USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 668 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 59 LYS NZ :NH3+ -128:sc= 0.0478 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.153 USER MOD Set 2.1: A 43 TYR OH : rot 71:sc= 0.0101 USER MOD Set 2.2: A 64 MET CE :methyl -150:sc= -0.075 (180deg=-1.1) USER MOD Set 2.3: A 80 GLN : amide:sc= 0.0314 X(o=-0.033,f=-0.37) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.812 K(o=0.81,f=-3.6!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.708 K(o=0.71,f=0) USER MOD Single : A 78 MET CE :methyl 166:sc= -0.0276 (180deg=-0.507) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= 1.14 (180deg=0.908) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 -5.147 4.697 -22.582 1.00 0.00 N ATOM 175 CA LEU A 14 -5.803 5.218 -23.786 1.00 0.00 C ATOM 176 C LEU A 14 -6.982 6.142 -23.431 1.00 0.00 C ATOM 177 O LEU A 14 -7.433 6.918 -24.278 1.00 0.00 O ATOM 178 CB LEU A 14 -6.314 4.011 -24.588 1.00 0.00 C ATOM 179 CG LEU A 14 -5.209 3.007 -24.997 1.00 0.00 C ATOM 180 CD1 LEU A 14 -5.780 1.589 -24.900 1.00 0.00 C ATOM 181 CD2 LEU A 14 -4.682 3.303 -26.406 1.00 0.00 C ATOM 0 HA LEU A 14 -5.092 5.808 -24.364 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.064 3.487 -23.996 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.813 4.372 -25.488 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.360 3.103 -24.321 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.014 0.868 -25.185 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.098 1.394 -23.876 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.635 1.494 -25.570 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.907 2.581 -26.664 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.500 3.230 -27.123 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.264 4.309 -26.434 1.00 0.00 H new ATOM 193 N LEU A 15 -7.492 6.042 -22.196 1.00 0.00 N ATOM 194 CA LEU A 15 -8.664 6.784 -21.709 1.00 0.00 C ATOM 195 C LEU A 15 -8.339 8.234 -21.307 1.00 0.00 C ATOM 196 O LEU A 15 -7.209 8.712 -21.404 1.00 0.00 O ATOM 197 CB LEU A 15 -9.339 6.039 -20.534 1.00 0.00 C ATOM 198 CG LEU A 15 -9.564 4.522 -20.705 1.00 0.00 C ATOM 199 CD1 LEU A 15 -10.329 3.991 -19.483 1.00 0.00 C ATOM 200 CD2 LEU A 15 -10.332 4.180 -21.990 1.00 0.00 C ATOM 0 H LEU A 15 -7.090 5.426 -21.489 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.359 6.838 -22.547 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.732 6.193 -19.642 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.306 6.506 -20.347 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.587 4.046 -20.785 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.493 2.919 -19.594 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.747 4.177 -18.580 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.290 4.499 -19.406 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.462 3.100 -22.060 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.309 4.663 -21.969 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.771 4.534 -22.855 1.00 0.00 H new ATOM 212 N SER A 16 -9.363 8.928 -20.821 1.00 0.00 N ATOM 213 CA SER A 16 -9.324 10.302 -20.334 1.00 0.00 C ATOM 214 C SER A 16 -9.134 10.375 -18.805 1.00 0.00 C ATOM 215 O SER A 16 -9.511 9.440 -18.088 1.00 0.00 O ATOM 216 CB SER A 16 -10.657 10.949 -20.721 1.00 0.00 C ATOM 217 OG SER A 16 -10.664 11.382 -22.074 1.00 0.00 O ATOM 0 H SER A 16 -10.296 8.523 -20.753 1.00 0.00 H new ATOM 0 HA SER A 16 -8.474 10.821 -20.778 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.466 10.235 -20.564 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.851 11.799 -20.067 1.00 0.00 H new ATOM 0 HG SER A 16 -11.531 11.787 -22.283 1.00 0.00 H new ATOM 223 N PRO A 17 -8.636 11.513 -18.279 1.00 0.00 N ATOM 224 CA PRO A 17 -8.413 11.727 -16.849 1.00 0.00 C ATOM 225 C PRO A 17 -9.699 11.648 -16.016 1.00 0.00 C ATOM 226 O PRO A 17 -9.638 11.319 -14.835 1.00 0.00 O ATOM 227 CB PRO A 17 -7.753 13.108 -16.745 1.00 0.00 C ATOM 228 CG PRO A 17 -8.260 13.839 -17.988 1.00 0.00 C ATOM 229 CD PRO A 17 -8.335 12.725 -19.025 1.00 0.00 C ATOM 0 HA PRO A 17 -7.784 10.938 -16.437 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.043 13.624 -15.830 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.666 13.034 -16.738 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.233 14.300 -17.818 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.580 14.634 -18.296 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.108 12.931 -19.766 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.393 12.629 -19.565 1.00 0.00 H new ATOM 237 N GLU A 18 -10.862 11.889 -16.632 1.00 0.00 N ATOM 238 CA GLU A 18 -12.179 11.806 -15.986 1.00 0.00 C ATOM 239 C GLU A 18 -12.791 10.391 -16.005 1.00 0.00 C ATOM 240 O GLU A 18 -13.767 10.145 -15.300 1.00 0.00 O ATOM 241 CB GLU A 18 -13.131 12.854 -16.590 1.00 0.00 C ATOM 242 CG GLU A 18 -13.419 12.659 -18.086 1.00 0.00 C ATOM 243 CD GLU A 18 -14.390 13.733 -18.599 1.00 0.00 C ATOM 244 OE1 GLU A 18 -13.926 14.808 -19.051 1.00 0.00 O ATOM 245 OE2 GLU A 18 -15.624 13.512 -18.559 1.00 0.00 O ATOM 0 H GLU A 18 -10.916 12.153 -17.616 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.030 12.032 -14.930 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.074 12.828 -16.044 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.703 13.845 -16.441 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.487 