USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 26 GLN : amide:sc= -0.144 K(o=-0.32,f=-1.9!) USER MOD Set 1.2: A 69 GLN : amide:sc= -0.0847 X(o=-0.32,f=-0.6) USER MOD Set 1.3: A 72 GLN : amide:sc= -0.0901 K(o=-0.32,f=-1.4) USER MOD Set 2.1: A 37 GLN : amide:sc= -0.677 X(o=-10,f=-11) USER MOD Set 2.2: A 38 GLN : amide:sc= -9.7! C(o=-10!,f=-11!) USER MOD Single : A 15 THR OG1 : rot 29:sc= 0.0369 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 16:sc= 0.66! USER MOD Single : A 23 ASN : amide:sc= -1.14 K(o=-1.1,f=0.7) USER MOD Single : A 27 HIS : no HD1:sc= -0.0314 X(o=-0.031,f=-0.031) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 170:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.4) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 32:sc= 0.119 USER MOD Single : A 68 ASN : amide:sc= -0.0134 K(o=-0.013,f=-1.3) USER MOD Single : A 73 THR OG1 : rot -80:sc= 0.864 USER MOD Single : A 74 MET CE :methyl -154:sc= -0.0753 (180deg=-0.446) USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00475 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -157:sc= -0.176 (180deg=-0.705) USER MOD Single : A 95 CYS SG : rot -104:sc= -2.79! USER MOD Single : A 99 HIS : no HD1:sc= -0.561 K(o=-0.56,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 168 N THR A 15 -9.501 6.798 11.715 1.00 0.00 N ATOM 169 CA THR A 15 -8.386 6.751 10.776 1.00 0.00 C ATOM 170 C THR A 15 -7.578 5.470 10.947 1.00 0.00 C ATOM 171 O THR A 15 -7.250 5.074 12.066 1.00 0.00 O ATOM 172 CB THR A 15 -7.452 7.962 10.954 1.00 0.00 C ATOM 173 OG1 THR A 15 -8.168 9.175 10.699 1.00 0.00 O ATOM 174 CG2 THR A 15 -6.258 7.866 10.015 1.00 0.00 C ATOM 0 HA THR A 15 -8.814 6.776 9.774 1.00 0.00 H new ATOM 0 HB THR A 15 -7.088 7.965 11.982 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.115 9.048 10.917 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.612 8.732 10.158 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.698 6.956 10.230 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.608 7.841 8.983 1.00 0.00 H new ATOM 182 N LYS A 16 -7.257 4.825 9.830 1.00 0.00 N ATOM 183 CA LYS A 16 -6.484 3.589 9.855 1.00 0.00 C ATOM 184 C LYS A 16 -5.007 3.866 9.590 1.00 0.00 C ATOM 185 O LYS A 16 -4.661 4.817 8.891 1.00 0.00 O ATOM 186 CB LYS A 16 -7.024 2.605 8.815 1.00 0.00 C ATOM 187 CG LYS A 16 -8.267 1.860 9.270 1.00 0.00 C ATOM 188 CD LYS A 16 -7.928 0.775 10.279 1.00 0.00 C ATOM 189 CE LYS A 16 -9.153 0.353 11.075 1.00 0.00 C ATOM 190 NZ LYS A 16 -9.371 1.226 12.262 1.00 0.00 N ATOM 0 H LYS A 16 -7.521 5.138 8.896 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.581 3.149 10.847 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.251 3.148 7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.245 1.882 8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.972 2.563 9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.762 1.414 8.407 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.514 -0.090 9.760 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.157 1.137 10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.033 0.387 10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.036 -0.681 11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.215 0.906 12.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.542 1.174 12.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.508 2.209 11.950 1.00 0.00 H new ATOM 204 N GLU A 17 -4.143 3.026 10.152 1.00 0.00 N ATOM 205 CA GLU A 17 -2.704 3.181 9.975 1.00 0.00 C ATOM 206 C GLU A 17 -2.016 1.822 9.897 1.00 0.00 C ATOM 207 O GLU A 17 -2.116 1.009 10.817 1.00 0.00 O ATOM 208 CB GLU A 17 -2.111 4.000 11.124 1.00 0.00 C ATOM 209 CG GLU A 17 -2.697 5.397 11.241 1.00 0.00 C ATOM 210 CD GLU A 17 -2.684 5.918 12.665 1.00 0.00 C ATOM 211 OE1 GLU A 17 -1.591 6.265 13.159 1.00 0.00 O ATOM 212 OE2 GLU A 17 -3.766 5.978 13.286 1.00 0.00 O ATOM 0 H GLU A 17 -4.414 2.233 10.733 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.534 3.709 9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.274 3.467 12.061 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.033 4.078 10.985 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.133 6.078 10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.722 5.389 10.870 1.00 0.00 H new ATOM 219 N LEU A 18 -1.317 1.581 8.793 1.00 0.00 N ATOM 220 CA LEU A 18 -0.612 0.320 8.593 1.00 0.00 C ATOM 221 C LEU A 18 0.898 0.534 8.594 1.00 0.00 C ATOM 222 O LEU A 18 1.410 1.420 7.909 1.00 0.00 O ATOM 223 CB LEU A 18 -1.047 -0.327 7.277 1.00 0.00 C ATOM 224 CG LEU A 18 -0.908 -1.848 7.199 1.00 0.00 C ATOM 225 CD1 LEU A 18 -2.004 -2.526 8.006 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.944 -2.313 5.751 1.00 0.00 C ATOM 0 H LEU A 18 -1.223 2.243 8.022 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.866 -0.345 9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.090 -0.068 7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.463 0.113 6.468 1.00 0.00 H new ATOM 0 HG LEU A 18 0.055 -2.128 7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.889 -3.608 7.939 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.932 -2.217 9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.978 -2.239 7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.844 -3.398 5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.892 -2.021 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.122 -1.854 5.201 1.00 0.00 H new ATOM 238 N VAL A 19 1.607 -0.284 9.365 1.00 0.00 N ATOM 239 CA VAL A 19 3.059 -0.186 9.452 1.00 0.00 C ATOM 240 C VAL A 19 3.713 -1.552 9.272 1.00 0.00 C ATOM 241 O VAL A 19 3.495 -2.466 10.067 1.00 0.00 O ATOM 242 CB VAL A 19 3.502 0.410 10.801 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.017 0.519 10.866 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.851 1.767 11.023 1.00 0.00 C ATOM 0 H VAL A 19 1.199 -1.022 9.939 1.00 0.00 H new ATOM 0 HA VAL A 19 3.381 0.477 8.648 1.00 0.00 H new ATOM 0 HB VAL A 19 3.176 -0.259 11.598 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.310 0.942 11.827 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.458 -0.472 10.756 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.370 1.165 10.062 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.175 2.174 11.981 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.144 2.446 10.223 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.767 1.655 11.025 1.00 0.00 H new ATOM 254 N PHE A 20 4.517 -1.683 8.222 1.00 0.00 N ATOM 255 CA PHE A 20 5.204 -2.937 7.937 1.00 0.00 C ATOM 256 C PHE A 20 6.586 -2.678 7.344 1.00 0.00 C ATOM 257 O PHE A 20 7.022 -1.532 7.236 1.00 0.00 O ATOM 258 CB PHE A 20 4.375 -3.790 6.975 1.00 0.00 C ATOM 259 CG PHE A 20 3.884 -3.033 5.774 1.00 0.00 C ATOM 260 CD1 PHE A 20 2.783 -2.197 5.868 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.524 -3.158 4.552 1.00 0.00 C ATOM 262 CE1 PHE A 20 2.329 -1.500 4.764 1.00 0.00 C ATOM 263 CE2 PHE A 20 4.075 -2.463 3.444 1.00 0.00 C ATOM 264 CZ PHE A 20 2.976 -1.633 3.551 1.00 0.00 C ATOM 0 H PHE A 20 4.709 -0.936 7.554 1.00 0.00 H new ATOM 0 HA PHE A 20 5.327 -3.477 8.876 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.977 -4.635 6.641 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.519 -4.200 7.511 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.274 -2.089 6.814 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.384 -3.806 4.463 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.469 -0.852 4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.583 -2.569 2.497 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.623 -1.089 2.687 1.00 0.00 H new ATOM 274 N SER A 21 7.269 -3.752 6.960 1.00 0.00 N ATOM 275 CA SER A 21 8.603 -3.642 6.381 1.00 0.00 C ATOM 276 C SER A 21 8.553 -3.810 4.865 1.00 0.00 C ATOM 277 O SER A 21 7.558 -4.282 4.315 1.00 0.00 O ATOM 278 CB SER A 21 9.534 -4.691 6.991 1.00 0.00 C ATOM 279 OG SER A 21 9.068 -6.003 6.727 1.00 0.00 O ATOM 0 H SER A 21 6.921 -4.707 7.039 1.00 0.00 H new ATOM 0 HA SER A 21 8.989 -2.648 6.606 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.538 -4.570 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.605 -4.537 8.068 1.00 0.00 H new ATOM 0 HG SER A 21 9.682 -6.655 7.126 1.00 0.00 H new ATOM 285 N SER A 22 9.633 -3.420 4.197 1.00 0.00 N ATOM 286 CA SER A 22 9.712 -3.523 2.744 1.00 0.00 C ATOM 287 C SER A 22 10.096 -4.938 2.321 1.00 0.00 C ATOM 288 O SER A 22 10.164 -5.244 1.131 1.00 0.00 O ATOM 289 CB SER A 22 10.729 -2.520 2.195 1.00 0.00 C ATOM 290 OG SER A 22 11.273 -2.967 0.966 1.00 0.00 O ATOM 0 H SER A 22 10.466 -3.030 4.638 1.00 0.00 H new ATOM 0 HA SER A 22 8.729 -3.293 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.249 -1.552 2.053 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.530 -2.376 2.920 1.00 0.00 H new ATOM 0 HG SER A 22 10.710 -3.681 0.599 1.00 0.00 H new ATOM 296 N ASN A 23 10.347 -5.796 3.304 1.00 0.00 N ATOM 297 CA ASN A 23 10.725 -7.178 3.034 1.00 0.00 C ATOM 298 C ASN A 23 9.549 -8.120 3.272 1.00 0.00 C ATOM 299 O ASN A 23 9.707 -9.342 3.260 1.00 0.00 O ATOM 300 CB ASN A 23 11.907 -7.587 3.916 1.00 0.00 C ATOM 301 CG ASN A 23 12.684 -8.754 3.338 1.00 0.00 C ATOM 302 OD1 ASN A 23 12.115 -9.802 3.032 1.00 0.00 O ATOM 303 ND2 ASN A 23 13.991 -8.576 3.184 1.00 0.00 N