13.829 2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.905 15.128 1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.683 15.362 4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.363 15.234 0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.677 15.951 5.367 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.721 15.824 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.349 16.176 3.605 1.00 0.00 H new ATOM 544 N SER A 38 -1.784 17.728 3.838 1.00 0.00 N ATOM 545 CA SER A 38 -1.527 19.156 3.770 1.00 0.00 C ATOM 546 C SER A 38 -0.147 19.468 4.353 1.00 0.00 C ATOM 547 O SER A 38 -0.027 19.795 5.533 1.00 0.00 O ATOM 548 CB SER A 38 -2.607 19.946 4.512 1.00 0.00 C ATOM 549 OG SER A 38 -3.629 20.408 3.633 1.00 0.00 O ATOM 0 H SER A 38 -1.278 17.238 4.576 1.00 0.00 H new ATOM 0 HA SER A 38 -1.549 19.458 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.050 19.317 5.284 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.151 20.797 5.017 1.00 0.00 H new ATOM 0 HG SER A 38 -3.788 19.738 2.936 1.00 0.00 H new ATOM 555 N GLY A 39 0.860 19.356 3.499 1.00 0.00 N ATOM 556 CA GLY A 39 2.227 19.621 3.915 1.00 0.00 C ATOM 557 C GLY A 39 3.211 19.336 2.778 1.00 0.00 C ATOM 558 O GLY A 39 2.953 18.486 1.928 1.00 0.00 O ATOM 0 H GLY A 39 0.757 19.085 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.320 20.660 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.474 19.003 4.778 1.00 0.00 H new ATOM 562 N LEU A 40 4.318 20.064 2.801 1.00 0.00 N ATOM 563 CA LEU A 40 5.342 19.900 1.783 1.00 0.00 C ATOM 564 C LEU A 40 5.723 18.421 1.682 1.00 0.00 C ATOM 565 O LEU A 40 5.243 17.599 2.461 1.00 0.00 O ATOM 566 CB LEU A 40 6.529 20.823 2.063 1.00 0.00 C ATOM 567 CG LEU A 40 6.600 22.099 1.222 1.00 0.00 C ATOM 568 CD1 LEU A 40 7.517 23.136 1.875 1.00 0.00 C ATOM 569 CD2 LEU A 40 7.020 21.786 -0.215 1.00 0.00 C ATOM 0 H LEU A 40 4.528 20.768 3.508 1.00 0.00 H new ATOM 0 HA LEU A 40 4.960 20.198 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.503 21.106 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.448 20.258 1.908 1.00 0.00 H new ATOM 0 HG LEU A 40 5.602 22.535 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.550 24.033 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.133 23.390 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.522 22.724 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.063 22.710 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.003 21.314 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.294 21.110 -0.667 1.00 0.00 H new ATOM 581 N SER A 41 6.582 18.129 0.717 1.00 0.00 N ATOM 582 CA SER A 41 7.033 16.764 0.504 1.00 0.00 C ATOM 583 C SER A 41 7.845 16.288 1.710 1.00 0.00 C ATOM 584 O SER A 41 8.052 15.088 1.889 1.00 0.00 O ATOM 585 CB SER A 41 7.866 16.652 -0.774 1.00 0.00 C ATOM 586 OG SER A 41 9.260 16.794 -0.517 1.00 0.00 O ATOM 0 H SER A 41 6.978 18.814 0.074 1.00 0.00 H new ATOM 0 HA SER A 41 6.155 16.128 0.390 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.681 15.686 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.548 17.417 -1.482 1.00 0.00 H new ATOM 0 HG SER A 41 9.757 16.715 -1.358 1.00 0.00 H new ATOM 652 N TYR A 46 4.351 14.081 6.562 1.00 0.00 N ATOM 653 CA TYR A 46 4.628 13.357 5.334 1.00 0.00 C ATOM 654 C TYR A 46 5.434 12.087 5.615 1.00 0.00 C ATOM 655 O TYR A 46 5.138 11.026 5.069 1.00 0.00 O ATOM 656 CB TYR A 46 5.468 14.299 4.469 1.00 0.00 C ATOM 657 CG TYR A 46 5.754 13.764 3.064 1.00 0.00 C ATOM 658 CD1 TYR A 46 6.646 12.724 2.890 1.00 0.00 C ATOM 659 CD2 TYR A 46 5.122 14.321 1.971 1.00 0.00 C ATOM 660 CE1 TYR A 46 6.915 12.221 1.568 1.00 0.00 C ATOM 661 CE2 TYR A 46 5.391 13.817 0.649 1.00 0.00 C ATOM 662 CZ TYR A 46 6.275 12.792 0.513 1.00 0.00 C ATOM 663 OH TYR A 46 6.529 12.317 -0.736 1.00 0.00 O ATOM 0 HA TYR A 46 3.699 13.059 4.847 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.952 15.255 4.384 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.415 14.491 4.973 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.141 12.288 3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.425 15.135 2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.610 11.408 1.418 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.902 14.243 -0.215 1.00 0.00 H new ATOM 0 HH TYR A 46 6.144 11.421 -0.830 1.00 0.00 H new ATOM 673 N LYS A 47 6.437 12.239 6.468 1.00 0.00 N ATOM 674 CA LYS A 47 7.288 11.117 6.829 1.00 0.00 C ATOM 675 C LYS A 47 6.415 9.901 7.145 1.00 0.00 C ATOM 676 O LYS A 47 6.498 8.880 6.464 1.00 0.00 O ATOM 677 CB LYS A 47 8.234 11.508 7.966 1.00 0.00 C ATOM 678 CG LYS A 47 9.606 11.914 7.423 1.00 0.00 C ATOM 679 CD LYS A 47 9.560 13.315 6.811 1.00 0.00 C ATOM 680 CE LYS A 47 9.735 14.389 7.887 1.00 0.00 C ATOM 681 NZ LYS A 47 11.170 14.599 8.181 1.00 0.00 N ATOM 0 H LYS A 47 6.679 13.121 6.919 1.00 0.00 H new ATOM 0 HA LYS A 47 7.929 10.840 5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.805 12.334 8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.345 10.671 8.656 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.342 11.888 8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.931 11.195 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.345 13.414 6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.609 13.461 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.286 15.324 7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.211 14.091 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.271 15.331 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.589 13.710 8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.660 14.904 7.316 1.00 0.00 H new ATOM 695 N ARG A 48 5.598 10.051 8.177 1.00 0.00 N ATOM 696 CA ARG A 48 4.711 8.978 8.592 1.00 0.00 C ATOM 697 C ARG A 48 4.142 8.257 7.368 1.00 0.00 C ATOM 698 O ARG A 48 4.563 7.147 7.045 1.00 0.00 O ATOM 699 CB ARG A 48 3.557 9.514 9.441 1.00 0.00 C ATOM 700 CG ARG A 48 3.560 8.879 10.833 1.00 0.00 C ATOM 701 CD ARG A 48 2.850 9.778 11.848 1.00 0.00 C ATOM 702 NE ARG A 48 3.442 9.591 13.191 1.00 0.00 N ATOM 703 CZ ARG A 48 2.870 10.009 14.329 1.00 0.00 C ATOM 704 NH1 ARG A 48 1.689 10.641 14.292 1.00 0.00 N ATOM 705 NH2 ARG A 48 3.479 9.795 15.503 1.00 0.00 N ATOM 0 H ARG A 48 5.532 10.900 8.738 1.00 0.00 H new ATOM 0 HA ARG A 48 5.294 8.279 9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.640 10.597 9.531 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.609 9.307 8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.067 7.908 10.795 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.587 8.703 11.154 