12.706 -18.649 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.843 11.669 -18.253 1.00 0.00 H new ATOM 252 N GLU A 19 -12.224 9.452 -16.773 1.00 0.00 N ATOM 253 CA GLU A 19 -12.642 8.044 -16.815 1.00 0.00 C ATOM 254 C GLU A 19 -11.947 7.229 -15.720 1.00 0.00 C ATOM 255 O GLU A 19 -12.585 6.529 -14.935 1.00 0.00 O ATOM 256 CB GLU A 19 -12.282 7.437 -18.181 1.00 0.00 C ATOM 257 CG GLU A 19 -13.232 7.834 -19.311 1.00 0.00 C ATOM 258 CD GLU A 19 -14.630 7.217 -19.152 1.00 0.00 C ATOM 259 OE1 GLU A 19 -14.781 5.990 -19.356 1.00 0.00 O ATOM 260 OE2 GLU A 19 -15.594 7.959 -18.846 1.00 0.00 O ATOM 0 H GLU A 19 -11.443 9.655 -17.397 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.720 8.009 -16.654 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.270 7.743 -18.447 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.274 6.351 -18.093 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.320 8.920 -19.342 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.807 7.521 -20.265 1.00 0.00 H new ATOM 267 N LEU A 20 -10.620 7.343 -15.664 1.00 0.00 N ATOM 268 CA LEU A 20 -9.731 6.607 -14.757 1.00 0.00 C ATOM 269 C LEU A 20 -10.045 6.941 -13.294 1.00 0.00 C ATOM 270 O LEU A 20 -10.235 6.054 -12.458 1.00 0.00 O ATOM 271 CB LEU A 20 -8.279 7.003 -15.085 1.00 0.00 C ATOM 272 CG LEU A 20 -7.877 6.810 -16.564 1.00 0.00 C ATOM 273 CD1 LEU A 20 -6.848 7.882 -16.931 1.00 0.00 C ATOM 274 CD2 LEU A 20 -7.366 5.388 -16.820 1.00 0.00 C ATOM 0 H LEU A 20 -10.110 7.979 -16.276 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.876 5.535 -14.892 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.132 8.049 -14.816 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.606 6.416 -14.460 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.748 6.930 -17.208 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.552 7.761 -17.973 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.286 8.870 -16.791 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.972 7.779 -16.291 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.091 5.284 -17.870 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.493 5.197 -16.196 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.150 4.670 -16.577 1.00 0.00 H new ATOM 286 N LYS A 21 -10.162 8.238 -12.999 1.00 0.00 N ATOM 287 CA LYS A 21 -10.543 8.718 -11.664 1.00 0.00 C ATOM 288 C LYS A 21 -11.982 8.314 -11.285 1.00 0.00 C ATOM 289 O LYS A 21 -12.241 8.028 -10.116 1.00 0.00 O ATOM 290 CB LYS A 21 -10.320 10.238 -11.567 1.00 0.00 C ATOM 291 CG LYS A 21 -8.880 10.653 -11.207 1.00 0.00 C ATOM 292 CD LYS A 21 -7.772 10.039 -12.079 1.00 0.00 C ATOM 293 CE LYS A 21 -6.445 10.776 -11.838 1.00 0.00 C ATOM 294 NZ LYS A 21 -5.356 10.299 -12.731 1.00 0.00 N ATOM 0 H LYS A 21 -9.996 8.984 -13.674 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.898 8.232 -10.932 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.588 10.693 -12.521 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.999 10.645 -10.818 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.808 11.739 -11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.692 10.381 -10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.658 8.981 -11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.048 10.104 -13.131 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.594 11.845 -11.992 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.143 10.642 -10.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.484 10.828 -12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.192 9.285 -12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.629 10.450 -13.723 1.00 0.00 H new ATOM 308 N ALA A 22 -12.902 8.196 -12.254 1.00 0.00 N ATOM 309 CA ALA A 22 -14.270 7.716 -12.024 1.00 0.00 C ATOM 310 C ALA A 22 -14.339 6.197 -11.778 1.00 0.00 C ATOM 311 O ALA A 22 -15.117 5.762 -10.931 1.00 0.00 O ATOM 312 CB ALA A 22 -15.163 8.144 -13.196 1.00 0.00 C ATOM 0 H ALA A 22 -12.714 8.434 -13.228 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.638 8.175 -11.106 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -16.180 7.789 -13.028 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.167 9.231 -13.272 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.778 7.716 -14.122 1.00 0.00 H new ATOM 391 N GLU A 29 -13.011 1.493 -2.715 1.00 0.00 N ATOM 392 CA GLU A 29 -12.199 0.536 -1.965 1.00 0.00 C ATOM 393 C GLU A 29 -10.704 0.889 -2.033 1.00 0.00 C ATOM 394 O GLU A 29 -10.330 1.888 -2.640 1.00 0.00 O ATOM 395 CB GLU A 29 -12.442 -0.873 -2.527 1.00 0.00 C ATOM 396 CG GLU A 29 -12.945 -1.852 -1.456 1.00 0.00 C ATOM 397 CD GLU A 29 -14.300 -1.431 -0.864 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.323 -1.476 -1.584 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.352 -1.071 0.337 1.00 0.00 O ATOM 0 HA GLU A 29 -12.493 0.574 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.171 -0.818 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.516 -1.254 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.036 -2.847 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.208 -1.920 -0.656 1.00 0.00 H new ATOM 406 N TYR A 30 -9.849 0.063 -1.421 1.00 0.00 N ATOM 407 CA TYR A 30 -8.400 0.278 -1.305 1.00 0.00 C ATOM 408 C TYR A 30 -7.673 -0.934 -0.704 1.00 0.00 C ATOM 409 O TYR A 30 -8.219 -1.649 0.142 1.00 0.00 O ATOM 410 CB TYR A 30 -8.108 1.528 -0.459 1.00 0.00 C ATOM 411 