ATOM 0 H ASN A 23 10.295 -5.559 4.295 1.00 0.00 H new ATOM 0 HA ASN A 23 11.019 -7.250 1.987 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.576 -6.735 4.041 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.542 -7.853 4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.566 -9.325 2.798 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.420 -7.690 3.451 1.00 0.00 H new ATOM 310 N ILE A 24 8.371 -7.544 3.487 1.00 0.00 N ATOM 311 CA ILE A 24 7.168 -8.332 3.725 1.00 0.00 C ATOM 312 C ILE A 24 7.033 -9.453 2.700 1.00 0.00 C ATOM 313 O ILE A 24 6.762 -10.601 3.051 1.00 0.00 O ATOM 314 CB ILE A 24 5.903 -7.456 3.680 1.00 0.00 C ATOM 315 CG1 ILE A 24 4.648 -8.328 3.760 1.00 0.00 C ATOM 316 CG2 ILE A 24 5.888 -6.611 2.415 1.00 0.00 C ATOM 317 CD1 ILE A 24 3.434 -7.594 4.285 1.00 0.00 C ATOM 0 H ILE A 24 8.224 -6.535 3.501 1.00 0.00 H new ATOM 0 HA ILE A 24 7.266 -8.764 4.721 1.00 0.00 H new ATOM 0 HB ILE A 24 5.912 -6.787 4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.424 -8.720 2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.851 -9.184 4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.987 -5.997 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.767 -5.966 2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.899 -7.263 1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.582 -8.274 4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.638 -7.225 5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.205 -6.754 3.629 1.00 0.00 H new ATOM 329 N GLY A 25 7.226 -9.112 1.429 1.00 0.00 N ATOM 330 CA GLY A 25 7.123 -10.101 0.372 1.00 0.00 C ATOM 331 C GLY A 25 5.811 -10.009 -0.382 1.00 0.00 C ATOM 332 O GLY A 25 4.910 -9.272 0.017 1.00 0.00 O ATOM 0 H GLY A 25 7.452 -8.169 1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.950 -9.970 -0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.223 -11.098 0.801 1.00 0.00 H new ATOM 336 N GLN A 26 5.705 -10.759 -1.474 1.00 0.00 N ATOM 337 CA GLN A 26 4.494 -10.757 -2.287 1.00 0.00 C ATOM 338 C GLN A 26 3.393 -11.579 -1.625 1.00 0.00 C ATOM 339 O GLN A 26 2.276 -11.098 -1.431 1.00 0.00 O ATOM 340 CB GLN A 26 4.790 -11.308 -3.683 1.00 0.00 C ATOM 341 CG GLN A 26 3.771 -10.889 -4.731 1.00 0.00 C ATOM 342 CD GLN A 26 4.074 -9.528 -5.327 1.00 0.00 C ATOM 343 OE1 GLN A 26 5.230 -9.110 -5.394 1.00 0.00 O ATOM 344 NE2 GLN A 26 3.034 -8.829 -5.765 1.00 0.00 N ATOM 0 H GLN A 26 6.442 -11.375 -1.816 1.00 0.00 H new ATOM 0 HA GLN A 26 4.149 -9.727 -2.377 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.779 -10.972 -3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.823 -12.396 -3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.747 -11.633 -5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.778 -10.872 -4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.093 -9.214 -5.690 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.176 -7.907 -6.177 1.00 0.00 H new ATOM 353 N HIS A 27 3.715 -12.822 -1.282 1.00 0.00 N ATOM 354 CA HIS A 27 2.753 -13.712 -0.641 1.00 0.00 C ATOM 355 C HIS A 27 2.157 -13.062 0.604 1.00 0.00 C ATOM 356 O HIS A 27 0.951 -13.141 0.841 1.00 0.00 O ATOM 357 CB HIS A 27 3.420 -15.037 -0.270 1.00 0.00 C ATOM 358 CG HIS A 27 3.994 -15.768 -1.445 1.00 0.00 C ATOM 359 ND1 HIS A 27 5.261 -16.311 -1.447 1.00 0.00 N ATOM 360 CD2 HIS A 27 3.465 -16.046 -2.659 1.00 0.00 C ATOM 361 CE1 HIS A 27 5.488 -16.889 -2.612 1.00 0.00 C ATOM 362 NE2 HIS A 27 4.413 -16.743 -3.366 1.00 0.00 N ATOM 0 H HIS A 27 4.634 -13.236 -1.437 1.00 0.00 H new ATOM 0 HA HIS A 27 1.947 -13.906 -1.349 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.214 -14.845 0.451 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.689 -15.677 0.224 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.480 -15.771 -3.007 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.398 -17.395 -2.900 1.00 0.00 H new ATOM 0 HE2 HIS A 27 4.305 -17.091 -4.319 1.00 0.00 H new ATOM 371 N ASP A 28 3.009 -12.421 1.396 1.00 0.00 N ATOM 372 CA ASP A 28 2.567 -11.758 2.617 1.00 0.00 C ATOM 373 C ASP A 28 1.823 -10.466 2.295 1.00 0.00 C ATOM 374 O ASP A 28 0.652 -10.308 2.642 1.00 0.00 O ATOM 375 CB ASP A 28 3.763 -11.460 3.523 1.00 0.00 C ATOM 376 CG ASP A 28 4.425 -12.721 4.042 1.00 0.00 C ATOM 377 OD1 ASP A 28 3.723 -13.745 4.184 1.00 0.00 O ATOM 378 OD2 ASP A 28 5.645 -12.685 4.305 1.00 0.00 O ATOM 0 H ASP A 28 4.010 -12.346 1.214 1.00 0.00 H new ATOM 0 HA ASP A 28 1.884 -12.429 3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.495 -10.870 2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.434 -10.853 4.366 1.00 0.00 H new ATOM 383 N LEU A 29 2.511 -9.544 1.630 1.00 0.00 N ATOM 384 CA LEU A 29 1.915 -8.264 1.261 1.00 0.00 C ATOM 385 C LEU A 29 0.494 -8.454 0.742 1.00 0.00 C ATOM 386 O LEU A 29 -0.372 -7.603 0.947 1.00 0.00 O ATOM 387 CB LEU A 29 2.770 -7.569 0.200 1.00 0.00 C ATOM 388 CG LEU A 29 2.235 -6.236 -0.326 1.00 0.00 C ATOM 389 CD1 LEU A 29 2.165 -5.210 0.794 1.00 0.00 C ATOM 390 CD2 LEU A 29 3.103 -5.725 -1.466 1.00 0.00 C ATOM 0 H LEU A 29 3.481 -9.658 1.336 1.00 0.00 H new ATOM 0 HA LEU A 29 1.875 -7.639 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.763 -7.400 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.889 -8.248 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 29 1.227 -6.397 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.782 -4.268 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.501 -5.573 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.162 -5.053 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.707 -4.776 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.123 -5.581 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.102 -6.452 -2.278 1.00 0.00 H new ATOM 402 N ASP A 30 0.261 -9.576 0.069 1.00 0.00 N ATOM 403 CA ASP A 30 -1.057 -9.880 -0.477 1.00 0.00 C ATOM 404 C ASP A 30 -2.150 -9.583 0.544 1.00 0.00 C ATOM 405 O ASP A 30 -3.146 -8.929 0.233 1.00 0.00 O ATOM 406 CB ASP A 30 -1.128 -11.345 -0.908 1.00 0.00 C ATOM 407 CG ASP A 30 -2.338 -11.636 -1.774 1.00 0.00 C ATOM 408 OD1 ASP A 30 -2.479 -10.991 -2.834 1.00 0.00 O ATOM 409 OD2 ASP A 30 -3.144 -12.510 -1.391 1.00 0.00 O ATOM 0 H ASP A 30 0.967 -10.290 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.218 -9.245 -1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.222 -11.604 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.157 -11.980 -0.023 1.00 0.00 H new ATOM 414 N THR A 31 -1.959 -10.071 1.766 1.00 0.00 N ATOM 415 CA THR A 31 -2.930 -9.861 2.833 1.00 0.00 C ATOM 416 C THR A 31 -3.097 -8.377 3.140 1.00 0.00 C ATOM 417 O THR A 31 -4.216 -7.865 3.190 1.00 0.00 O ATOM 418 CB THR A 31 -2.516 -10.596 4.122 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.278 -11.980 3.842 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.593 -10.467 5.189 1.00 0.00 C ATOM 0 H THR A 31 -1.141 -10.614 2.041 1.00 0.00 H new ATOM 0 HA THR A 31 -3.879 -10.266 2.481 1.00 0.00 H new ATOM 0 HB THR A 31 -1.600 -10.139 4.496 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.014 -12.440 4.666 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.278 -10.994 6.090 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.751 -9.414 5.421 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.523 -10.901 4.822 1.00 0.00 H new ATOM 428 N LYS A 32 -1.979 -7.690 3.344 1.00 0.00 N ATOM 429 CA LYS A 32 -2.001 -6.263 3.643 1.00 0.00 C ATOM 430 C LYS A 32 -2.853 -5.507 2.629 1.00 0.00 C ATOM 431 O LYS A 32 -3.682 -4.675 2.998 1.00 0.00 O ATOM 432 CB LYS A 32 -0.578 -5.700 3.649 1.00 0.00 C ATOM 433 CG LYS A 32 0.362 -6.432 4.592 1.00 0.00 C ATOM 434 CD LYS A 32 0.345 -5.819 5.983 1.00 0.00 C ATOM 435 CE LYS A 32 1.067 -6.702 6.990 1.00 0.00 C ATOM 436 NZ LYS A 32 0.218 -7.841 7.437 1.00 0.00 N ATOM 0 H LYS A 32 -1.045 -8.098 3.308 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.442 -6.132 4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.174 -5.747 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.614 -4.647 3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.074 -7.482 4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.376 -6.402 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.817 -4.837 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.686 -5.668 6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.985 -7.086 6.544 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.358 -6.105 7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.745 -8.419 8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.646 -7.475 7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.039 -8.426 6.616 1.00 0.00 H new ATOM 450 N SER A 33 -2.645 -5.803 1.350 1.00 0.00 N ATOM 451 CA SER A 33 -3.393 -5.149 0.283 1.00 0.00 C ATOM 452 C SER A 33 -4.893 -5.203 0.559 1.00 0.00 C ATOM 453 O SER A 33 -5.578 -4.180 0.534 1.00 0.00 O ATOM 454 CB SER A 33 -3.087 -5.810 -1.062 1.00 0.00 C ATOM 455 OG SER A 33 -1.702 -5.749 -1.357 1.00 0.00 O ATOM 0 H SER A 33 -1.965 -6.491 1.028 1.00 0.00 H new ATOM 0 HA SER A 33 -3.085 -4.104 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.412 -6.850 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.652 -5.314 -1.851 1.00 0.00 H new ATOM 0 HG SER A 33 -1.508 -6.313 -2.134 1.00 0.00 H new ATOM 461 N LYS A 34 -5.397 -6.404 0.822 1.00 