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.937 10.822 11.545 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.786 9.541 11.874 1.00 0.00 H new ATOM 0 HE ARG A 48 4.341 9.114 13.255 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.226 10.804 13.398 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.253 10.959 15.158 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.378 9.314 15.531 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.044 10.113 16.369 1.00 0.00 H new ATOM 719 N LEU A 49 3.194 8.918 6.720 1.00 0.00 N ATOM 720 CA LEU A 49 2.563 8.354 5.538 1.00 0.00 C ATOM 721 C LEU A 49 3.619 7.642 4.692 1.00 0.00 C ATOM 722 O LEU A 49 3.568 6.424 4.524 1.00 0.00 O ATOM 723 CB LEU A 49 1.790 9.433 4.777 1.00 0.00 C ATOM 724 CG LEU A 49 0.381 9.736 5.289 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.431 10.572 6.570 1.00 0.00 C ATOM 726 CD2 LEU A 49 -0.466 10.403 4.203 1.00 0.00 C ATOM 0 H LEU A 49 2.847 9.838 6.991 1.00 0.00 H new ATOM 0 HA LEU A 49 1.824 7.605 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.371 10.355 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.718 9.132 3.732 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.102 8.791 5.539 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.584 10.773 6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.973 10.024 7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.940 11.515 6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.463 10.608 4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.004 11.338 3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.543 9.739 3.342 1.00 0.00 H new ATOM 738 N GLU A 50 4.553 8.431 4.181 1.00 0.00 N ATOM 739 CA GLU A 50 5.620 7.891 3.356 1.00 0.00 C ATOM 740 C GLU A 50 6.199 6.628 3.997 1.00 0.00 C ATOM 741 O GLU A 50 6.030 5.528 3.472 1.00 0.00 O ATOM 742 CB GLU A 50 6.713 8.935 3.120 1.00 0.00 C ATOM 743 CG GLU A 50 7.970 8.291 2.532 1.00 0.00 C ATOM 744 CD GLU A 50 8.764 9.298 1.698 1.00 0.00 C ATOM 745 OE1 GLU A 50 9.316 10.235 2.314 1.00 0.00 O ATOM 746 OE2 GLU A 50 8.800 9.109 0.463 1.00 0.00 O ATOM 0 H GLU A 50 4.593 9.440 4.323 1.00 0.00 H new ATOM 0 HA GLU A 50 5.202 7.624 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.344 9.706 2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.959 9.428 4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.596 7.906 3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.690 7.440 1.911 1.00 0.00 H new ATOM 753 N ARG A 51 6.870 6.827 5.122 1.00 0.00 N ATOM 754 CA ARG A 51 7.474 5.718 5.840 1.00 0.00 C ATOM 755 C ARG A 51 6.499 4.541 5.918 1.00 0.00 C ATOM 756 O ARG A 51 6.873 3.401 5.648 1.00 0.00 O ATOM 757 CB ARG A 51 7.876 6.132 7.257 1.00 0.00 C ATOM 758 CG ARG A 51 9.062 7.099 7.230 1.00 0.00 C ATOM 759 CD ARG A 51 10.389 6.339 7.223 1.00 0.00 C ATOM 760 NE ARG A 51 11.506 7.273 6.955 1.00 0.00 N ATOM 761 CZ ARG A 51 12.801 6.938 7.036 1.00 0.00 C ATOM 762 NH1 ARG A 51 13.151 5.690 7.377 1.00 0.00 N ATOM 763 NH2 ARG A 51 13.746 7.851 6.775 1.00 0.00 N ATOM 0 H ARG A 51 7.009 7.741 5.554 1.00 0.00 H new ATOM 0 HA ARG A 51 8.368 5.418 5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.029 6.603 7.756 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.137 5.247 7.838 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.998 7.734 6.346 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.020 7.756 8.099 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.540 5.845 8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.366 5.558 6.463 1.00 0.00 H new ATOM 0 HE ARG A 51 11.275 8.231 6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.432 4.995 7.575 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.137 5.436 7.438 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.480 8.801 6.515 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.732 7.597 6.837 1.00 0.00 H new ATOM 777 N ILE A 52 5.267 4.859 6.288 1.00 0.00 N ATOM 778 CA ILE A 52 4.235 3.842 6.404 1.00 0.00 C ATOM 779 C ILE A 52 4.121 3.084 5.080 1.00 0.00 C ATOM 780 O ILE A 52 4.090 1.854 5.066 1.00 0.00 O ATOM 781 CB ILE A 52 2.919 4.466 6.871 1.00 0.00 C ATOM 782 CG1 ILE A 52 3.057 5.050 8.278 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.771 3.458 6.779 1.00 0.00 C ATOM 784 CD1 ILE A 52 2.032 6.161 8.515 1.00 0.00 C ATOM 0 H ILE A 52 4.960 5.806 6.511 1.00 0.00 H new ATOM 0 HA ILE A 52 4.503 3.112 7.167 1.00 0.00 H new ATOM 0 HB ILE A 52 2.677 5.292 6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.921 4.261 9.018 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.064 5.444 8.414 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.847 3.927 7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.655 3.132 5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.992 2.596 7.409 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.153 6.558 9.523 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.187 6.959 7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.026 5.758 8.402 1.00 0.00 H new ATOM 796 N LEU A 53 4.062 3.849 4.000 1.00 0.00 N ATOM 797 CA LEU A 53 3.951 3.264 2.674 1.00 0.00 C ATOM 798 C LEU A 53 5.231 2.487 2.356 1.00 0.00 C ATOM 799 O LEU A 53 5.172 1.369 1.846 1.00 0.00 O ATOM 800 CB LEU A 53 3.612 4.340 1.641 1.00 0.00 C ATOM 801 CG LEU A 53 2.192 4.906 1.704 1.00 0.00 C ATOM 802 CD1 LEU A 53 2.143 6.327 1.138 1.00 0.00 C ATOM 803 CD2 LEU A 53 1.200 3.976 1.003 1.00 0.00 C ATOM 0 H LEU A 53 4.089 4.869 4.016 1.00 0.00 H new ATOM 0 HA LEU A 53 3.127 2.551 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.316 5.164 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.772 3.924 0.646 1.00 0.00 H new ATOM 0 HG LEU A 53 1.894 4.965 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.123 6.706 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.803 6.973 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.469 6.316 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.198 4.401 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.485 3.862 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.209 3.001 1.490 1.00 0.00 H new ATOM 815 N THR A 54 6.357 3.110 2.671 1.00 0.00 N ATOM 816 CA THR A 54 7.648 2.491 2.425 1.00 0.00 C ATOM 817 C THR A 54 7.795 1.215 3.255 1.00 0.00 C ATOM 818 O THR A 54 8.413 0.249 2.811 1.00 0.00 O ATOM 819 CB THR A 54 8.733 3.531 2.713 1.00 0.00 C ATOM 820 OG1 THR A 54 9.688 3.333 1.673 1.00 0.00 O ATOM 821 CG2 THR A 54 9.510 3.227 3.995 1.00 0.00 C ATOM 0 H THR A 54 6.402 4.037 3.094 1.00 0.00 H new ATOM 0 HA THR A 54 7.744 2.178 1.385 1.00 0.00 H new ATOM 0 HB THR A 