CG TYR A 30 -8.601 1.416 0.974 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.967 1.601 1.265 1.00 0.00 C ATOM 413 CD2 TYR A 30 -7.707 1.051 2.000 1.00 0.00 C ATOM 414 CE1 TYR A 30 -10.441 1.432 2.579 1.00 0.00 C ATOM 415 CE2 TYR A 30 -8.174 0.879 3.317 1.00 0.00 C ATOM 416 CZ TYR A 30 -9.544 1.070 3.612 1.00 0.00 C ATOM 417 OH TYR A 30 -9.999 0.886 4.884 1.00 0.00 O ATOM 0 H TYR A 30 -10.155 -0.803 -0.977 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.021 0.422 -2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.033 1.710 -0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.575 2.393 -0.929 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.653 1.874 0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.661 0.903 1.776 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -11.488 1.578 2.799 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.486 0.601 4.102 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.251 0.640 5.467 1.00 0.00 H new ATOM 427 N ALA A 31 -6.423 -1.137 -1.121 1.00 0.00 N ATOM 428 CA ALA A 31 -5.538 -2.192 -0.634 1.00 0.00 C ATOM 429 C ALA A 31 -4.058 -1.820 -0.814 1.00 0.00 C ATOM 430 O ALA A 31 -3.693 -1.096 -1.742 1.00 0.00 O ATOM 431 CB ALA A 31 -5.890 -3.497 -1.366 1.00 0.00 C ATOM 0 H ALA A 31 -5.985 -0.551 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.686 -2.325 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.239 -4.298 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.929 -3.759 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.752 -3.361 -2.439 1.00 0.00 H new ATOM 437 N TRP A 32 -3.211 -2.352 0.067 1.00 0.00 N ATOM 438 CA TRP A 32 -1.751 -2.310 -0.045 1.00 0.00 C ATOM 439 C TRP A 32 -1.218 -3.708 -0.391 1.00 0.00 C ATOM 440 O TRP A 32 -1.761 -4.723 0.054 1.00 0.00 O ATOM 441 CB TRP A 32 -1.130 -1.791 1.264 1.00 0.00 C ATOM 442 CG TRP A 32 -1.273 -0.326 1.550 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.405 0.296 1.951 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.244 0.712 1.500 1.00 0.00 C ATOM 445 NE1 TRP A 32 -2.152 1.638 2.156 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.835 1.951 1.902 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.133 0.735 1.174 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -0.101 3.144 1.983 1.00 0.00 C ATOM 449 CZ3 TRP A 32 1.873 1.931 1.248 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.262 3.132 1.646 1.00 0.00 C ATOM 0 H TRP A 32 -3.531 -2.839 0.904 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.471 -1.624 -0.845 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.574 -2.343 2.092 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.067 -2.032 1.254 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.362 -0.184 2.090 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.854 2.314 2.458 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.623 -0.176 0.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.578 4.059 2.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.923 1.925 0.996 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.839 4.044 1.693 1.00 0.00 H new ATOM 461 N TYR A 33 -0.119 -3.760 -1.145 1.00 0.00 N ATOM 462 CA TYR A 33 0.545 -4.996 -1.577 1.00 0.00 C ATOM 463 C TYR A 33 2.073 -4.903 -1.440 1.00 0.00 C ATOM 464 O TYR A 33 2.640 -3.811 -1.404 1.00 0.00 O ATOM 465 CB TYR A 33 0.181 -5.308 -3.041 1.00 0.00 C ATOM 466 CG TYR A 33 -1.258 -5.690 -3.329 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.258 -4.701 -3.403 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.583 -7.033 -3.604 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.585 -5.054 -3.714 1.00 0.00 C ATOM 470 CE2 TYR A 33 -2.908 -7.394 -3.914 1.00 0.00 C ATOM 471 CZ TYR A 33 -3.915 -6.405 -3.966 1.00 0.00 C ATOM 472 OH TYR A 33 -5.195 -6.756 -4.276 1.00 0.00 O ATOM 0 H TYR A 33 0.350 -2.919 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 33 0.195 -5.798 -0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.426 -4.434 -3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.822 -6.121 -3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.006 -3.667 -3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.812 -7.789 -3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.350 -4.293 -3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.154 -8.427 -4.112 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.243 -7.724 -4.419 1.00 0.00 H new ATOM 482 N TYR A 34 2.742 -6.056 -1.430 1.00 0.00 N ATOM 483 CA TYR A 34 4.201 -6.212 -1.394 1.00 0.00 C ATOM 484 C TYR A 34 4.657 -7.357 -2.317 1.00 0.00 C ATOM 485 O TYR A 34 3.912 -8.318 -2.517 1.00 0.00 O ATOM 486 CB TYR A 34 4.657 -6.459 0.053 1.00 0.00 C ATOM 487 CG TYR A 34 4.181 -7.756 0.687 1.00 0.00 C ATOM 488 CD1 TYR A 34 2.908 -7.829 1.289 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.024 -8.887 0.698 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.470 -9.026 1.883 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.594 -10.087 1.295 1.00 0.00 C ATOM 492 CZ TYR A 34 3.311 -10.161 1.889 1.00 0.00 C ATOM 493 OH TYR A 34 2.886 -11.318 2.468 1.00 0.00 O ATOM 0 H TYR A 34 2.259 -6.954 -1.448 1.00 0.00 H new ATOM 0 HA TYR A 34 4.662 -5.294 -1.759 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.747 -6.444 0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.312 -5.628 0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.266 -6.961 