0.00 N ATOM 462 CA LYS A 34 -6.814 -6.594 1.105 1.00 0.00 C ATOM 463 C LYS A 34 -7.246 -5.761 2.308 1.00 0.00 C ATOM 464 O LYS A 34 -8.177 -4.962 2.218 1.00 0.00 O ATOM 465 CB LYS A 34 -7.110 -8.073 1.362 1.00 0.00 C ATOM 466 CG LYS A 34 -6.721 -8.981 0.208 1.00 0.00 C ATOM 467 CD LYS A 34 -6.944 -10.444 0.550 1.00 0.00 C ATOM 468 CE LYS A 34 -6.709 -11.341 -0.656 1.00 0.00 C ATOM 469 NZ LYS A 34 -7.878 -11.346 -1.579 1.00 0.00 N ATOM 0 H LYS A 34 -4.844 -7.261 0.845 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.380 -6.263 0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.578 -8.391 2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.174 -8.192 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.305 -8.720 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.673 -8.821 -0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.273 -10.736 1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.962 -10.582 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.823 -11.002 -1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.508 -12.358 -0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.679 -11.969 -2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.718 -11.693 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.054 -10.380 -1.921 1.00 0.00 H new ATOM 483 N GLN A 35 -6.562 -5.955 3.431 1.00 0.00 N ATOM 484 CA GLN A 35 -6.876 -5.220 4.652 1.00 0.00 C ATOM 485 C GLN A 35 -7.022 -3.729 4.367 1.00 0.00 C ATOM 486 O GLN A 35 -7.947 -3.082 4.860 1.00 0.00 O ATOM 487 CB GLN A 35 -5.787 -5.447 5.702 1.00 0.00 C ATOM 488 CG GLN A 35 -6.051 -6.641 6.605 1.00 0.00 C ATOM 489 CD GLN A 35 -7.435 -6.609 7.224 1.00 0.00 C ATOM 490 OE1 GLN A 35 -7.815 -5.635 7.873 1.00 0.00 O ATOM 491 NE2 GLN A 35 -8.197 -7.679 7.026 1.00 0.00 N ATOM 0 H GLN A 35 -5.788 -6.613 3.521 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.825 -5.592 5.037 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.831 -5.588 5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.694 -4.551 6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.935 -7.560 6.030 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.303 -6.665 7.397 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.841 -8.465 6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.138 -7.715 7.419 1.00 0.00 H new ATOM 500 N ILE A 36 -6.105 -3.191 3.571 1.00 0.00 N ATOM 501 CA ILE A 36 -6.134 -1.776 3.221 1.00 0.00 C ATOM 502 C ILE A 36 -7.344 -1.449 2.352 1.00 0.00 C ATOM 503 O ILE A 36 -8.069 -0.491 2.618 1.00 0.00 O ATOM 504 CB ILE A 36 -4.853 -1.355 2.477 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.631 -1.526 3.382 1.00 0.00 C ATOM 506 CG2 ILE A 36 -4.967 0.085 1.999 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.316 -1.299 2.671 1.00 0.00 C ATOM 0 H ILE A 36 -5.333 -3.713 3.156 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.201 -1.220 4.156 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.729 -1.998 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.708 -0.830 4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.638 -2.532 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.054 0.368 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.817 0.178 1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.112 0.743 2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.494 -1.437 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.217 -2.012 1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.288 -0.284 2.274 1.00 0.00 H new ATOM 519 N GLN A 37 -7.555 -2.252 1.315 1.00 0.00 N ATOM 520 CA GLN A 37 -8.678 -2.048 0.408 1.00 0.00 C ATOM 521 C GLN A 37 -9.989 -1.937 1.180 1.00 0.00 C ATOM 522 O GLN A 37 -10.746 -0.984 1.001 1.00 0.00 O ATOM 523 CB GLN A 37 -8.763 -3.196 -0.600 1.00 0.00 C ATOM 524 CG GLN A 37 -9.504 -2.832 -1.876 1.00 0.00 C ATOM 525 CD GLN A 37 -9.790 -4.038 -2.749 1.00 0.00 C ATOM 526 OE1 GLN A 37 -10.131 -5.112 -2.252 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.654 -3.867 -4.059 1.00 0.00 N ATOM 0 H GLN A 37 -6.964 -3.050 1.082 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.513 -1.114 -0.129 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.754 -3.519 -0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.260 -4.045 -0.130 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.444 -2.343 -1.619 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.914 -2.111 -2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.369 -2.960 -4.428 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.834 -4.643 -4.696 1.00 0.00 H new ATOM 536 N GLN A 38 -10.249 -2.918 2.039 1.00 0.00 N ATOM 537 CA GLN A 38 -11.469 -2.930 2.837 1.00 0.00 C ATOM 538 C GLN A 38 -11.725 -1.562 3.460 1.00 0.00 C ATOM 539 O GLN A 38 -12.854 -1.071 3.460 1.00 0.00 O ATOM 540 CB GLN A 38 -11.375 -3.993 3.934 1.00 0.00 C ATOM 541 CG GLN A 38 -11.663 -5.402 3.441 1.00 0.00 C ATOM 542 CD GLN A 38 -10.615 -5.906 2.468 1.00 0.00 C ATOM 543 OE1 GLN A 38 -9.826 -6.793 2.793 1.00 0.00 O ATOM 544 NE2 GLN A 38 -10.603 -5.341 1.266 1.00 0.00 N ATOM 0 H GLN A 38 -9.632 -3.714 2.200 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.303 -3.171 2.177 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.376 -3.966 4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.077 -3.745 4.730 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.715 -6.078 4.295 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.640 -5.421 2.959 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.276 -4.609 1.040 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.921 -5.639 0.569 1.00 0.00 H new ATOM 553 N TRP A 39 -10.671 -0.951 3.989 1.00 0.00 N ATOM 554 CA TRP A 39 -10.783 0.361 4.616 1.00 0.00 C ATOM 555 C TRP A 39 -11.061 1.439 3.574 1.00 0.00 C ATOM 556 O TRP A 39 -12.074 2.136 3.644 1.00 0.00 O ATOM 557 CB TRP A 39 -9.502 0.694 5.383 1.00 0.00 C ATOM 558 CG TRP A 39 -9.175 -0.303 6.453 1.00 0.00 C ATOM 559 CD1 TRP A 39 -10.059 -0.943 7.274 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.873 -0.771 6.819 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.384 -1.782 8.129 1.00 0.00 N ATOM 562 CE2 TRP A 39 -8.042 -1.695 7.869 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.580 -0.502 6.361 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -6.967 -2.348 8.467 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.514 -1.150 6.955 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.712 -2.065 7.998 1.00 0.00 C ATOM 0 H TRP A 39 -9.729 -1.343 3.996 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.619 0.332 5.315 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.670 0.749 4.681 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.603 1.681 5.834 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -11.131 -0.810 7.255 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.813 -2.373 8.841 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.417 0.200 5.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.118 -3.052 9.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.511 -0.948 6.610 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.858 -2.556 8.440 1.00 0.00 H new ATOM 577 N ILE A 40 -10.156 1.572 2.610 1.00 0.00 N ATOM 578 CA ILE A 40 -10.306 2.565 1.554 1.00 0.00 C ATOM 579 C ILE A 40 -11.750 2.636 1.066 1.00 0.00 C ATOM 580 O ILE A 40 -12.270 3.716 0.792 1.00 0.00 O ATOM 581 CB ILE A 40 -9.387 2.258 0.357 1.00 0.00 C ATOM 582 CG1 ILE A 40 -7.918 2.376 0.771 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.694 3.195 -0.801 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.502 3.786 1.123 1.00 0.00 C ATOM 0 H ILE A 40 -9.311 1.005 2.539 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.022 3.526 1.983 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.572 1.235 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.737 1.728 1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.289 2.012 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.036 2.965 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.732 3.066 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.534 4.226 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.450 3.795 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.651 4.435 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.105 4.146 1.956 1.00 0.00 H new ATOM 596 N GLU A 41 -12.391 1.476 0.963 1.00 0.00 N ATOM 597 CA GLU A 41 -13.775 1.407 0.510 1.00 0.00 C ATOM 598 C GLU A 41 -14.647 2.401 1.271 1.00 0.00 C ATOM 599 O GLU A 41 -15.497 3.074 0.687 1.00 0.00 O ATOM 600 CB GLU A 41 -14.324 -0.010 0.688 1.00 0.00 C ATOM 601 CG GLU A 41 -14.096 -0.907 -0.517 1.00 0.00 C ATOM 602 CD GLU A 41 -14.967 -0.528 -1.699 1.00 0.00 C ATOM 603 OE1 GLU A 41 -16.131 -0.134 -1.477 1.00 0.00 O ATOM 604 OE2 GLU A 41 -14.483 -0.625 -2.847 1.00 0.00 O ATOM 0 H GLU A 41 -11.974 0.572 1.187 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.797 1.667 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.857 -0.464 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.393 0.047 0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.048 -0.855 -0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -14.298 -1.941 -0.239 1.00 0.00 H new ATOM 611 N LYS A 42 -14.430 2.489 2.579 1.00 0.00 N ATOM 612 CA LYS A 42 -15.194 3.400 3.422 1.00 0.00 C ATOM 613 C LYS A 42 -14.505 4.758 3.520 1.00 0.00 C ATOM 614 O LYS A 42 -14.490 5.383 4.581 1.00 0.00 O ATOM 615 CB LYS A 42 -15.373 2.805 4.821 1.00 0.00 C ATOM 616 CG LYS A 42 -16.327 1.624 4.862 1.00 0.00 C ATOM 617 CD LYS A 42 -16.194 0.845 6.160 1.00 0.00 C ATOM 618 CE LYS A 42 -16.843 -0.527 6.055 1.00 0.00 C ATOM 619 NZ LYS A 42 -16.769 -1.275 7.341 1.00 0.00 N ATOM 0 H LYS A 42 -13.730 1.940 3.078 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.174 3.541 2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.401 2.489 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.740 3.581 5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.352 1.979 4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.127 0.964 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.139 0.732 6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.657 1.406 6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.886 -0.414 5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.351 -1.103 5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.222 -2.204 7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.773 -1.405 7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.261 -0.738 8.084 1.00 0.00 H new ATOM 633 N LYS A 43 -13.937 5.209 2.407 1.00 0.00 N ATOM 634 CA LYS A 43 -13.249 6.494 2.365 1.00 0.00 C ATOM 635 C LYS A 43 -12.438 6.718 3.637 1.00 0.00 C ATOM 636 O LYS A 43 -12.503 7.785 4.247 1.00 0.00 O ATOM 637 CB LYS A 43 -14.258 7.631 2.184 1.00 0.00 C ATOM 638 CG LYS A 43 -14.894 7.665 0.806 1.00 0.00 C ATOM 639 CD LYS A 43 -14.031 8.422 -0.189 1.00 0.00 C ATOM 640 CE LYS A 43 -14.013 9.914 0.110 1.00 0.00 C ATOM 641 NZ LYS A 43 -13.405 10.695 -1.002 1.00 0.00 N ATOM 0 H LYS A 43 -13.939 4.703 1.521 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.566 6.484 1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.042 7.533 2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.758 8.582 2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.051 6.646 0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.875 8.135 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.014 8.032 -0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.408 8.257 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.031 10.262 0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.454 10.094 1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.411 11.706 -0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.425 10.381 -1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.953 10.544 -1.873 1.00 0.00 H new ATOM 655 N TYR A 44 -11.672 5.706 4.031 1.00 0.00 N ATOM 656 CA TYR A 44 -10.849 5.792 5.231 1.00 0.00 C ATOM 657 C TYR A 44 -9.402 6.120 4.876 1.00 0.00 C ATOM 658 O TYR A 44 -8.824 5.527 3.965 1.00 0.00 O ATOM 659 CB TYR A 44 -10.909 4.478 6.012 1.00 0.00 C ATOM 660 CG TYR A 44 -12.136 4.348 6.885 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.555 5.400 7.690 1.00 0.00 C ATOM 662 CD2 TYR A 44 -12.877 3.173 6.905 1.00 0.00 C ATOM 663 CE1 TYR A 44 -13.676 5.285 8.490 1.00 0.00 C ATOM 664 CE2 TYR A 44 -14.000 3.049 7.700 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.395 4.108 8.491 1.00 0.00 C ATOM 666 OH TYR A 44 -15.512 3.989 9.286 1.00 0.00 O ATOM 0 H TYR A 44 -11.604 4.817 3.536 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.243 6.595 5.854 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.884 3.646 5.309 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.019 4.395 6.636 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.995 6.323 7.691 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.570 2.342 6.288 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -13.987 6.112 9.111 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.565 2.129 7.702 1.00 0.00 H new ATOM 0 HH TYR A 44 -15.903 3.098 9.169 1.00 0.00 H new ATOM 676 N HIS A 45 -8.822 7.070 5.604 1.00 0.00 N ATOM 677 CA HIS A 45 -7.441 7.478 5.368 1.00 0.00 C ATOM 678 C HIS A 45 -6.467 6.467 5.965 1.00 0.00 C ATOM 679 O HIS A 45 -6.256 6.434 7.177 1.00 0.00 O ATOM 680 CB HIS A 45 -7.187 8.862 5.965 1.00 0.00 C ATOM 681 CG HIS A 45 -7.517 9.986 5.032 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.666 10.407 4.031 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.612 10.777 4.950 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.224 11.410 3.376 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.405 11.653 3.913 1.00 0.00 N ATOM 0 H HIS A 45 -9.286 7.571 6.361 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.279 7.520 4.291 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.778 8.970 6.875 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.139 8.937 6.255 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.486 10.728 5.582 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.788 11.941 2.543 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.058 12.374 3.607 1.00 0.00 H new ATOM 694 N VAL A 46 -5.876 5.643 5.105 1.00 0.00 N ATOM 695 CA VAL A 46 -4.923 4.631 5.547 1.00 0.00 C ATOM 696 C VAL A 46 -3.490 5.140 5.436 1.00 0.00 C ATOM 697 O VAL A 46 -3.013 5.442 4.343 1.00 0.00 O ATOM 698 CB VAL A 46 -5.062 3.334 4.728 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.101 2.273 5.242 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.497 2.831 4.766 1.00 0.00 C ATOM 0 H VAL A 46 -6.040 5.656 4.098 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.149 4.417 6.592 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.805 3.550 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.213 1.364 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.077 2.637 5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.323 2.057 6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.577 1.914 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.785 2.630 5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.159 3.588 4.345 1.00 0.00 H new ATOM 710 N GLN A 47 -2.810 5.230 6.574 1.00 0.00 N ATOM 711 CA GLN A 47 -1.431 5.702 6.604 1.00 0.00 C ATOM 712 C GLN A 47 -0.454 4.532 6.555 1.00 0.00 C ATOM 713 O GLN A 47 -0.397 3.719 7.478 1.00 0.00 O ATOM 714 CB GLN A 47 -1.183 6.538 7.861 1.00 0.00 C ATOM 715 CG GLN A 47 0.201 7.165 7.911 1.00 0.00 C ATOM 716 CD GLN A 47 0.506 7.800 9.253 1.00 0.00 C ATOM 717 OE1 GLN A 47 1.117 7.178 10.123 1.00 0.00 O ATOM 718 NE2 GLN A 47 0.081 9.046 9.429 1.00 0.00 N ATOM 0 H GLN A 47 -3.191 4.982 7.487 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.267 6.325 5.725 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.933 7.327 7.916 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.319 5.907 8.740 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.949 6.402 7.696 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.282 7.920 7.129 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.422 9.524 8.681 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.257 9.525 10.312 1.00 0.00 H new ATOM 727 N VAL A 48 0.314 4.453 5.473 1.00 0.00 N ATOM 728 CA VAL A 48 1.289 3.382 5.305 1.00 0.00 C ATOM 729 C VAL A 48 2.708 3.890 5.539 1.00 0.00 C ATOM 730 O VAL A 48 3.132 4.881 4.944 1.00 0.00 O ATOM 731 CB VAL A 48 1.204 2.762 3.897 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.195 1.616 3.758 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.213 2.290 3.608 1.00 0.00 C ATOM 0 H VAL A 48 0.280 5.118 4.700 1.00 0.00 H new ATOM 0 HA VAL A 48 1.052 2.618 6.046 1.00 0.00 H new ATOM 0 HB VAL A 48 1.464 3.527 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.121 1.190 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.207 1.988 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.968 0.847 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.255 1.855 2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.504 1.540 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.897 3.137 3.664 1.00 0.00 H new ATOM 743 N THR A 49 3.439 3.203 6.412 1.00 0.00 N ATOM 744 CA THR A 49 4.810 3.584 6.726 1.00 0.00 C ATOM 745 C THR A 49 5.753 2.392 6.607 1.00 0.00 C ATOM 746 O THR A 49 5.771 1.515 7.471 1.00 0.00 O ATOM 747 CB THR A 49 4.919 4.170 8.146 1.00 0.00 C ATOM 748 OG1 THR A 49 3.990 5.249 8.303 1.00 0.00 O ATOM 749 CG2 THR A 49 6.331 4.665 8.421 1.00 0.00 C ATOM 0 H THR A 49 3.104 2.380 6.914 1.00 0.00 H new ATOM 0 HA THR A 49 5.099 4.347 6.003 1.00 0.00 H new ATOM 0 HB THR A 49 4.683 3.381 8.860 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.064 5.615 9.209 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.383 5.074 9.430 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.032 3.835 8.330 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.591 5.441 7.701 1.00 0.00 H new ATOM 757 N ILE A 50 6.535 2.366 5.533 1.00 0.00 N ATOM 758 CA ILE A 50 7.481 1.282 5.303 1.00 0.00 C ATOM 759 C ILE A 50 8.797 1.538 6.030 1.00 0.00 C ATOM 760 O ILE A 50 9.467 2.542 5.790 1.00 0.00 O ATOM 761 CB ILE A 50 7.766 1.092 3.802 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.460 0.857 3.039 1.00 0.00 C ATOM 763 CG2 ILE A 50 8.727 -0.068 3.587 1.00 0.00 C ATOM 764 CD1 ILE A 50 6.637 0.814 1.537 1.00 0.00 C ATOM 0 H ILE A 50 6.532 3.084 4.808 1.00 0.00 H new ATOM 0 HA ILE A 50 7.022 0.374 5.695 1.00 0.00 H new ATOM 0 HB ILE A 50 8.232 2.000 