54 8.278 4.518 2.790 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.426 3.968 1.782 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.267 3.995 4.152 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.824 3.215 4.842 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.993 2.254 3.905 1.00 0.00 H new ATOM 829 N LYS A 55 7.215 1.252 4.446 1.00 0.00 N ATOM 830 CA LYS A 55 7.273 0.109 5.342 1.00 0.00 C ATOM 831 C LYS A 55 6.321 -0.977 4.839 1.00 0.00 C ATOM 832 O LYS A 55 6.730 -2.118 4.629 1.00 0.00 O ATOM 833 CB LYS A 55 7.002 0.545 6.783 1.00 0.00 C ATOM 834 CG LYS A 55 8.288 0.528 7.612 1.00 0.00 C ATOM 835 CD LYS A 55 8.906 1.925 7.695 1.00 0.00 C ATOM 836 CE LYS A 55 10.374 1.851 8.119 1.00 0.00 C ATOM 837 NZ LYS A 55 11.009 3.184 8.021 1.00 0.00 N ATOM 0 H LYS A 55 6.703 2.055 4.811 1.00 0.00 H new ATOM 0 HA LYS A 55 8.274 -0.322 5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.574 1.548 6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.265 -0.119 7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.073 0.162 8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.003 -0.164 7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.828 2.419 6.727 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.348 2.532 8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.445 1.482 9.142 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.906 1.141 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.035 3.091 8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.825 3.588 7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.614 3.811 8.750 1.00 0.00 H new ATOM 851 N GLN A 56 5.068 -0.585 4.660 1.00 0.00 N ATOM 852 CA GLN A 56 4.054 -1.511 4.185 1.00 0.00 C ATOM 853 C GLN A 56 4.440 -2.062 2.811 1.00 0.00 C ATOM 854 O GLN A 56 4.322 -3.262 2.564 1.00 0.00 O ATOM 855 CB GLN A 56 2.678 -0.843 4.141 1.00 0.00 C ATOM 856 CG GLN A 56 2.192 -0.496 5.550 1.00 0.00 C ATOM 857 CD GLN A 56 2.221 -1.727 6.459 1.00 0.00 C ATOM 858 OE1 GLN A 56 3.216 -2.039 7.092 1.00 0.00 O ATOM 859 NE2 GLN A 56 1.078 -2.406 6.487 1.00 0.00 N ATOM 0 H GLN A 56 4.732 0.362 4.836 1.00 0.00 H new ATOM 0 HA GLN A 56 3.995 -2.344 4.885 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.729 0.063 3.536 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.962 -1.508 3.659 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.821 0.288 5.973 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.178 -0.099 5.501 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.283 -2.089 5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.996 -3.244 7.063 1.00 0.00 H new ATOM 868 N LEU A 57 4.894 -1.160 1.954 1.00 0.00 N ATOM 869 CA LEU A 57 5.298 -1.541 0.611 1.00 0.00 C ATOM 870 C LEU A 57 6.334 -2.664 0.694 1.00 0.00 C ATOM 871 O LEU A 57 6.139 -3.737 0.123 1.00 0.00 O ATOM 872 CB LEU A 57 5.780 -0.317 -0.171 1.00 0.00 C ATOM 873 CG LEU A 57 6.475 -0.604 -1.503 1.00 0.00 C ATOM 874 CD1 LEU A 57 7.917 -1.066 -1.281 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.674 -1.607 -2.336 1.00 0.00 C ATOM 0 H LEU A 57 4.991 -0.166 2.163 1.00 0.00 H new ATOM 0 HA LEU A 57 4.447 -1.932 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.922 0.328 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.467 0.246 0.461 1.00 0.00 H new ATOM 0 HG LEU A 57 6.518 0.325 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.388 -1.263 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.472 -0.287 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.919 -1.977 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.191 -1.793 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.577 -2.542 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.683 -1.201 -2.540 1.00 0.00 H new ATOM 887 N PHE A 58 7.412 -2.380 1.409 1.00 0.00 N ATOM 888 CA PHE A 58 8.479 -3.353 1.574 1.00 0.00 C ATOM 889 C PHE A 58 7.917 -4.721 1.968 1.00 0.00 C ATOM 890 O PHE A 58 8.521 -5.752 1.676 1.00 0.00 O ATOM 891 CB PHE A 58 9.380 -2.842 2.700 1.00 0.00 C ATOM 892 CG PHE A 58 10.818 -3.362 2.630 1.00 0.00 C ATOM 893 CD1 PHE A 58 11.758 -2.669 1.934 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.155 -4.517 3.264 1.00 0.00 C ATOM 895 CE1 PHE A 58 13.092 -3.151 1.869 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.489 -4.999 3.200 1.00 0.00 C ATOM 897 CZ PHE A 58 13.429 -4.305 2.504 1.00 0.00 C ATOM 0 H PHE A 58 7.570 -1.490 1.881 1.00 0.00 H new ATOM 0 HA PHE A 58 9.024 -3.470 0.638 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.397 -1.752 2.672 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.946 -3.130 3.658 1.00 0.00 H new ATOM 0 HD1 PHE A 58 11.490 -1.752 1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.408 -5.068 3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 58 13.839 -2.601 1.315 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.757 -5.916 3.704 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.444 -4.671 2.456 1.00 0.00 H new ATOM 907 N GLU A 59 6.767 -4.686 2.624 1.00 0.00 N ATOM 908 CA GLU A 59 6.117 -5.910 3.061 1.00 0.00 C ATOM 909 C GLU A 59 5.382 -6.567 1.891 1.00 0.00 C ATOM 910 O GLU A 59 5.259 -7.790 1.839 1.00 0.00 O ATOM 911 CB GLU A 59 5.161 -5.638 4.225 1.00 0.00 C ATOM 912 CG GLU A 59 5.842 -5.911 5.568 1.00 0.00 C ATOM 913 CD GLU A 59 5.692 -7.380 5.969 1.00 0.00 C ATOM 914 OE1 GLU A 59 5.851 -8.233 5.069 1.00 0.00 O ATOM 915 OE2 GLU A 59 5.423 -7.617 7.167 1.00 0.00 O ATOM 0 H GLU A 59 6.268 -3.829 2.864 1.00 0.00 H new ATOM 0 HA GLU A 59 6.884 -6.598 3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.823 -4.602 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.276 -6.266 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.899 -5.654 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.406 -5.274 6.337 1.00 0.00 H new ATOM 922 N ILE A 60 4.913 -5.726 0.980 1.00 0.00 N ATOM 923 CA ILE A 60 4.194 -6.210 -0.186 1.00 0.00 C ATOM 924 C ILE A 60 5.128 -7.077 -1.032 1.00 0.00 C ATOM 925 O ILE A 60 4.736 -8.145 -1.500 1.00 0.00 O ATOM 926 CB ILE A 60 3.573 -5.043 -0.955 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.639 -4.229 -0.057 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.868 -5.534 -2.221 1.00 0.00 C ATOM 929 CD1 ILE A 60 2.018 -3.062 -0.827 1.00 0.00 C ATOM 0 H ILE A 60 5.017 -4.712 1.026 1.00 0.00 H new ATOM 0 HA ILE A 60 3.359 -6.842 0.116 1.00 0.00 H new ATOM 0 HB ILE A 60 4.376 -4.377 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.851 -4.873 0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.193 -3.849 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.435 -4.684 -2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.589 -6.035 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.077 -6.233 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.359 -2.500 -0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.808 -2.407 -1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.444 -3.447 -1.670 1.00 0.00 H new ATOM 941 N ASP A 61 6.347 -6.586 -1.202 1.00 0.00 N ATOM 942 CA ASP A 61 7.340 -7.302 -1.984 1.00 0.00 C ATOM 943 C ASP A 61 7.797 -8.540 -1.210 1.00 0.00 C ATOM 944 O ASP A 61 8.279 -9.504 -1.802 1.00 0.00 O ATOM 945 CB ASP A 61 8.569 -6.429 -2.247 1.00 0.00 C ATOM 946 CG ASP A 61 9.429 -6.864 -3.435 1.00 0.00 C ATOM 947 OD1 ASP A 61 8.828 -7.285 -4.447 1.00 0.00 O ATOM 948 OD2 ASP A 61 10.669 -6.765 -3.304 1.00 0.00 O ATOM 0 H ASP A 61 6.669 -5.701 -0.811 1.00 0.00 H new ATOM 0 HA ASP A 61 6.884 -7.579 -2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.239 -5.404 -2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.190 -6.423 -1.351 1.00 0.00 H new ATOM 953 N SER A 62 7.628 -8.473 0.103 1.00 0.00 N ATOM 954 CA SER A 62 8.017 -9.577 0.964 1.00 0.00 C ATOM 955 C SER A 62 6.975 -10.694 0.885 1.00 0.00 C ATOM 956 O SER A 62 7.309 -11.870 1.020 1.00 0.00 O ATOM 957 CB SER A 62 8.188 -9.111 2.412 1.00 0.00 C ATOM 958 OG SER A 62 8.897 -10.064 3.198 1.00 0.00 O ATOM 0 H SER A 62 7.227 -7.672 0.591 1.00 0.00 H new ATOM 0 HA SER A 62 8.977 -9.960 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.721 -8.160 2.427 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.208 -8.934 2.854 1.00 0.00 H new ATOM 0 HG SER A 62 8.987 -9.730 4.115 1.00 0.00 H new ATOM 964 N VAL A 63 5.733 -10.287 0.668 1.00 0.00 N ATOM 965 CA VAL A 63 4.640 -11.240 0.570 1.00 0.00 C ATOM 966 C VAL A 63 4.860 -12.138 -0.649 1.00 0.00 C ATOM 967 O VAL A 63 4.768 -11.680 -1.787 1.00 0.00 O ATOM 968 CB VAL A 63 3.302 -10.499 0.533 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.212 -11.365 -0.103 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.890 -10.040 1.933 1.00 0.00 C ATOM 0 H VAL A 63 5.459 -9.311 0.557 1.00 0.00 H new ATOM 0 HA VAL A 63 4.615 -11.885 1.448 1.00 0.00 H new ATOM 0 HB VAL A 63 3.429 -9.611 -0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.271 -10.814 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.499 -11.619 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.089 -12.279 0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.936 -9.516 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.791 -10.907 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.650 -9.369 2.334 1.00 0.00 H new ATOM 980 N ASP A 64 5.146 -13.401 -0.369 1.00 0.00 N ATOM 981 CA ASP A 64 5.380 -14.367 -1.429 1.00 0.00 C ATOM 982 C ASP A 64 4.044 -14.746 -2.072 1.00 0.00 C ATOM 983 O ASP A 64 3.005 -14.723 -1.413 1.00 0.00 O ATOM 984 CB ASP A 64 6.018 -15.644 -0.879 1.00 0.00 C ATOM 985 CG ASP A 64 6.707 -16.525 -1.923 1.00 0.00 C ATOM 986 OD1 ASP A 64 7.540 -15.970 -2.672 1.00 0.00 O ATOM 987 OD2 ASP A 64 6.386 -17.732 -1.949 1.00 0.00 O ATOM 0 H ASP A 64 5.221 -13.778 0.576 1.00 0.00 H new ATOM 0 HA ASP A 64 6.052 -13.912 -2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.749 -15.368 -0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.247 -16.232 -0.381 1.00 0.00 H new ATOM 992 N THR A 65 4.114 -15.086 -3.350 1.00 0.00 N ATOM 993 CA THR A 65 2.923 -15.469 -4.090 1.00 0.00 C ATOM 994 C THR A 65 3.016 -16.932 -4.530 1.00 0.00 C ATOM 995 O THR A 65 2.019 -17.652 -4.516 1.00 0.00 O ATOM 996 CB THR A 65 2.756 -14.493 -5.256 1.00 0.00 C ATOM 997 OG1 THR A 65 3.805 -14.844 -6.155 1.00 0.00 O ATOM 998 CG2 THR A 65 3.071 -13.049 -4.860 1.00 0.00 C ATOM 0 H THR A 65 4.977 -15.104 -3.893 1.00 0.00 H new ATOM 0 HA THR A 65 2.032 -15.406 -3.465 1.00 0.00 H new ATOM 0 HB THR A 65 1.736 -14.551 -5.635 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.872 -14.167 -6.860 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.937 -12.397 -5.723 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.399 -12.736 -4.061 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.102 -12.984 -4.513 1.00 0.00 H new ATOM 1006 N GLU A 66 4.223 -17.327 -4.909 1.00 0.00 N ATOM 1007 CA GLU A 66 4.459 -18.690 -5.352 1.00 0.00 C ATOM 1008 C GLU A 66 3.614 -19.000 -6.590 1.00 0.00 C ATOM 1009 O GLU A 66 3.038 -20.081 -6.698 1.00 0.00 O ATOM 1010 CB GLU A 66 4.173 -19.689 -4.229 1.00 0.00 C ATOM 1011 CG GLU A 66 5.314 -20.699 -4.090 1.00 0.00 C ATOM 1012 CD GLU A 66 4.790 -22.057 -3.619 1.00 0.00 C ATOM 1013 OE1 GLU A 66 3.687 -22.429 -4.076 1.00 0.00 O ATOM 1014 OE2 GLU A 66 5.503 -22.692 -2.813 1.00 0.00 O ATOM 0 H GLU A 66 5.048 -16.727 -4.918 1.00 0.00 H new ATOM 0 HA GLU A 66 5.511 -18.787 -5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.038 -19.155 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.240 -20.215 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.822 -20.813 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.052 -20.324 -3.381 1.00 0.00 H new ATOM 1021 N GLY A 67 3.567 -18.031 -7.493 1.00 0.00 N ATOM 1022 CA GLY A 67 2.803 -18.186 -8.718 1.00 0.00 C ATOM 1023 C GLY A 67 1.475 -18.899 -8.450 1.00 0.00 C ATOM 1024 O GLY A 67 1.261 -20.016 -8.917 1.00 0.00 O ATOM 0 H GLY A 67 4.046 -17.135 -7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.612 -17.207 -9.158 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.385 -18.754 -9.444 1.00 0.00 H new ATOM 1028 N LYS A 68 0.619 -18.222 -7.698 1.00 0.00 N ATOM 1029 CA LYS A 68 -0.681 -18.776 -7.362 1.00 0.00 C ATOM 1030 C LYS A 68 -1.775 -17.946 -8.037 1.00 0.00 C ATOM 1031 O LYS A 68 -2.787 -18.488 -8.479 1.00 0.00 O ATOM 1032 CB LYS A 68 -0.841 -18.885 -5.844 1.00 0.00 C ATOM 1033 CG LYS A 68 0.104 -19.941 -5.267 1.00 0.00 C ATOM 1034 CD LYS A 68 -0.243 -20.250 -3.809 1.00 0.00 C ATOM 1035 CE LYS A 68 0.669 -21.343 -3.249 1.00 0.00 C ATOM 1036 NZ LYS A 68 -0.080 -22.608 -3.084 1.00 0.00 N ATOM 0 H LYS A 68 0.801 -17.295 -7.312 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.771 -19.793 -7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.637 -17.919 -5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.872 -19.143 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.042 -20.853 -5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.133 -19.588 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.144 -19.346 -3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.283 -20.568 -3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.514 -21.499 -3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.078 -21.027 -2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.554 -23.339 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.872 -22.459 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.449 -22.916 -4.006 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.534 -16.645 -8.097 1.00 0.00 N ATOM 1051 CA GLY A 69 -2.485 -15.735 -8.711 1.00 0.00 C ATOM 1052 C GLY A 69 -3.338 -15.035 -7.651 1.00 0.00 C ATOM 1053 O GLY A 69 -3.302 -13.812 -7.528 1.00 0.00 O ATOM 0 H GLY A 69 -0.693 -16.199 -7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.952 -14.991 -9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.130 -16.285 -9.396 1.00 0.00 H new ATOM 1057 N ASP A 70 -4.085 -15.842 -6.911 1.00 0.00 N ATOM 1058 CA ASP A 70 -4.945 -15.316 -5.865 1.00 0.00 C ATOM 1059 C ASP A 70 -4.213 -14.194 -5.125 1.00 0.00 C ATOM 1060 O ASP A 70 -4.761 -13.109 -4.938 1.00 0.00 O ATOM 1061 CB ASP A 70 -5.301 -16.400 -4.847 1.00 0.00 C ATOM 1062 CG ASP A 70 -5.749 -17.733 -5.451 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -6.098 -17.723 -6.651 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -5.732 -18.731 -4.699 1.00 0.00 O ATOM 0 H ASP A 70 -4.112 -16.856 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.858 -14.948 -6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.434 -16.579 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.096 -16.025 -4.203 1.00 0.00 H new ATOM 1069 N ILE A 71 -2.987 -14.495 -4.724 1.00 0.00 N ATOM 1070 CA ILE A 71 -2.175 -13.526 -4.008 1.00 0.00 C ATOM 1071 C ILE A 71 -1.537 -12.562 -5.011 1.00 0.00 C ATOM 1072 O ILE A 71 -1.680 -11.346 -4.886 1.00 0.00 O ATOM 1073 CB ILE A 71 -1.161 -14.236 -3.109 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.857 -15.232 -2.179 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -0.313 -13.225 -2.334 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -0.857 -16.240 -1.608 1.00 0.00 C ATOM 0 H ILE A 71 -2.536 -15.396 -4.881 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.796 -12.929 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.482 -14.807 -3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.343 -14.696 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.639 -15.760 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.400 -13.756 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.227 -12.589 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.961 -12.609 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.377 -16.936 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.390 -16.792 -2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.090 -15.711 -1.042 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.848 -13.140 -5.984 1.00 0.00 N ATOM 1089 CA GLN A 72 -0.189 -12.347 -7.007 1.00 0.00 C ATOM 1090 C GLN A 72 -1.086 -11.185 -7.439 1.00 0.00 C ATOM 1091 O GLN A 72 -0.607 -10.074 -7.657 1.00 0.00 O ATOM 1092 CB GLN A 72 0.201 -13.214 -8.206 1.00 0.00 C ATOM 1093 CG GLN A 72 1.693 -13.082 -8.517 1.00 0.00 C ATOM 1094 CD GLN A 72 1.916 -12.671 -9.973 1.00 0.00 C ATOM 1095 OE1 GLN A 72 1.693 -13.431 -10.901 1.00 0.00 O ATOM 1096 NE2 GLN A 72 2.367 -11.428 -10.122 1.00 0.00 N ATOM 0 H GLN A 72 -0.732 -14.148 -6.085 1.00 0.00 H new ATOM 0 HA GLN A 72 0.727 -11.935 -6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.040 -14.257 -7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.383 -12.919 -9.078 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.142 -12.343 -7.854 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.194 -14.030 -8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.533 -10.844 -9.302 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.547 -11.059 -11.056 1.00 0.00 H new ATOM 1105 N GLN A 73 -2.372 -11.483 -7.550 1.00 0.00 N ATOM 1106 CA GLN A 73 -3.341 -10.477 -7.952 1.00 0.00 C ATOM 1107 C GLN A 73 -3.459 -9.395 -6.877 1.00 0.00 C ATOM 1108 O GLN A 73 -3.375 -8.205 -7.177 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.702 -11.112 -8.243 1.00 0.00 C ATOM 1110 CG GLN A 73 -5.028 -11.049 -9.737 1.00 0.00 C ATOM 1111 CD GLN A 73 -5.575 -12.388 -10.236 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -6.353 -13.055 -9.575 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -5.124 -12.743 -11.436 1.00 0.00 N ATOM 0 H GLN A 73 -2.766 -12.406 -7.369 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.991 -10.010 -8.873 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.702 -12.150 -7.911 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.477 -10.596 -7.676 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.760 -10.262 -9.920 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.131 -10.787 -10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.473 -12.137 -11.936 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.429 -13.621 -11.856 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.653 -9.847 -5.647 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.784 -8.932 -4.526 1.00 0.00 C ATOM 1124 C ALA A 74 -2.462 -8.190 -4.321 1.00 0.00 C ATOM 1125 O ALA A 74 -2.399 -6.971 -4.477 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.215 -9.709 -3.280 1.00 0.00 C ATOM 0 H ALA A 74 -3.723 -10.835 -5.402 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.553 -8.186 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.313 -9.023 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.173 -10.194 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.466 -10.465 -3.045 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.437 -8.956 -3.975 1.00 0.00 N ATOM 1133 CA ARG A 75 -0.120 -8.387 -3.748 1.00 0.00 C ATOM 1134 C ARG A 75 0.156 -7.268 -4.755 1.00 0.00 C ATOM 1135 O ARG A 75 0.295 -6.106 -4.375 1.00 0.00 O ATOM 1136 CB ARG A 75 0.970 -9.454 -3.870 1.00 0.00 C ATOM 1137 CG ARG A 75 2.242 -9.024 -3.138 1.00 0.00 C ATOM 1138 CD ARG A 75 3.491 -9.506 -3.879 1.00 0.00 C ATOM 1139 NE ARG A 75 4.361 -8.355 -4.207 1.00 0.00 N ATOM 1140 CZ ARG A 75 4.224 -7.599 -5.305 1.00 0.00 C ATOM 1141 NH1 ARG A 75 3.252 -7.867 -6.187 1.00 0.00 N ATOM 1142 NH2 ARG A 75 5.060 -6.574 -5.521 1.00 0.00 N ATOM 0 H ARG A 75 -1.493 -9.966 -3.846 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.104 -7.982 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.609 -10.396 -3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.194 -9.632 -4.922 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.265 -7.938 -3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.237 -9.428 -2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.036 -10.221 -3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.204 -10.027 -4.792 1.00 0.00 H new ATOM 0 HE ARG A 75 5.112 -8.122 -3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.615 -8.647 -6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.148 -7.291 -7.022 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.800 -6.370 -4.850 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.956 -5.998 -6.357 1.00 0.00 H new ATOM 1156 N LYS A 76 0.226 -7.658 -6.019 1.00 0.00 N ATOM 1157 CA LYS A 76 0.483 -6.702 -7.083 1.00 0.00 C ATOM 1158 C LYS A 76 -0.528 -5.558 -6.990 1.00 0.00 C ATOM 1159 O LYS A 76 -0.173 -4.395 -7.179 1.00 0.00 O ATOM 1160 CB LYS A 76 0.493 -7.404 -8.443 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.914 -7.461 -9.041 1.00 0.00 C ATOM 1162 CD LYS A 76 -0.884 -8.036 -10.459 1.00 0.00 C ATOM 1163 CE LYS A 76 -2.252 -7.907 -11.131 1.00 0.00 C ATOM 1164 NZ LYS A 76 -2.095 -7.608 -12.572 1.00 0.00 N ATOM 0 H LYS A 76 0.109 -8.622 -6.330 1.00 0.00 H new ATOM 0 HA LYS A 76 1.474 -6.263 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.160 -6.876 -9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.886 -8.415 -8.332 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.557 -8.074 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.346 -6.460 -9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.133 -7.514 -11.051 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.589 -9.085 -10.424 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.815 -8.832 -11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.827 -7.116 -10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.033 -7.524 -13.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.577 -6.714 -12.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.565 -8.376 -13.030 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.766 -5.927 -6.699 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.831 -4.945 -6.578 1.00 0.00 C ATOM 1180 C ARG A 77 -2.581 -4.036 -5.373 1.00 0.00 C ATOM 1181 O ARG A 77 -3.152 -2.951 -5.280 1.00 0.00 O ATOM 1182 CB ARG A 77 -4.192 -5.626 -6.421 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.836 -5.885 -7.785 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.538 -4.631 -8.307 1.00 0.00 C ATOM 1185 NE ARG A 77 -5.057 -4.311 -9.670 1.00 0.00 N ATOM 1186 CZ ARG A 77 -5.539 -3.312 -10.422 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -6.518 -2.529 -9.948 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -5.042 -3.096 -11.647 1.00 0.00 N ATOM 0 H ARG A 77 -2.056 -6.892 -6.543 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.838 -4.349 -7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.072 -6.568 -5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.849 -4.999 -5.818 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.074 -6.202 -8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.554 -6.701 -7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.617 -4.787 -8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.346 -3.792 -7.638 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.312 -4.887 -10.061 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.896 -2.694 -9.015 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.885 -1.769 -10.520 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.297 -3.692 -12.007 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.409 -2.336 -12.219 1.00 0.00 H new ATOM 1202 N ALA A 78 -1.726 -4.513 -4.480 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.394 -3.757 -3.284 1.00 0.00 C ATOM 1204 C ALA A 78 -0.070 -3.022 -3.503 1.00 0.00 C ATOM 1205 O ALA A 78 0.248 -2.079 -2.780 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.345 -4.700 -2.081 1.00 0.00 C ATOM 0 H ALA A 78 -1.253 -5.413 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.158 -3.007 -3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.096 -4.133 -1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.317 -5.175 -1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.587 -5.465 -2.249 1.00 0.00 H new ATOM 1212 N ALA A 79 0.668 -3.483 -4.503 1.00 0.00 N ATOM 1213 CA ALA A 79 1.950 -2.881 -4.826 1.00 0.00 C ATOM 1214 C ALA A 79 1.718 -1.549 -5.542 1.00 0.00 C ATOM 1215 O ALA A 79 2.509 -0.618 -5.401 1.00 0.00 O ATOM 1216 CB ALA A 79 2.776 -3.858 -5.665 1.00 0.00 C ATOM 0 H ALA A 79 0.402 -4.266 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 79 2.515 -2.672 -3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.738 -3.406 -5.907 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.938 -4.776 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.241 -4.089 -6.586 1.00 0.00 H new ATOM 1222 N GLN A 80 0.629 -1.501 -6.296 1.00 0.00 N ATOM 1223 CA GLN A 80 0.283 -0.299 -7.034 1.00 0.00 C ATOM 1224 C GLN A 80 -0.551 0.640 -6.160 1.00 0.00 C ATOM 1225 O GLN A 80 -0.452 1.860 -6.283 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.457 -0.644 -8.328 1.00 0.00 C ATOM 1227 CG GLN A 80 0.449 -1.417 -9.288 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.287 -1.753 -10.587 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -0.742 -2.864 -10.804 1.00 0.00 O ATOM 1230 NE2 GLN A 80 -0.379 -0.733 -11.436 1.00 0.00 N ATOM 0 H GLN A 80 -0.025 -2.275 -6.411 1.00 0.00 H new ATOM 0 HA GLN A 80 1.205 0.214 -7.307 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.341 -1.239 -8.098 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.804 0.271 -8.808 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.337 -0.825 -9.512 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.790 -2.336 -8.811 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.024 0.172 -11.192 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.853 -0.856 -12.331 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.353 0.035 -5.296 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.203 0.802 -4.402 1.00 0.00 C ATOM 1241 C GLU A 81 -1.354 1.712 -3.512 1.00 0.00 C ATOM 1242 O GLU A 81 -1.599 2.915 -3.434 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.085 -0.121 -3.558 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.559 0.024 -3.945 1.00 0.00 C ATOM 1245 CD GLU A 81 -5.472 -0.472 -2.823 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.071 -1.451 -2.156 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -6.550 0.139 -2.656 1.00 0.00 O ATOM 0 H GLU A 81 -1.432 -0.977 -5.196 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.860 1.428 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.770 -1.156 -3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.958 0.115 -2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.780 1.069 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.757 -0.541 -4.856 1.00 0.00 H new ATOM 1254 N THR A 82 -0.372 1.103 -2.863 1.00 0.00 N ATOM 1255 CA THR A 82 0.515 1.843 -1.982 1.00 0.00 C ATOM 1256 C THR A 82 1.246 2.939 -2.760 1.00 0.00 C ATOM 1257 O THR A 82 1.257 4.097 -2.345 1.00 0.00 O ATOM 1258 CB THR A 82 1.458 0.842 -1.311 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.756 0.436 -0.140 1.00 0.00 O ATOM 1260 CG2 THR A 82 2.728 1.504 -0.774 1.00 0.00 C ATOM 0 H THR A 82 -0.171 0.105 -2.930 1.00 0.00 H new ATOM 0 HA THR A 82 -0.043 2.359 -1.201 1.00 0.00 H new ATOM 0 HB THR A 82 1.729 0.063 -2.024 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.464 -0.494 -0.240 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.362 0.750 -0.308 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.268 1.975 -1.595 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.460 2.260 -0.035 1.00 0.00 H new ATOM 1268 N GLU A 83 1.839 2.535 -3.873 1.00 0.00 N ATOM 1269 CA GLU A 83 2.570 3.469 -4.713 1.00 0.00 C ATOM 1270 C GLU A 83 1.635 4.564 -5.229 1.00 0.00 C ATOM 1271 O GLU A 83 1.965 5.748 -5.166 1.00 0.00 O ATOM 1272 CB GLU A 83 3.256 2.743 -5.872 1.00 0.00 C ATOM 1273 CG GLU A 83 4.210 1.665 -5.355 1.00 0.00 C ATOM 1274 CD GLU A 83 5.657 2.163 -5.362 1.00 0.00 C ATOM 1275 OE1 GLU A 83 6.068 2.698 -6.415 1.00 0.00 O ATOM 1276 OE2 GLU A 83 6.319 1.999 -4.315 1.00 0.00 O ATOM 0 H GLU A 83 1.829 1.573 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 83 3.347 3.937 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.504 2.289 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.807 3.460 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.926 1.378 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.126 0.772 -5.975 1.00 0.00 H new ATOM 1283 N ARG A 84 0.486 4.131 -5.727 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.500 5.060 -6.253 1.00 0.00 C ATOM 1285 C ARG A 84 -0.711 6.219 -5.277 1.00 0.00 C ATOM 1286 O ARG A 84 -0.675 7.383 -5.672 1.00 0.00 O ATOM 1287 CB ARG A 84 -1.838 4.361 -6.502 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.846 5.318 -7.141 1.00 0.00 C ATOM 1289 CD ARG A 84 -2.466 5.627 -8.590 1.00 0.00 C ATOM 1290 NE ARG A 84 -2.855 4.500 -9.467 1.00 0.00 N ATOM 1291 CZ ARG A 84 -2.054 3.468 -9.763 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -0.815 3.414 -9.255 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -2.491 2.489 -10.568 1.00 0.00 N ATOM 0 H ARG A 84 0.216 3.149 -5.777 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.122 5.443 -7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.687 3.499 -7.152 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.236 3.984 -5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.842 4.877 -7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.888 6.244 -6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.961 6.541 -8.917 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.393 5.802 -8.664 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.791 4.510 -9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.482 4.159 -8.643 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.205 2.628 -9.480 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.434 2.530 -10.955 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.881 1.703 -10.793 1.00 0.00 H new ATOM 1307 N LEU A 85 -0.928 5.859 -4.020 1.00 0.00 N ATOM 1308 CA LEU A 85 -1.146 6.855 -2.984 1.00 0.00 C ATOM 1309 C LEU A 85 0.132 7.673 -2.792 1.00 0.00 C ATOM 1310 O LEU A 85 0.078 8.896 -2.673 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.649 6.191 -1.700 1.00 0.00 C ATOM 1312 CG LEU A 85 -3.169 6.102 -1.543 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.804 7.494 -1.561 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.777 5.180 -2.601 1.00 0.00 C ATOM 0 H LEU A 85 -0.958 4.892 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.929 7.551 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.239 5.182 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.247 6.740 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.387 5.661 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.884 7.403 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.402 8.088 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.579 7.984 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.858 5.135 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.551 5.567 -3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.356 4.180 -2.497 1.00 0.00 H new ATOM 1326 N LEU A 86 1.252 6.966 -2.769 1.00 0.00 N ATOM 1327 CA LEU A 86 2.542 7.611 -2.594 1.00 0.00 C ATOM 1328 C LEU A 86 2.674 8.758 -3.599 1.00 0.00 C ATOM 1329 O LEU A 86 3.123 9.847 -3.247 1.00 0.00 O ATOM 1330 CB LEU A 86 3.672 6.584 -2.683 1.00 0.00 C ATOM 1331 CG LEU A 86 4.340 6.206 -1.359 1.00 0.00 C ATOM 1332 CD1 LEU A 86 5.403 5.127 -1.570 1.00 0.00 C ATOM 1333 CD2 LEU A 86 4.908 7.442 -0.659 1.00 0.00 C ATOM 0 H LEU A 86 1.293 5.952 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 86 2.617 8.048 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.277 5.677 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.437 6.972 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 86 3.580 5.785 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.862 4.877 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.939 4.237 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.167 5.498 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.377 7.145 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.650 7.915 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.102 8.147 -0.455 1.00 0.00 H new ATOM 1345 N LYS A 87 2.273 8.473 -4.829 1.00 0.00 N ATOM 1346 CA LYS A 87 2.341 9.467 -5.887 1.00 0.00 C ATOM 1347 C LYS A 87 1.522 10.694 -5.481 1.00 0.00 C ATOM 1348 O LYS A 87 2.056 11.799 -5.390 1.00 0.00 O ATOM 1349 CB LYS A 87 1.914 8.857 -7.224 1.00 0.00 C ATOM 1350 CG LYS A 87 2.957 7.859 -7.730 1.00 0.00 C ATOM 1351 CD LYS A 87 3.268 8.094 -9.209 1.00 0.00 C ATOM 1352 CE LYS A 87 3.898 6.851 -9.841 1.00 0.00 C ATOM 1353 NZ LYS A 87 5.348 6.799 -9.548 1.00 0.00 N ATOM 0 H LYS A 87 1.900 7.568 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 87 3.368 9.802 -6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.953 8.356 -7.109 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.775 9.648 -7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.871 7.953 -7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.591 6.842 