1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.004 -8.832 0.246 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.490 -9.078 2.335 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.242 -10.951 1.300 1.00 0.00 H new ATOM 0 HH TYR A 34 3.584 -12.001 2.385 1.00 0.00 H new ATOM 503 N GLU A 35 5.858 -7.267 -2.896 1.00 0.00 N ATOM 504 CA GLU A 35 6.394 -8.338 -3.746 1.00 0.00 C ATOM 505 C GLU A 35 6.920 -9.518 -2.917 1.00 0.00 C ATOM 506 O GLU A 35 7.667 -9.344 -1.949 1.00 0.00 O ATOM 507 CB GLU A 35 7.511 -7.841 -4.678 1.00 0.00 C ATOM 508 CG GLU A 35 6.997 -6.936 -5.803 1.00 0.00 C ATOM 509 CD GLU A 35 7.973 -6.917 -6.994 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.150 -6.523 -6.817 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.574 -7.316 -8.114 1.00 0.00 O ATOM 0 H GLU A 35 6.479 -6.464 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 35 5.556 -8.676 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.250 -7.296 -4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.021 -8.700 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.020 -7.285 -6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.861 -5.923 -5.425 1.00 0.00 H new ATOM 518 N GLY A 36 6.542 -10.730 -3.332 1.00 0.00 N ATOM 519 CA GLY A 36 7.078 -12.014 -2.869 1.00 0.00 C ATOM 520 C GLY A 36 7.487 -12.922 -4.032 1.00 0.00 C ATOM 521 O GLY A 36 7.560 -12.489 -5.184 1.00 0.00 O ATOM 0 H GLY A 36 5.815 -10.849 -4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.942 -11.836 -2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.329 -12.521 -2.261 1.00 0.00 H new ATOM 525 N ARG A 37 7.754 -14.196 -3.720 1.00 0.00 N ATOM 526 CA ARG A 37 8.323 -15.197 -4.640 1.00 0.00 C ATOM 527 C ARG A 37 7.547 -15.350 -5.963 1.00 0.00 C ATOM 528 O ARG A 37 8.153 -15.444 -7.030 1.00 0.00 O ATOM 529 CB ARG A 37 8.390 -16.538 -3.886 1.00 0.00 C ATOM 530 CG ARG A 37 9.165 -17.628 -4.650 1.00 0.00 C ATOM 531 CD ARG A 37 9.156 -18.969 -3.906 1.00 0.00 C ATOM 532 NE ARG A 37 7.807 -19.560 -3.891 1.00 0.00 N ATOM 533 CZ ARG A 37 7.409 -20.642 -3.237 1.00 0.00 C ATOM 534 NH1 ARG A 37 8.228 -21.355 -2.492 1.00 0.00 N ATOM 535 NH2 ARG A 37 6.153 -21.017 -3.334 1.00 0.00 N ATOM 0 H ARG A 37 7.575 -14.574 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 37 9.314 -14.856 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.862 -16.379 -2.916 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.376 -16.890 -3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.726 -17.759 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.195 -17.303 -4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.853 -19.658 -4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.503 -18.823 -2.883 1.00 0.00 H new ATOM 0 HE ARG A 37 7.098 -19.082 -4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.206 -21.080 -2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.884 -22.182 -2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.503 -20.478 -3.906 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.829 -21.847 -2.838 1.00 0.00 H new ATOM 549 N ASN A 38 6.210 -15.369 -5.889 1.00 0.00 N ATOM 550 CA ASN A 38 5.311 -15.661 -7.017 1.00 0.00 C ATOM 551 C ASN A 38 4.560 -14.432 -7.589 1.00 0.00 C ATOM 552 O ASN A 38 3.837 -14.566 -8.580 1.00 0.00 O ATOM 553 CB ASN A 38 4.348 -16.785 -6.593 1.00 0.00 C ATOM 554 CG ASN A 38 5.049 -18.129 -6.445 1.00 0.00 C ATOM 555 OD1 ASN A 38 5.636 -18.438 -5.414 1.00 0.00 O ATOM 556 ND2 ASN A 38 5.009 -18.968 -7.459 1.00 0.00 N ATOM 0 H ASN A 38 5.709 -15.177 -5.021 1.00 0.00 H new ATOM 0 HA ASN A 38 5.931 -15.986 -7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.878 -16.518 -5.647 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.551 -16.874 -7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.467 -19.877 -7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.520 -18.709 -8.316 1.00 0.00 H new ATOM 563 N GLY A 39 4.730 -13.241 -6.999 1.00 0.00 N ATOM 564 CA GLY A 39 4.127 -11.971 -7.433 1.00 0.00 C ATOM 565 C GLY A 39 3.788 -11.037 -6.271 1.00 0.00 C ATOM 566 O GLY A 39 4.321 -11.186 -5.170 1.00 0.00 O ATOM 0 H GLY A 39 5.316 -13.130 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.813 -11.463 -8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.219 -12.182 -7.998 1.00 0.00 H new ATOM 570 N TRP A 40 2.906 -10.066 -6.517 1.00 0.00 N ATOM 571 CA TRP A 40 2.335 -9.195 -5.485 1.00 0.00 C ATOM 572 C TRP A 40 1.357 -9.951 -4.571 1.00 0.00 C ATOM 573 O TRP A 40 0.486 -10.680 -5.051 1.00 0.00 O ATOM 574 CB TRP A 40 1.613 -8.018 -6.155 1.00 0.00 C ATOM 575 CG TRP A 40 2.476 -7.123 -6.985 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.606 -7.187 -8.327 1.00 0.00 C ATOM 577 CD2 TRP A 40 3.340 -6.027 -6.552 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.491 -6.219 -8.753 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.959 -5.455 -7.704 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.660 -5.457 -5.302 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.831 -4.357 -7.623 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.541 -4.363 -5.211 1.00 0.00 C ATOM 583 CH2 TRP A 40 5.117 -3.801 -6.364 1.00 0.00 C ATOM 0 H TRP A 40 2.562 -9.859 -7.455 1.00 0.00 H new ATOM 0 HA TRP A 40 3.153 -8.831 -4.863 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.817 -8.414 -6.786 1.00 0.00 H new ATOM 0 HB3 TRP A 40 1.136 -7.418 -5.380 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.095 -7.889 -8.969 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.766 -6.084 -9.726 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.223 -5.865 -4.