3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.018 -0.082 3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.754 1.648 3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.918 -0.189 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.665 0.136 4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.287 -0.983 3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.671 0.644 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.050 1.762 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.318 0.005 1.274 1.00 0.00 H new ATOM 776 N LYS A 51 9.163 0.621 6.920 1.00 0.00 N ATOM 777 CA LYS A 51 10.401 0.744 7.681 1.00 0.00 C ATOM 778 C LYS A 51 11.589 0.227 6.875 1.00 0.00 C ATOM 779 O LYS A 51 11.716 -0.976 6.642 1.00 0.00 O ATOM 780 CB LYS A 51 10.292 -0.025 8.999 1.00 0.00 C ATOM 781 CG LYS A 51 9.346 0.616 10.000 1.00 0.00 C ATOM 782 CD LYS A 51 9.312 -0.156 11.309 1.00 0.00 C ATOM 783 CE LYS A 51 8.546 -1.462 11.166 1.00 0.00 C ATOM 784 NZ LYS A 51 8.175 -2.035 12.489 1.00 0.00 N ATOM 0 H LYS A 51 8.620 -0.216 7.132 1.00 0.00 H new ATOM 0 HA LYS A 51 10.563 1.800 7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.954 -1.040 8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.283 -0.104 9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.658 1.643 10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.343 0.661 9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.331 -0.364 11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.848 0.457 12.082 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.644 -1.291 10.578 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.153 -2.181 10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.654 -2.924 12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.037 -2.222 13.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.574 -1.360 13.004 1.00 0.00 H new ATOM 978 N THR A 63 12.141 0.083 -1.658 1.00 0.00 N ATOM 979 CA THR A 63 11.199 0.687 -0.725 1.00 0.00 C ATOM 980 C THR A 63 10.007 1.290 -1.460 1.00 0.00 C ATOM 981 O THR A 63 8.856 0.982 -1.151 1.00 0.00 O ATOM 982 CB THR A 63 11.872 1.783 0.123 1.00 0.00 C ATOM 983 OG1 THR A 63 13.030 1.253 0.778 1.00 0.00 O ATOM 984 CG2 THR A 63 10.906 2.335 1.160 1.00 0.00 C ATOM 0 HA THR A 63 10.852 -0.110 -0.067 1.00 0.00 H new ATOM 0 HB THR A 63 12.169 2.594 -0.542 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.440 0.565 0.213 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.404 3.107 1.746 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.039 2.763 0.658 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.582 1.530 1.820 1.00 0.00 H new ATOM 992 N GLU A 64 10.291 2.149 -2.434 1.00 0.00 N ATOM 993 CA GLU A 64 9.241 2.794 -3.212 1.00 0.00 C ATOM 994 C GLU A 64 8.417 1.761 -3.977 1.00 0.00 C ATOM 995 O GLU A 64 7.188 1.791 -3.951 1.00 0.00 O ATOM 996 CB GLU A 64 9.846 3.804 -4.189 1.00 0.00 C ATOM 997 CG GLU A 64 10.020 5.193 -3.599 1.00 0.00 C ATOM 998 CD GLU A 64 10.888 6.089 -4.461 1.00 0.00 C ATOM 999 OE1 GLU A 64 10.511 6.339 -5.625 1.00 0.00 O ATOM 1000 OE2 GLU A 64 11.944 6.542 -3.971 1.00 0.00 O ATOM 0 H GLU A 64 11.239 2.414 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 64 8.582 3.319 -2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.816 3.437 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.209 3.870 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.041 5.655 -3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.464 5.109 -2.607 1.00 0.00 H new ATOM 1007 N GLU A 65 9.106 0.850 -4.657 1.00 0.00 N ATOM 1008 CA GLU A 65 8.439 -0.191 -5.429 1.00 0.00 C ATOM 1009 C GLU A 65 7.189 -0.688 -4.708 1.00 0.00 C ATOM 1010 O GLU A 65 6.168 -0.968 -5.335 1.00 0.00 O ATOM 1011 CB GLU A 65 9.393 -1.360 -5.684 1.00 0.00 C ATOM 1012 CG GLU A 65 10.373 -1.110 -6.818 1.00 0.00 C ATOM 1013 CD GLU A 65 9.695 -1.057 -8.173 1.00 0.00 C ATOM 1014 OE1 GLU A 65 9.149 0.011 -8.522 1.00 0.00 O ATOM 1015 OE2 GLU A 65 9.710 -2.082 -8.885 1.00 0.00 O ATOM 0 H GLU A 65 10.125 0.812 -4.689 1.00 0.00 H new ATOM 0 HA GLU A 65 8.139 0.239 -6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.952 -1.568 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.809 -2.252 -5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.896 -0.170 -6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.126 -1.898 -6.823 1.00 0.00 H new ATOM 1022 N ILE A 66 7.280 -0.795 -3.386 1.00 0.00 N ATOM 1023 CA ILE A 66 6.157 -1.257 -2.579 1.00 0.00 C ATOM 1024 C ILE A 66 4.895 -0.458 -2.884 1.00 0.00 C ATOM 1025 O ILE A 66 3.905 -1.002 -3.372 1.00 0.00 O ATOM 1026 CB ILE A 66 6.467 -1.155 -1.074 1.00 0.00 C ATOM 1027 CG1 ILE A 66 7.727 -1.952 -0.734 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.283 -1.649 -0.256 1.00 0.00 C ATOM 1029 CD1 ILE A 66 7.560 -3.446 -0.900 1.00 0.00 C ATOM 0 H ILE A 66 8.119 -0.568 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 66 5.991 -2.303 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 66 6.645 -0.109 -0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.544 -1.613 -1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.015 -1.739 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.517 -1.571 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.407 -1.041 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.076 -2.689 -0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.493 -3.947 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.765 -3.798 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.302 -3.671 -1.935 1.00 0.00 H new ATOM 1041 N PHE A 67 4.938 0.838 -2.593 1.00 0.00 N ATOM 1042 CA PHE A 67 3.798 1.715 -2.837 1.00 0.00 C ATOM 1043 C PHE A 67 3.100 1.348 -4.143 1.00 0.00 C ATOM 1044 O PHE A 67 1.881 1.182 -4.182 1.00 0.00 O ATOM 1045 CB PHE A 67 4.251 3.176 -2.879 1.00 0.00 C ATOM 1046 CG PHE A 67 4.768 3.682 -1.563 1.00 0.00 C ATOM 1047 CD1 PHE A 67 3.990 3.597 -0.420 1.00 0.00 C ATOM 1048 CD2 PHE A 67 6.032 4.241 -1.470 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.464 4.063 0.792 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.511 4.708 -0.260 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.726 4.618 0.873 1.00 0.00 C ATOM 0 H PHE A 67 5.750 1.304 -2.188 1.00 0.00 H new ATOM 0 HA PHE A 67 3.090 1.586 -2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.031 3.285 -3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.414 3.799 -3.195 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.003 3.162 -0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.650 4.313 -2.353 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.847 3.993 1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.498 5.143 -0.201 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.098 4.981 1.820 1.00 0.00 H new ATOM 1061 N ASN A 68 3.881 1.225 -5.211 1.00 0.00 N ATOM 1062 CA ASN A 68 3.339 0.879 -6.519 1.00 0.00 C ATOM 1063 C ASN A 68 2.667 -0.490 -6.486 1.00 0.00 C ATOM 1064 O ASN A 68 1.464 -0.607 -6.715 1.00 0.00 O ATOM 1065 CB ASN A 68 4.448 0.890 -7.573 1.00 0.00 C ATOM 1066 CG ASN A 68 5.061 2.265 -7.754 1.00 0.00 C ATOM 1067 OD1 ASN A 68 4.595 3.245 -7.173 1.00 0.00 O ATOM 1068 ND2 ASN A 68 6.113 2.342 -8.561 1.00 0.00 N ATOM 0 H ASN A 68 4.892 1.360 -5.196 1.00 0.00 H new ATOM 0 HA ASN A 68 2.589 1.625 -6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.226 0.183 -7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.044 0.547 -8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.569 3.240 -8.720 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.465 1.503 -9.022 1.00 0.00 H new ATOM 1075 N GLN A 69 3.453 -1.522 -6.197 1.00 0.00 N ATOM 1076 CA GLN A 69 2.934 -2.883 -6.133 1.00 0.00 C ATOM 1077 C GLN A 69 1.554 -2.909 -5.485 1.00 0.00 C ATOM 1078 O GLN A 69 0.576 -3.334 -6.102 1.00 0.00 O ATOM 1079 CB GLN A 69 3.894 -3.782 -5.352 1.00 0.00 C ATOM 1080 CG GLN A 69 5.205 -4.045 -6.075 1.00 0.00 C ATOM 1081 CD GLN A 69 5.155 -5.291 -6.938 1.00 0.00 C ATOM 1082 OE1 GLN A 69 4.310 -5.412 -7.825 1.00 0.00 O ATOM 1083 NE2 GLN A 69 6.064 -6.225 -6.683 1.00 0.00 N ATOM 0 H GLN A 69 4.451 -1.442 -6.004 1.00 0.00 H new ATOM 0 HA GLN A 69 2.844 -3.259 -7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.107 -3.321 -4.387 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.403 -4.734 -5.149 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.451 -3.185 -6.698 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.006 -4.147 -5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.746 -6.083 -5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.080 -7.084 -7.232 1.00 0.00 H new ATOM 1092 N ILE A 70 1.482 -2.454 -4.239 1.00 0.00 N ATOM 1093 CA ILE A 70 0.221 -2.425 -3.508 1.00 0.00 C ATOM 1094 C ILE A 70 -0.857 -1.691 -4.300 1.00 0.00 C ATOM 1095 O ILE A 70 -2.031 -2.062 -4.263 1.00 0.00 O ATOM 1096 CB ILE A 70 0.382 -1.748 -2.134 1.00 0.00 C ATOM 1097 CG1 ILE A 70 1.410 -2.502 -1.288 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -0.958 -1.682 -1.416 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.723 -1.825 0.028 1.00 0.00 C ATOM 0 H ILE A 70 2.282 -2.100 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.082 -3.462 -3.360 1.00 0.00 H new ATOM 0 HB ILE A 70 0.741 -0.730 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.039 -3.508 