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.352 8.352 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.946 8.942 -9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.411 5.954 -9.458 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.739 6.864 -10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.760 5.949 -9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.811 7.646 -9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.493 6.765 -8.519 1.00 0.00 H new ATOM 1367 N GLU A 88 0.239 10.459 -5.249 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.659 11.531 -4.855 1.00 0.00 C ATOM 1369 C GLU A 88 -0.032 12.363 -3.734 1.00 0.00 C ATOM 1370 O GLU A 88 0.009 13.590 -3.815 1.00 0.00 O ATOM 1371 CB GLU A 88 -2.021 10.978 -4.431 1.00 0.00 C ATOM 1372 CG GLU A 88 -2.976 10.900 -5.624 1.00 0.00 C ATOM 1373 CD GLU A 88 -3.756 12.206 -5.788 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -4.348 12.644 -4.777 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -3.744 12.737 -6.919 1.00 0.00 O ATOM 0 H GLU A 88 -0.200 9.542 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.819 12.179 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.896 9.987 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.451 11.614 -3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.412 10.693 -6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.671 10.072 -5.484 1.00 0.00 H new ATOM 1382 N LEU A 89 0.441 11.663 -2.713 1.00 0.00 N ATOM 1383 CA LEU A 89 1.063 12.321 -1.578 1.00 0.00 C ATOM 1384 C LEU A 89 1.940 13.471 -2.078 1.00 0.00 C ATOM 1385 O LEU A 89 1.598 14.639 -1.902 1.00 0.00 O ATOM 1386 CB LEU A 89 1.815 11.305 -0.715 1.00 0.00 C ATOM 1387 CG LEU A 89 2.571 11.875 0.487 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.600 12.392 1.551 1.00 0.00 C ATOM 1389 CD2 LEU A 89 3.551 10.847 1.056 1.00 0.00 C ATOM 0 H LEU A 89 0.406 10.646 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 89 0.304 12.757 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.100 10.566 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.526 10.776 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 89 3.160 12.727 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.163 12.792 2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.978 13.179 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.966 11.574 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.075 11.277 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.003 9.961 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.274 10.570 0.289 1.00 0.00 H new ATOM 1401 N GLU A 90 3.054 13.100 -2.692 1.00 0.00 N ATOM 1402 CA GLU A 90 3.982 14.086 -3.219 1.00 0.00 C ATOM 1403 C GLU A 90 3.217 15.246 -3.858 1.00 0.00 C ATOM 1404 O GLU A 90 3.596 16.406 -3.700 1.00 0.00 O ATOM 1405 CB GLU A 90 4.949 13.449 -4.219 1.00 0.00 C ATOM 1406 CG GLU A 90 6.076 12.708 -3.497 1.00 0.00 C ATOM 1407 CD GLU A 90 7.142 12.233 -4.486 1.00 0.00 C ATOM 1408 OE1 GLU A 90 7.400 12.988 -5.448 1.00 0.00 O ATOM 1409 OE2 GLU A 90 7.674 11.125 -4.258 1.00 0.00 O ATOM 0 H GLU A 90 3.335 12.130 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 90 4.573 14.479 -2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.407 12.756 -4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.371 14.220 -4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.530 13.364 -2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.667 11.853 -2.959 1.00 0.00 H new ATOM 1416 N GLN A 91 2.155 14.894 -4.567 1.00 0.00 N ATOM 1417 CA GLN A 91 1.334 15.892 -5.231 1.00 0.00 C ATOM 1418 C GLN A 91 0.562 16.716 -4.199 1.00 0.00 C ATOM 1419 O GLN A 91 0.785 17.919 -4.067 1.00 0.00 O ATOM 1420 CB GLN A 91 0.381 15.239 -6.234 1.00 0.00 C ATOM 1421 CG GLN A 91 0.980 15.244 -7.642 1.00 0.00 C ATOM 1422 CD GLN A 91 0.710 13.918 -8.358 1.00 0.00 C ATOM 1423 OE1 GLN A 91 0.589 12.868 -7.749 1.00 0.00 O ATOM 1424 NE2 GLN A 91 0.621 14.026 -9.681 1.00 0.00 N ATOM 0 H GLN A 91 1.844 13.931 -4.696 1.00 0.00 H new ATOM 0 HA GLN A 91 1.990 16.563 -5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.171 14.214 -5.928 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.570 15.772 -6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 91 0.555 16.066 -8.219 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.055 15.417 -7.583 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.733 14.937 -10.127 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.441 13.198 -10.249 1.00 0.00 H new ATOM 1433 N ASN A 92 -0.330 16.037 -3.493 1.00 0.00 N ATOM 1434 CA ASN A 92 -1.136 16.691 -2.477 1.00 0.00 C ATOM 1435 C ASN A 92 -0.222 17.480 -1.537 1.00 0.00 C ATOM 1436 O ASN A 92 -0.657 18.444 -0.908 1.00 0.00 O ATOM 1437 CB ASN A 92 -1.905 15.667 -1.639 1.00 0.00 C ATOM 1438 CG ASN A 92 -3.403 15.723 -1.943 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -4.130 16.573 -1.456 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -3.823 14.773 -2.773 1.00 0.00 N ATOM 0 H ASN A 92 -0.512 15.040 -3.605 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.844 17.349 -2.981 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.526 14.666 -1.844 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.738 15.860 -0.579 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.807 14.726 -3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.161 14.092 -3.145 1.00 0.00 H new ATOM 1447 N ALA A 93 1.026 17.042 -1.472 1.00 0.00 N ATOM 1448 CA ALA A 93 2.005 17.695 -0.620 1.00 0.00 C ATOM 1449 C ALA A 93 1.829 19.212 -0.718 1.00 0.00 C ATOM 1450 O ALA A 93 1.348 19.847 0.220 1.00 0.00 O ATOM 1451 CB ALA A 93 3.411 17.245 -1.019 1.00 0.00 C ATOM 0 H ALA A 93 1.382 16.242 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 93 1.856 17.412 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.145 17.735 -0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.494 16.164 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.598 17.514 -2.059 1.00 0.00 H new ATOM 1457 N SER A 94 2.227 19.749 -1.862 1.00 0.00 N ATOM 1458 CA SER A 94 2.119 21.179 -2.095 1.00 0.00 C ATOM 1459 C SER A 94 2.632 21.521 -3.495 1.00 0.00 C ATOM 1460 O SER A 94 2.083 22.395 -4.164 1.00 0.00 O ATOM 1461 CB SER A 94 2.894 21.969 -1.038 1.00 0.00 C ATOM 1462 OG SER A 94 2.379 23.288 -0.874 1.00 0.00 O ATOM 0 H SER A 94 2.625 19.219 -2.638 1.00 0.00 H new ATOM 0 HA SER A 94 1.068 21.459 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.849 21.441 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.945 22.023 -1.323 1.00 0.00 H new ATOM 0 HG SER A 94 2.899 23.759 -0.190 1.00 0.00 H new