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.276 -3.945 -8.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.778 -3.949 -4.242 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.775 -2.948 -6.283 1.00 0.00 H new ATOM 594 N TRP A 41 1.456 -9.710 -3.261 1.00 0.00 N ATOM 595 CA TRP A 41 0.597 -10.280 -2.215 1.00 0.00 C ATOM 596 C TRP A 41 0.087 -9.176 -1.278 1.00 0.00 C ATOM 597 O TRP A 41 0.784 -8.191 -1.034 1.00 0.00 O ATOM 598 CB TRP A 41 1.371 -11.391 -1.485 1.00 0.00 C ATOM 599 CG TRP A 41 1.783 -12.511 -2.394 1.00 0.00 C ATOM 600 CD1 TRP A 41 3.050 -12.887 -2.677 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.927 -13.331 -3.250 1.00 0.00 C ATOM 602 NE1 TRP A 41 3.039 -13.848 -3.669 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.759 -14.122 -4.097 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.469 -13.445 -3.435 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.235 -14.941 -5.107 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -1.006 -14.278 -4.434 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.158 -15.020 -5.276 1.00 0.00 C ATOM 0 H TRP A 41 2.168 -9.085 -2.882 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.292 -10.733 -2.653 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.259 -10.963 -1.020 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.752 -11.791 -0.682 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.936 -12.496 -2.200 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.876 -14.299 -4.039 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.136 -12.883 -2.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.895 -15.506 -5.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.077 -14.348 -4.555 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.576 -15.648 -6.049 1.00 0.00 H new ATOM 618 N GLN A 42 -1.158 -9.296 -0.815 1.00 0.00 N ATOM 619 CA GLN A 42 -1.866 -8.226 -0.103 1.00 0.00 C ATOM 620 C GLN A 42 -1.555 -8.240 1.405 1.00 0.00 C ATOM 621 O GLN A 42 -1.473 -9.301 2.026 1.00 0.00 O ATOM 622 CB GLN A 42 -3.378 -8.376 -0.364 1.00 0.00 C ATOM 623 CG GLN A 42 -4.156 -7.080 -0.084 1.00 0.00 C ATOM 624 CD GLN A 42 -5.675 -7.262 -0.187 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.202 -7.985 -1.023 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.446 -6.622 0.671 1.00 0.00 N ATOM 0 H GLN A 42 -1.711 -10.146 -0.924 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.524 -7.261 -0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.537 -8.674 -1.400 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.774 -9.176 0.262 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.905 -6.720 0.914 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.838 -6.312 -0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.029 -6.014 1.376 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.459 -6.735 0.629 1.00 0.00 H new ATOM 635 N TYR A 43 -1.426 -7.055 2.008 1.00 0.00 N ATOM 636 CA TYR A 43 -1.351 -6.887 3.467 1.00 0.00 C ATOM 637 C TYR A 43 -2.688 -7.202 4.171 1.00 0.00 C ATOM 638 O TYR A 43 -3.769 -7.047 3.595 1.00 0.00 O ATOM 639 CB TYR A 43 -0.922 -5.450 3.796 1.00 0.00 C ATOM 640 CG TYR A 43 0.548 -5.167 3.584 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.481 -5.528 4.573 1.00 0.00 C ATOM 642 CD2 TYR A 43 0.985 -4.515 2.418 1.00 0.00 C ATOM 643 CE1 TYR A 43 2.843 -5.227 4.404 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.343 -4.209 2.235 1.00 0.00 C ATOM 645 CZ TYR A 43 3.278 -4.571 3.228 1.00 0.00 C ATOM 646 OH TYR A 43 4.595 -4.309 3.031 1.00 0.00 O ATOM 0 H TYR A 43 -1.370 -6.175 1.495 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.615 -7.600 3.838 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.503 -4.762 3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.173 -5.239 4.836 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.149 -6.038 5.465 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.269 -4.247 1.655 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.556 -5.496 5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.670 -3.700 1.340 1.00 0.00 H new ATOM 0 HH TYR A 43 5.071 -5.146 2.849 1.00 0.00 H new ATOM 656 N ASP A 44 -2.617 -7.595 5.449 1.00 0.00 N ATOM 657 CA ASP A 44 -3.795 -7.740 6.316 1.00 0.00 C ATOM 658 C ASP A 44 -4.314 -6.365 6.769 1.00 0.00 C ATOM 659 O ASP A 44 -3.564 -5.391 6.819 1.00 0.00 O ATOM 660 CB ASP A 44 -3.451 -8.643 7.513 1.00 0.00 C ATOM 661 CG ASP A 44 -4.685 -9.327 8.121 1.00 0.00 C ATOM 662 OD1 ASP A 44 -5.550 -8.617 8.680 1.00 0.00 O ATOM 663 OD2 ASP A 44 -4.789 -10.572 8.040 1.00 0.00 O ATOM 0 H ASP A 44 -1.738 -7.822 5.913 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.598 -8.214 5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.740 -9.405 7.194 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.957 -8.047 8.281 1.00 0.00 H new ATOM 668 N GLU A 45 -5.592 -6.293 7.133 1.00 0.00 N ATOM 669 CA GLU A 45 -6.272 -5.050 7.528 1.00 0.00 C ATOM 670 C GLU A 45 -5.768 -4.462 8.861 1.00 0.00 C ATOM 671 O GLU A 45 -5.907 -3.260 9.100 1.00 0.00 O ATOM 672 CB GLU A 45 -7.799 -5.249 7.534 1.00 0.00 C ATOM 673 CG GLU A 45 -8.291 -6.353 8.480 1.00 0.00 C ATOM 674 CD GLU A 45 -9.826 -6.389 8.533 