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.331 -2.609 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.828 -1.201 -0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.664 -1.106 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.343 -2.691 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.459 -2.415 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.124 -0.829 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.812 -1.742 0.620 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.450 -0.649 -5.017 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.380 0.137 -5.821 1.00 0.00 C ATOM 1113 C LEU A 71 -1.886 -0.670 -7.012 1.00 0.00 C ATOM 1114 O LEU A 71 -2.993 -0.445 -7.501 1.00 0.00 O ATOM 1115 CB LEU A 71 -0.705 1.420 -6.308 1.00 0.00 C ATOM 1116 CG LEU A 71 -1.622 2.454 -6.962 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.322 3.292 -5.903 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -0.833 3.343 -7.912 1.00 0.00 C ATOM 0 H LEU A 71 0.518 -0.329 -5.058 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.233 0.398 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.208 1.890 -5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.072 1.149 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.381 1.925 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.970 4.022 -6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.920 2.644 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.578 3.811 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.502 4.073 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.052 3.864 -7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.379 2.730 -8.691 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.068 -1.611 -7.473 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.434 -2.452 -8.607 1.00 0.00 C ATOM 1132 C GLN A 72 -2.654 -3.307 -8.279 1.00 0.00 C ATOM 1133 O GLN A 72 -3.199 -3.989 -9.147 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.260 -3.348 -9.005 1.00 0.00 C ATOM 1135 CG GLN A 72 0.995 -2.576 -9.378 1.00 0.00 C ATOM 1136 CD GLN A 72 2.041 -3.449 -10.042 1.00 0.00 C ATOM 1137 OE1 GLN A 72 2.407 -4.504 -9.523 1.00 0.00 O ATOM 1138 NE2 GLN A 72 2.529 -3.013 -11.198 1.00 0.00 N ATOM 0 H GLN A 72 -0.148 -1.810 -7.079 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.684 -1.801 -9.444 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.031 -4.021 -8.179 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.558 -3.970 -9.849 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.729 -1.760 -10.050 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.420 -2.125 -8.481 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.197 -2.133 -11.592 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.236 -3.559 -11.692 1.00 0.00 H new ATOM 1147 N THR A 73 -3.077 -3.267 -7.019 1.00 0.00 N ATOM 1148 CA THR A 73 -4.230 -4.040 -6.576 1.00 0.00 C ATOM 1149 C THR A 73 -5.496 -3.190 -6.580 1.00 0.00 C ATOM 1150 O THR A 73 -6.599 -3.703 -6.767 1.00 0.00 O ATOM 1151 CB THR A 73 -4.014 -4.611 -5.161 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.376 -3.635 -4.178 1.00 0.00 O ATOM 1153 CG2 THR A 73 -2.564 -5.026 -4.961 1.00 0.00 C ATOM 0 H THR A 73 -2.638 -2.707 -6.288 1.00 0.00 H new ATOM 0 HA THR A 73 -4.346 -4.865 -7.279 1.00 0.00 H new ATOM 0 HB THR A 73 -4.647 -5.491 -5.048 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.647 -2.988 -4.076 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.435 -5.426 -3.955 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.300 -5.790 -5.692 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.916 -4.159 -5.092 1.00 0.00 H new ATOM 1161 N MET A 74 -5.329 -1.887 -6.374 1.00 0.00 N ATOM 1162 CA MET A 74 -6.459 -0.966 -6.356 1.00 0.00 C ATOM 1163 C MET A 74 -6.221 0.204 -7.305 1.00 0.00 C ATOM 1164 O MET A 74 -6.462 1.365 -6.970 1.00 0.00 O ATOM 1165 CB MET A 74 -6.699 -0.447 -4.937 1.00 0.00 C ATOM 1166 CG MET A 74 -5.422 -0.261 -4.134 1.00 0.00 C ATOM 1167 SD MET A 74 -5.740 0.195 -2.419 1.00 0.00 S ATOM 1168 CE MET A 74 -4.911 -1.138 -1.555 1.00 0.00 C ATOM 0 H MET A 74 -4.423 -1.446 -6.217 1.00 0.00 H new ATOM 0 HA MET A 74 -7.343 -1.508 -6.691 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.226 0.506 -4.992 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.352 -1.143 -4.410 1.00 0.00 H new ATOM 0 HG2 MET A 74 -4.844 -1.185 -4.159 1.00 0.00 H new ATOM 0 HG3 MET A 74 -4.811 0.510 -4.604 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.371 -1.280 -0.577 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.999 -2.057 -2.134 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.857 -0.889 -1.427 1.00 0.00 H new ATOM 1178 N PRO A 75 -5.737 -0.104 -8.517 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.456 0.909 -9.539 1.00 0.00 C ATOM 1180 C PRO A 75 -6.729 1.536 -10.098 1.00 0.00 C ATOM 1181 O PRO A 75 -6.672 2.461 -10.909 1.00 0.00 O ATOM 1182 CB PRO A 75 -4.725 0.121 -10.628 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.192 -1.284 -10.458 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.427 -1.466 -8.984 1.00 0.00 C ATOM 0 HA PRO A 75 -4.880 1.743 -9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.966 0.501 -11.621 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.644 0.195 -10.512 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.106 -1.463 -11.024 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.447 -1.990 -10.825 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.250 -2.154 -8.790 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.548 -1.872 -8.484 1.00 0.00 H new ATOM 1192 N ASP A 76 -7.875 1.028 -9.660 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.162 1.539 -10.116 1.00 0.00 C ATOM 1194 C ASP A 76 -10.079 1.837 -8.934 1.00 0.00 C ATOM 1195 O ASP A 76 -11.186 2.348 -9.107 1.00 0.00 O ATOM 1196 CB ASP A 76 -9.831 0.534 -11.056 1.00 0.00 C ATOM 1197 CG ASP A 76 -9.086 0.384 -12.368 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -8.379 1.336 -12.761 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -9.209 -0.685 -13.000 1.00 0.00 O ATOM 0 H ASP A 76 -7.939 0.262 -8.989 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.984 2.468 -10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.891 -0.436 -10.563 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.854 0.854 -11.257 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.612 1.511 -7.733 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.390 1.744 -6.523 1.00 0.00 C ATOM 1206 C ILE A 77 -9.645 2.660 -5.558 1.00 0.00 C ATOM 1207 O ILE A 77 -10.245 3.256 -4.664 1.00 0.00 O ATOM 1208 CB ILE A 77 -10.722 0.422 -5.805 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -10.902 0.663 -4.305 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -9.629 -0.606 -6.055 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.277 -0.584 -3.534 1.00 0.00 C ATOM 0 H ILE A 77 -8.699 1.085 -7.572 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.318 2.224 -6.832 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.658 0.033 -6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.976 1.068 -3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.674 1.418 -4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.878 -1.534 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.545 -0.795 -7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.679 -0.226 -5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.388 -0.339 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.218 -0.979 -3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.495 -1.334 -3.652 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.334 2.768 -5.747 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.507 3.615 -4.896 1.00 0.00 C ATOM 1225 C ALA A 78 -6.501 4.409 -5.723 1.00 0.00 C ATOM 1226 O ALA A 78 -6.179 4.039 -6.852 1.00 0.00 O ATOM 1227 CB ALA A 78 -6.787 2.773 -3.853 1.00 0.00 C ATOM 0 H ALA A 78 -7.822 2.280 -6.482 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.160 4.324 -4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.173 3.419 -3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.520 2.255 -3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.151 2.041 -4.352 1.00 0.00 H new ATOM 1233 N THR A 79 -6.008 5.505 -5.154 1.00 0.00 N ATOM 1234 CA THR A 79 -5.041 6.353 -5.839 1.00 0.00 C ATOM 1235 C THR A 79 -4.125 7.056 -4.844 1.00 0.00 C ATOM 1236 O THR A 79 -4.492 7.267 -3.688 1.00 0.00 O ATOM 1237 CB THR A 79 -5.741 7.411 -6.712 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.769 8.144 -7.466 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.554 8.369 -5.855 1.00 0.00 C ATOM 0 H THR A 79 -6.263 5.826 -4.220 1.00 0.00 H new ATOM 0 HA THR A 79 -4.446 5.701 -6.479 1.00 0.00 H new ATOM 0 HB THR A 79 -6.418 6.897 -7.395 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.222 8.814 -8.020 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.039 9.107 -6.494 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.312 7.811 -5.305 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.895 8.876 -5.151 1.00 0.00 H new ATOM 1247 N PHE A 80 -2.930 7.418 -5.301 1.00 0.00 N ATOM 1248 CA PHE A 80 -1.961 8.098 -4.450 1.00 0.00 C ATOM 1249 C PHE A 80 -2.569 9.352 -3.827 1.00 