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.450 -7.068 7.684 1.00 0.00 O ATOM 676 OE2 GLU A 45 -10.419 -5.740 9.427 1.00 0.00 O ATOM 0 H GLU A 45 -6.201 -7.111 7.164 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.018 -4.305 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.275 -4.309 7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.127 -5.483 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.912 -7.319 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.893 -6.184 9.480 1.00 0.00 H new ATOM 683 N ARG A 46 -5.113 -5.278 9.702 1.00 0.00 N ATOM 684 CA ARG A 46 -4.402 -4.814 10.910 1.00 0.00 C ATOM 685 C ARG A 46 -3.169 -3.974 10.556 1.00 0.00 C ATOM 686 O ARG A 46 -2.792 -3.051 11.281 1.00 0.00 O ATOM 687 CB ARG A 46 -3.920 -6.000 11.761 1.00 0.00 C ATOM 688 CG ARG A 46 -5.052 -6.745 12.470 1.00 0.00 C ATOM 689 CD ARG A 46 -5.777 -7.740 11.564 1.00 0.00 C ATOM 690 NE ARG A 46 -6.719 -8.595 12.301 1.00 0.00 N ATOM 691 CZ ARG A 46 -7.443 -9.570 11.761 1.00 0.00 C ATOM 692 NH1 ARG A 46 -7.355 -9.878 10.482 1.00 0.00 N ATOM 693 NH2 ARG A 46 -8.276 -10.258 12.513 1.00 0.00 N ATOM 0 H ARG A 46 -5.060 -6.287 9.564 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.117 -4.209 11.467 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.380 -6.699 11.122 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.212 -5.638 12.506 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.646 -7.276 13.331 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.771 -6.021 12.853 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.317 -7.194 10.790 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.043 -8.367 11.058 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.825 -8.427 13.302 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.717 -9.362 9.876 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.925 -10.632 10.099 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.364 -10.042 13.506 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.834 -11.007 12.103 1.00 0.00 H new ATOM 707 N THR A 47 -2.542 -4.349 9.443 1.00 0.00 N ATOM 708 CA THR A 47 -1.243 -3.864 8.953 1.00 0.00 C ATOM 709 C THR A 47 -1.383 -2.734 7.943 1.00 0.00 C ATOM 710 O THR A 47 -0.769 -1.687 8.117 1.00 0.00 O ATOM 711 CB THR A 47 -0.453 -5.038 8.365 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.428 -6.081 9.318 1.00 0.00 O ATOM 713 CG2 THR A 47 0.984 -4.632 8.061 1.00 0.00 C ATOM 0 H THR A 47 -2.949 -5.043 8.816 1.00 0.00 H new ATOM 0 HA THR A 47 -0.698 -3.445 9.799 1.00 0.00 H new ATOM 0 HB THR A 47 -0.933 -5.355 7.439 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.073 -6.842 8.957 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.522 -5.483 7.645 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.986 -3.814 7.341 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.473 -4.308 8.980 1.00 0.00 H new ATOM 721 N SER A 48 -2.213 -2.892 6.914 1.00 0.00 N ATOM 722 CA SER A 48 -2.372 -1.893 5.847 1.00 0.00 C ATOM 723 C SER A 48 -2.926 -0.553 6.347 1.00 0.00 C ATOM 724 O SER A 48 -2.584 0.501 5.802 1.00 0.00 O ATOM 725 CB SER A 48 -3.258 -2.442 4.723 1.00 0.00 C ATOM 726 OG SER A 48 -4.571 -2.726 5.185 1.00 0.00 O ATOM 0 H SER A 48 -2.799 -3.718 6.792 1.00 0.00 H new ATOM 0 HA SER A 48 -1.371 -1.696 5.463 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.306 -1.718 3.910 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.811 -3.349 4.316 1.00 0.00 H new ATOM 0 HG SER A 48 -5.111 -3.073 4.444 1.00 0.00 H new ATOM 732 N ARG A 49 -3.687 -0.566 7.451 1.00 0.00 N ATOM 733 CA ARG A 49 -4.136 0.660 8.111 1.00 0.00 C ATOM 734 C ARG A 49 -2.969 1.496 8.643 1.00 0.00 C ATOM 735 O ARG A 49 -3.088 2.715 8.679 1.00 0.00 O ATOM 736 CB ARG A 49 -5.193 0.358 9.187 1.00 0.00 C ATOM 737 CG ARG A 49 -4.660 -0.264 10.492 1.00 0.00 C ATOM 738 CD ARG A 49 -4.048 0.691 11.537 1.00 0.00 C ATOM 739 NE ARG A 49 -4.888 1.872 11.815 1.00 0.00 N ATOM 740 CZ ARG A 49 -4.447 3.094 12.106 1.00 0.00 C ATOM 741 NH1 ARG A 49 -3.179 3.362 12.329 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.293 4.099 12.179 1.00 0.00 N ATOM 0 H ARG A 49 -4.005 -1.422 7.906 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.620 1.279 7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.710 1.286 9.433 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.935 -0.317 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.480 -0.802 10.968 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.904 -1.003 10.228 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.884 0.144 12.466 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.071 1.024 11.186 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.899 1.740 11.781 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.484 2.617 12.282 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.890 4.315 12.548 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.287 3.942 12.013 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.955 5.035 12.402 1.00 0.00 H new ATOM 756 N GLU A 50 -1.837 0.884 9.016 1.00 0.00 N ATOM 757 CA GLU A 50 -0.670 1.634 9.513 1.00 0.00 C ATOM 758 C GLU A 50 -0.039 2.441 8.371 1.00 0.00 C ATOM 759 O GLU A 50 0.337 3.601 8.540 1.00 0.00 O ATOM 760 CB GLU A 50 0.382 0.689 10.125 1.00 0.00 C ATOM 761 CG GLU A 50 -0.114 -0.190 11.284 1.00 0.00 C ATOM 762 CD GLU A 50 -0.267 0.596 12.597 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.161 1.467 12.681 1.00 0.00 O ATOM 764 OE2 GLU A 50 0.491 0.331 13.560 1.00 0.00 O ATOM 0 H GLU A 50 -1.702 -0.127 8.984 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.014 2.313 10.293 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.764 0.040 9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.221 1.288 10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.073 -0.632 11.015 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.585 -1.013 11.436 1.00 0.00 H new ATOM 771 N LEU A 51 0.004 1.832 7.182 1.00 0.00 N ATOM 772 CA LEU A 51 0.534 2.403 5.944 1.00 0.00 C ATOM 773 C LEU A 51 -0.377 3.527 5.421 1.00 0.00 C ATOM 774 O LEU A 51 0.110 4.594 5.043 1.00 0.00 O ATOM 775 CB LEU A 51 0.686 1.258 4.919 1.00 0.00 C ATOM 776 CG LEU A 51 1.404 -0.015 5.421 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.335 -1.115 4.357 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.859 0.277 5.799 1.00 0.00 C ATOM 0 H LEU A 51 -0.347 0.883 7.053 1.00 0.00 H new ATOM 0 HA LEU A 51 1.508 2.859 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.307 0.976 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.230 1.641 4.056 1.00 0.00 H new ATOM 0 HG LEU A 51 0.892 -0.360 6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.844 -2.007 4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.292 -1.353 4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.819 -0.769 3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.335 -0.639 6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.393 0.654 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.886 1.025 6.592 1.00 0.00 H new ATOM 790 N GLU A 52 -1.698 3.313 5.462 1.00 0.00 N ATOM 791 CA GLU A 52 -2.710 4.330 5.144 1.00 0.00 C ATOM 792 C GLU A 52 -2.700 5.518 6.132 1.00 0.00 C ATOM 793 O GLU A 52 -2.911 6.660 5.729 1.00 0.00 O ATOM 794 CB GLU A 52 -4.104 3.675 5.114 1.00 0.00 C ATOM 795 CG GLU A 52 -5.196 4.663 4.674 1.00 0.00 C ATOM 796 CD GLU A 52 -6.597 4.038 4.623 1.00 0.00 C ATOM 797 OE1 GLU A 52 -7.030 3.419 5.623 1.00 0.00 O ATOM 798 OE2 GLU A 52 -7.295 4.228 3.598 1.00 0.00 O ATOM 0 H GLU A 52 -2.101 2.413 5.722 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.464 4.738 4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.090 2.824 4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.344 3.287 6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.208 5.509 5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.945 5.056 3.689 1.00 0.00 H new ATOM 805 N ASP A 53 -2.442 5.289 7.422 1.00 0.00 N ATOM 806 CA ASP A 53 -2.470 6.342 8.445 1.00 0.00 C ATOM 807 C ASP A 53 -1.239 7.242 8.328 1.00 0.00 C ATOM 808 O ASP A 53 -1.315 8.454 8.479 1.00 0.00 O ATOM 809 CB ASP A 53 -2.529 5.677 9.827 1.00 0.00 C ATOM 810 CG ASP A 53 -2.904 6.597 10.999 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.520 7.667 10.790 1.00 0.00 O ATOM 812 OD2 ASP A 53 -2.646 6.180 12.153 1.00 0.00 O ATOM 0 H ASP A 53 -2.207 4.367 7.789 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.349 6.971 8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.251 4.861 9.786 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.556 5.232 10.037 1.00 0.00 H new ATOM 817 N ALA A 54 -0.101 6.636 8.007 1.00 0.00 N ATOM 818 CA ALA A 54 1.204 7.280 7.911 1.00 0.00 C ATOM 819 C ALA A 54 1.296 8.374 6.833 1.00 0.00 C ATOM 820 O ALA A 54 1.702 9.496 7.153 1.00 0.00 O ATOM 821 CB ALA A 54 2.222 6.167 7.703 1.00 0.00 C ATOM 0 H ALA A 54 -0.061 5.639 7.797 1.00 0.00 H new ATOM 0 HA ALA A 54 1.402 7.830 8.831 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.220 6.597 7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.188 5.480 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.987 5.626 6.787 1.00 0.00 H new ATOM 827 N PHE A 55 0.877 8.096 5.591 1.00 0.00 N ATOM 828 CA PHE A 55 0.871 9.120 4.532 1.00 0.00 C ATOM 829 C PHE A 55 -0.158 10.229 4.832 1.00 0.00 C ATOM 830 O PHE A 55 -0.010 11.367 4.389 1.00 0.00 O ATOM 831 CB PHE A 55 0.661 8.483 3.139 1.00 0.00 C ATOM 832 CG PHE A 55 -0.757 8.551 2.604 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.706 7.602 3.015 1.00 0.00 C ATOM 834 CD2 PHE A 55 -1.143 9.597 1.742 1.00 0.00 C ATOM 835 CE1 PHE A 55 -3.047 7.722 2.608 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.479 9.702 1.314 1.00 0.00 C ATOM 837 CZ PHE A 55 -3.436 8.774 1.759 1.00 0.00 C ATOM 0 H PHE A 55 0.540 7.180 5.294 1.00 0.00 H new ATOM 0 HA PHE A 55 1.851 9.596 4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.324 8.976 2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.965 7.437 3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.406 6.778 3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.412 10.319 1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.780 7.005 2.948 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.770 10.497 0.643 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.467 8.868 1.450 1.00 0.00 H new ATOM 847 N SER A 56 -1.178 9.894 5.624 1.00 0.00 N ATOM 848 CA SER A 56 -2.221 10.822 6.081 1.00 0.00 C ATOM 849 C SER A 56 -1.747 11.721 7.245 1.00 0.00 C ATOM 850 O SER A 56 -2.122 12.895 7.325 1.00 0.00 O ATOM 851 CB SER A 56 -3.467 10.019 6.486 1.00 0.00 C ATOM 852 OG SER A 56 -4.637 10.826 6.436 1.00 0.00 O ATOM 0 H SER A 56 -1.307 8.945 5.976 1.00 0.00 H new ATOM 0 HA SER A 56 -2.462 11.492 5.255 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.583 9.163 5.821 