0.00 C ATOM 1250 O PHE A 80 -2.793 10.351 -4.511 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.714 8.469 -5.256 1.00 0.00 C ATOM 1252 CG PHE A 80 0.364 7.424 -5.208 1.00 0.00 C ATOM 1253 CD1 PHE A 80 1.207 7.330 -4.112 1.00 0.00 C ATOM 1254 CD2 PHE A 80 0.534 6.536 -6.258 1.00 0.00 C ATOM 1255 CE1 PHE A 80 2.199 6.369 -4.064 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.524 5.573 -6.215 1.00 0.00 C ATOM 1257 CZ PHE A 80 2.359 5.490 -5.118 1.00 0.00 C ATOM 0 H PHE A 80 -2.610 7.252 -6.255 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.678 7.416 -3.648 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.999 8.638 -6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.314 9.410 -4.878 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.087 8.016 -3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -0.114 6.597 -7.120 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.849 6.305 -3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.645 4.885 -7.039 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.135 4.740 -5.084 1.00 0.00 H new ATOM 1267 N SER A 81 -2.833 9.291 -2.526 1.00 0.00 N ATOM 1268 CA SER A 81 -3.419 10.419 -1.811 1.00 0.00 C ATOM 1269 C SER A 81 -2.343 11.420 -1.402 1.00 0.00 C ATOM 1270 O SER A 81 -2.448 12.613 -1.689 1.00 0.00 O ATOM 1271 CB SER A 81 -4.173 9.929 -0.574 1.00 0.00 C ATOM 1272 OG SER A 81 -4.280 10.955 0.397 1.00 0.00 O ATOM 0 H SER A 81 -2.650 8.473 -1.945 1.00 0.00 H new ATOM 0 HA SER A 81 -4.120 10.918 -2.480 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.168 9.591 -0.861 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.656 9.071 -0.145 1.00 0.00 H new ATOM 0 HG SER A 81 -4.767 10.617 1.177 1.00 0.00 H new ATOM 1278 N SER A 82 -1.309 10.926 -0.729 1.00 0.00 N ATOM 1279 CA SER A 82 -0.215 11.777 -0.276 1.00 0.00 C ATOM 1280 C SER A 82 1.128 11.243 -0.766 1.00 0.00 C ATOM 1281 O SER A 82 1.670 10.290 -0.208 1.00 0.00 O ATOM 1282 CB SER A 82 -0.212 11.871 1.251 1.00 0.00 C ATOM 1283 OG SER A 82 -1.070 12.906 1.700 1.00 0.00 O ATOM 0 H SER A 82 -1.206 9.941 -0.485 1.00 0.00 H new ATOM 0 HA SER A 82 -0.365 12.772 -0.694 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.530 10.920 1.678 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.802 12.056 1.605 1.00 0.00 H new ATOM 0 HG SER A 82 -1.052 12.944 2.679 1.00 0.00 H new ATOM 1289 N ARG A 83 1.658 11.866 -1.814 1.00 0.00 N ATOM 1290 CA ARG A 83 2.936 11.454 -2.381 1.00 0.00 C ATOM 1291 C ARG A 83 3.876 10.947 -1.292 1.00 0.00 C ATOM 1292 O ARG A 83 3.970 11.517 -0.204 1.00 0.00 O ATOM 1293 CB ARG A 83 3.586 12.619 -3.129 1.00 0.00 C ATOM 1294 CG ARG A 83 3.041 12.821 -4.534 1.00 0.00 C ATOM 1295 CD ARG A 83 1.641 13.415 -4.508 1.00 0.00 C ATOM 1296 NE ARG A 83 1.356 14.200 -5.706 1.00 0.00 N ATOM 1297 CZ ARG A 83 1.720 15.468 -5.857 1.00 0.00 C ATOM 1298 NH1 ARG A 83 2.379 16.092 -4.890 1.00 0.00 N ATOM 1299 NH2 ARG A 83 1.425 16.116 -6.977 1.00 0.00 N ATOM 0 H ARG A 83 1.222 12.658 -2.287 1.00 0.00 H new ATOM 0 HA ARG A 83 2.748 10.641 -3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.439 13.535 -2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.661 12.448 -3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.706 13.479 -5.093 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.023 11.866 -5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.909 12.613 -4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.532 14.047 -3.626 1.00 0.00 H new ATOM 0 HE ARG A 83 0.850 13.750 -6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.608 15.598 -4.027 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.657 17.066 -5.009 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.918 15.640 -7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.705 17.090 -7.092 1.00 0.00 H new ATOM 1313 N PRO A 84 4.590 9.851 -1.588 1.00 0.00 N ATOM 1314 CA PRO A 84 5.535 9.243 -0.647 1.00 0.00 C ATOM 1315 C PRO A 84 6.772 10.108 -0.428 1.00 0.00 C ATOM 1316 O PRO A 84 7.627 10.220 -1.307 1.00 0.00 O ATOM 1317 CB PRO A 84 5.917 7.927 -1.328 1.00 0.00 C ATOM 1318 CG PRO A 84 5.693 8.172 -2.780 1.00 0.00 C ATOM 1319 CD PRO A 84 4.528 9.120 -2.865 1.00 0.00 C ATOM 0 HA PRO A 84 5.098 9.115 0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.955 7.664 -1.127 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.303 7.102 -0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.580 8.602 -3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.478 7.241 -3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.618 9.793 -3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.584 8.587 -2.978 1.00 0.00 H new ATOM 1327 N LYS A 85 6.861 10.718 0.749 1.00 0.00 N ATOM 1328 CA LYS A 85 7.995 11.572 1.084 1.00 0.00 C ATOM 1329 C LYS A 85 8.990 10.832 1.971 1.00 0.00 C ATOM 1330 O LYS A 85 8.684 9.768 2.510 1.00 0.00 O ATOM 1331 CB LYS A 85 7.512 12.841 1.790 1.00 0.00 C ATOM 1332 CG LYS A 85 7.001 12.596 3.200 1.00 0.00 C ATOM 1333 CD LYS A 85 5.939 13.610 3.592 1.00 0.00 C ATOM 1334 CE LYS A 85 5.726 13.640 5.097 1.00 0.00 C ATOM 1335 NZ LYS A 85 4.914 14.815 5.520 1.00 0.00 N ATOM 0 H LYS A 85 6.162 10.637 1.487 1.00 0.00 H new ATOM 0 HA LYS A 85 8.497 11.848 0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.331 13.559 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.717 13.296 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.588 11.590 3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.832 12.648 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.234 14.600 3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.000 13.366 3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.228 12.723 5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.693 13.667 5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.792 14.799 6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.401 15.691 5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.982 14.776 5.060 1.00 0.00 H new ATOM 1349 N ALA A 86 10.181 11.402 2.120 1.00 0.00 N ATOM 1350 CA ALA A 86 11.220 10.797 2.945 1.00 0.00 C ATOM 1351 C ALA A 86 11.035 11.161 4.414 1.00 0.00 C ATOM 1352 O ALA A 86 11.111 12.332 4.788 1.00 0.00 O ATOM 1353 CB ALA A 86 12.596 11.229 2.461 1.00 0.00 C ATOM 0 H ALA A 86 10.451 12.282 1.680 1.00 0.00 H new ATOM 0 HA ALA A 86 11.138 9.714 2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.362 10.770 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.734 10.913 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.679 12.314 2.523 1.00 0.00 H new ATOM 1359 N ILE A 87 10.792 10.151 5.243 1.00 0.00 N ATOM 1360 CA ILE A 87 10.597 10.366 6.672 1.00 0.00 C ATOM 1361 C ILE A 87 11.590 9.548 7.491 1.00 0.00 C ATOM 1362 O ILE A 87 12.318 8.715 6.951 1.00 0.00 O ATOM 1363 CB ILE A 87 9.166 10.000 7.106 1.00 0.00 C ATOM 1364 CG1 ILE A 87 8.941 8.492 6.978 1.00 0.00 C ATOM 1365 CG2 ILE A 87 8.148 10.765 6.274 1.00 0.00 C ATOM 1366 CD1 ILE A 87 7.843 7.966 7.875 1.00 0.00 C ATOM 0 H ILE A 87 10.725 9.176 4.950 1.00 0.00 H new ATOM 0 HA ILE A 87 10.764 11.427 6.857 1.00 0.00 H new ATOM 0 HB ILE A 87 9.036 10.281 8.151 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.697 8.256 5.942 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.870 7.973 7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.141 10.495 6.593 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.297 11.836 6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.275 10.513 5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.740 6.891 7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.094 8.170 8.916 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.903 8.458 7.626 1.00 0.00 H new ATOM 1378 N ARG A 88 11.612 9.791 8.798 1.00 0.00 N ATOM 1379 CA ARG A 88 12.515 9.077 9.692 1.00 0.00 C ATOM 1380 C ARG A 88 13.968 9.439 9.401 1.00 0.00 C ATOM 1381 O ARG A 88 14.859 8.595 9.490 1.00 0.00 O ATOM 1382 CB ARG A 88 12.317 7.567 9.552 1.00 0.00 C ATOM 1383 CG ARG A 88 10.875 7.122 9.735 1.00 0.00 C ATOM 1384 CD ARG A 88 10.468 7.137 11.201 1.00 0.00 C ATOM 1385 NE ARG A 88 10.841 5.902 11.885 1.00 0.00 N ATOM 1386 CZ ARG A 88 11.997 5.731 12.516 1.00 0.00 C ATOM 1387 NH1 ARG A 88 12.889 6.712 12.549 1.00 0.00 N ATOM 1388 NH2 ARG A 88 12.264 4.578 13.115 1.00 0.00 N ATOM 0 H ARG A 88 11.015 10.477 9.261 1.00 0.00 H new ATOM 0 HA ARG A 88 12.283 9.374 10.715 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.663 7.254 8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.941 7.058 10.286 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.216 7.778 9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.749 6.117 9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.939 7.984 11.699 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.390 7.282 11.277 1.00 0.00 H new ATOM 0 HE ARG A 88 10.177 5.128 11.878 1.00 0.00 H new ATOM 0 HH11 ARG A 88 12.688 7.600 12.089 1.00 0.00 H new ATOM 0 HH12 ARG A 88 13.776 6.578 13.034 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.581 3.821 13.091 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.152 4.449 13.599 1.00 0.00 H new ATOM 1402 N GLY A 89 14.200 10.701 9.052 1.00 0.00 N ATOM 1403 CA GLY A 89 15.546 11.153 8.752 1.00 0.00 C ATOM 1404 C GLY A 89 16.030 10.673 7.398 1.00 0.00 C ATOM 1405 O GLY A 89 17.208 10.363 7.226 1.00 0.00 O ATOM 0 H GLY A 89 13.479 11.418 8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.575 12.242 8.780 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.227 10.796 9.525 1.00 0.00 H new ATOM 1409 N GLY A 90 15.118 10.611 6.432 1.00 0.00 N ATOM 1410 CA GLY A 90 15.477 10.163 5.100 1.00 0.00 C ATOM 1411 C GLY A 90 15.829 8.690 5.058 1.00 0.00 C ATOM 1412 O GLY A 90 16.777 8.288 4.383 1.00 0.00 O ATOM 0 H GLY A 90 14.137 10.863 6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.647 10.354 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 90 16.325 10.746 4.740 1.00 0.00 H new ATOM 1416 N THR A 91 15.064 7.879 5.784 1.00 0.00 N ATOM 1417 CA THR A 91 15.301 6.442 5.830 1.00 0.00 C ATOM 1418 C THR A 91 14.051 5.666 5.434 1.00 0.00 C ATOM 1419 O THR A 91 14.100 4.790 4.571 1.00 0.00 O ATOM 1420 CB THR A 91 15.749 5.992 7.233 1.00 0.00 C ATOM 1421 OG1 THR A 91 17.021 6.567 7.550 1.00 0.00 O ATOM 1422 CG2 THR A 91 15.840 4.475 7.311 1.00 0.00 C ATOM 0 H THR A 91 14.275 8.194 6.348 1.00 0.00 H new ATOM 0 HA THR A 91 16.098 6.229 5.117 1.00 0.00 H new ATOM 0 HB THR A 91 15.006 6.334 7.954 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.297 6.277 8.444 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.158 4.181 8.311 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.863 4.040 7.098 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.564 4.116 6.580 1.00 0.00 H new ATOM 1430 N ALA A 92 12.931 5.992 6.070 1.00 0.00 N ATOM 1431 CA ALA A 92 11.667 5.327 5.782 1.00 0.00 C ATOM 1432 C ALA A 92 10.748 6.225 4.960 1.00 0.00 C ATOM 1433 O ALA A 92 10.832 7.450 5.036 1.00 0.00 O ATOM 1434 CB ALA A 92 10.982 4.911 7.076 1.00 0.00 C ATOM 0 H ALA A 92 12.874 6.713 6.789 1.00 0.00 H new ATOM 0 HA ALA A 92 11.881 4.435 5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 92 10.039 4.415 6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.627 4.225 7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.788 5.794 7.685 1.00 0.00 H new ATOM 1440 N SER A 93 9.873 5.607 4.174 1.00 0.00 N ATOM 1441 CA SER A 93 8.941 6.351 3.334 1.00 0.00 C ATOM 1442 C SER A 93 7.511 6.198 3.842 1.00 0.00 C ATOM 1443 O SER A 93 7.098 5.113 4.250 1.00 0.00 O ATOM 1444 CB SER A 93 9.034 5.871 1.884 1.00 0.00 C ATOM 1445 OG SER A 93 10.360 5.975 1.397 1.00 0.00 O ATOM 0 H SER A 93 9.790 4.593 4.101 1.00 0.00 H new ATOM 0 HA SER A 93 9.212 7.406 3.378 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.699 4.836 1.818 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.366 6.463 1.258 1.00 0.00 H new ATOM 0 HG SER A 93 10.393 5.661 0.469 1.00 0.00 H new ATOM 1451 N MET A 94 6.759 7.294 3.813 1.00 0.00 N ATOM 1452 CA MET A 94 5.374 7.282 4.269 1.00 0.00 C ATOM 1453 C MET A 94 4.444 7.838 3.196 1.00 0.00 C ATOM 1454 O MET A 94 4.804 8.763 2.466 1.00 0.00 O ATOM 1455 CB MET A 94 5.231 8.098 5.556 1.00 0.00 C ATOM 1456 CG MET A 94 4.063 7.662 6.425 1.00 0.00 C ATOM 1457 SD MET A 94 2.470 8.188 5.763 1.00 0.00 S ATOM 1458 CE MET A 94 2.594 9.964 5.955 1.00 0.00 C ATOM 0 H MET A 94 7.085 8.201 3.479 1.00 0.00 H new ATOM 0 HA MET A 94 5.093 6.248 4.469 1.00 0.00 H new ATOM 0 HB2 MET A 94 6.152 8.016 6.132 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.108 9.150 5.298 1.00 0.00 H new ATOM 0 HG2 MET A 94 4.072 6.576 6.520 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.188 8.071 7.427 1.00 0.00 H new ATOM 0 HE1 MET A 94 1.594 10.397 5.988 1.00 0.00 H new ATOM 0 HE2 MET A 94 3.119 10.194 6.882 1.00 0.00 H new ATOM 0 HE3 MET A 94 3.144 10.384 5.113 1.00 0.00 H new ATOM 1468 N CYS A 95 3.247 7.269 3.104 1.00 0.00 N ATOM 1469 CA CYS A 95 2.265 7.707 2.118 1.00 0.00 C ATOM 1470 C CYS A 95 0.857 7.290 2.531 1.00 0.00 C ATOM 1471 O CYS A 95 0.681 6.401 3.364 1.00 0.00 O ATOM 1472 CB CYS A 95 2.600 7.129 0.743 1.00 0.00 C ATOM 1473 SG CYS A 95 1.899 5.489 0.441 1.00 0.00 S ATOM 0 H CYS A 95 2.933 6.503 3.700 1.00 0.00 H new ATOM 0 HA CYS A 95 2.300 8.795 2.064 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.239 7.814 -0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.684 7.074 0.638 1.00 0.00 H new ATOM 0 HG CYS A 95 2.833 4.591 0.551 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.143 7.939 1.942 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.536 7.635 2.249 1.00 0.00 C ATOM 1481 C VAL A 96 -2.303 7.248 0.990 1.00 0.00 C ATOM 1482 O VAL A 96 -1.918 7.610 -0.122 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.237 8.833 2.916 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.655 8.462 3.325 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.437 9.319 4.115 1.00 0.00 C ATOM 0 H VAL A 96 -0.015 8.678 1.250 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.532 6.794 2.942 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.294 9.647 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.135 9.321 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.223 8.167 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.625 7.632 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.947 10.166 4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.346 8.513 4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.444 9.627 3.789 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.393 6.508 1.172 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.215 6.070 0.050 1.00 0.00 C ATOM 1497 C PHE A 97 -5.656 6.544 0.215 1.00 0.00 C ATOM 1498 O PHE A 97 -6.170 6.626 1.330 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.179 4.545 -0.072 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.856 4.013 -0.543 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.813 3.821 0.349 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.655 3.704 -1.879 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.595 3.333 -0.083 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -1.439 3.214 -2.317 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.408 3.027 -1.417 1.00 0.00 C ATOM 0 H PHE A 97 -3.727 6.200 2.085 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.808 6.510 -0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.414 4.105 0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.958 4.225 -0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.954 4.056 1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.458 3.848 -2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.211 3.191 0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.295 2.978 -3.361 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.543 2.642 -1.756 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.302 6.856 -0.904 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.683 7.324 -0.885 1.00 0.00 C ATOM 1517 C ARG A 98 -8.485 6.698 -2.022 1.00 0.00 C ATOM 1518 O ARG A 98 -7.919 6.108 -2.943 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.728 8.849 -0.993 1.00 0.00 C ATOM 1520 CG ARG A 98 -7.316 9.375 -2.358 1.00 0.00 C ATOM 1521 CD ARG A 98 -7.026 10.867 -2.315 1.00 0.00 C ATOM 1522 NE ARG A 98 -8.221 11.665 -2.577 1.00 0.00 N ATOM 1523 CZ ARG A 98 -8.251 12.991 -2.499 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -7.157 13.664 -2.169 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -9.377 13.646 -2.752 1.00 0.00 N ATOM 0 H ARG A 98 -5.891 6.793 -1.835 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.131 7.020 0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.739 9.191 -0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.073 9.278 -0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.431 8.841 -2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.109 9.178 -3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.622 11.130 -1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.260 11.109 -3.052 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.079 11.178 -2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.290 13.164 -1.974 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.183 14.682 -2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.220 13.131 -3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.399 14.664 -2.692 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.805 6.831 -1.951 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.685 6.279 -2.975 1.00 0.00 C ATOM 1541 C HIS A 99 -10.843 7.253 -4.139 1.00 0.00 C ATOM 1542 O HIS A 99 -11.060 8.448 -3.937 1.00 0.00 O ATOM 1543 CB HIS A 99 -12.055 5.954 -2.379 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.901 5.087 -3.259 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -13.127 5.360 -4.592 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.577 3.945 -2.992 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -13.906 4.425 -5.105 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -14.193 3.554 -4.155 1.00 0.00 N ATOM 0 H HIS A 99 -10.289 7.316 -1.195 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.233 5.361 -3.351 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.916 5.457 -1.419 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.586 6.885 -2.182 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -13.623 3.436 -2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -14.250 4.380 -6.128 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.777 2.725 -4.267 1.00 0.00 H new