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.337 9.624 7.494 1.00 0.00 H new ATOM 0 HG SER A 56 -5.415 10.290 6.697 1.00 0.00 H new ATOM 858 N LYS A 57 -0.867 11.210 8.118 1.00 0.00 N ATOM 859 CA LYS A 57 -0.229 11.961 9.209 1.00 0.00 C ATOM 860 C LYS A 57 0.825 12.945 8.678 1.00 0.00 C ATOM 861 O LYS A 57 0.903 14.082 9.149 1.00 0.00 O ATOM 862 CB LYS A 57 0.439 10.968 10.176 1.00 0.00 C ATOM 863 CG LYS A 57 -0.547 10.244 11.107 1.00 0.00 C ATOM 864 CD LYS A 57 0.016 8.890 11.568 1.00 0.00 C ATOM 865 CE LYS A 57 1.408 8.979 12.218 1.00 0.00 C ATOM 866 NZ LYS A 57 1.318 9.240 13.682 1.00 0.00 N ATOM 0 H LYS A 57 -0.571 10.235 8.084 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.997 12.539 9.723 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.988 10.226 9.597 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.170 11.503 10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.757 10.868 11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.494 10.090 10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.678 8.443 12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.069 8.219 10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.949 8.049 12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.982 9.774 11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.275 9.293 14.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.823 10.140 13.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.792 8.469 14.140 1.00 0.00 H new ATOM 880 N GLY A 58 1.628 12.503 7.700 1.00 0.00 N ATOM 881 CA GLY A 58 2.679 13.292 7.052 1.00 0.00 C ATOM 882 C GLY A 58 4.064 12.655 7.121 1.00 0.00 C ATOM 883 O GLY A 58 4.988 13.170 6.490 1.00 0.00 O ATOM 0 H GLY A 58 1.560 11.556 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.412 13.445 6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.719 14.277 7.518 1.00 0.00 H new ATOM 887 N LYS A 59 4.238 11.551 7.861 1.00 0.00 N ATOM 888 CA LYS A 59 5.503 10.812 7.863 1.00 0.00 C ATOM 889 C LYS A 59 5.811 10.173 6.496 1.00 0.00 C ATOM 890 O LYS A 59 4.923 9.779 5.736 1.00 0.00 O ATOM 891 CB LYS A 59 5.559 9.786 9.012 1.00 0.00 C ATOM 892 CG LYS A 59 4.311 8.906 9.121 1.00 0.00 C ATOM 893 CD LYS A 59 4.547 7.640 9.955 1.00 0.00 C ATOM 894 CE LYS A 59 5.079 7.904 11.371 1.00 0.00 C ATOM 895 NZ LYS A 59 5.359 6.631 12.090 1.00 0.00 N ATOM 0 H LYS A 59 3.518 11.153 8.464 1.00 0.00 H new ATOM 0 HA LYS A 59 6.295 11.539 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.431 9.147 8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.700 10.317 9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.502 9.484 9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.984 8.621 8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.610 7.088 10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.254 6.999 9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.990 8.500 11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.350 8.488 11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.882 6.642 13.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.007 5.830 11.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.384 6.530 12.231 1.00 0.00 H new ATOM 909 N LYS A 60 7.106 10.039 6.210 1.00 0.00 N ATOM 910 CA LYS A 60 7.648 9.529 4.937 1.00 0.00 C ATOM 911 C LYS A 60 7.988 8.025 4.980 1.00 0.00 C ATOM 912 O LYS A 60 8.376 7.434 3.975 1.00 0.00 O ATOM 913 CB LYS A 60 8.829 10.429 4.519 1.00 0.00 C ATOM 914 CG LYS A 60 10.148 10.196 5.265 1.00 0.00 C ATOM 915 CD LYS A 60 11.208 11.219 4.837 1.00 0.00 C ATOM 916 CE LYS A 60 12.524 10.968 5.586 1.00 0.00 C ATOM 917 NZ LYS A 60 13.574 11.947 5.196 1.00 0.00 N ATOM 0 H LYS A 60 7.837 10.289 6.876 1.00 0.00 H new ATOM 0 HA LYS A 60 6.879 9.586 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.008 10.288 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.534 11.469 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.980 10.268 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.509 9.187 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.375 11.152 3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.852 12.229 5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.349 11.030 6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.874 9.957 5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.448 11.746 5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.759 11.870 4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.250 12.910 5.417 1.00 0.00 H new ATOM 931 N ASN A 61 7.834 7.405 6.152 1.00 0.00 N ATOM 932 CA ASN A 61 8.076 5.985 6.426 1.00 0.00 C ATOM 933 C ASN A 61 7.478 5.610 7.786 1.00 0.00 C ATOM 934 O ASN A 61 7.546 6.397 8.733 1.00 0.00 O ATOM 935 CB ASN A 61 9.575 5.613 6.370 1.00 0.00 C ATOM 936 CG ASN A 61 10.403 6.254 7.478 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.640 7.544 7.359 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.819 5.616 8.437 1.00 0.00 N flip ATOM 0 H ASN A 61 7.520 7.907 6.982 1.00 0.00 H new ATOM 0 HA ASN A 61 7.585 5.413 5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.675 4.529 6.433 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.980 5.914 5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.623 4.617 8.509 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.361 6.083 9.164 1.00 0.00 H new ATOM 945 N THR A 62 6.894 4.415 7.872 1.00 0.00 N ATOM 946 CA THR A 62 6.281 3.872 9.100 1.00 0.00 C ATOM 947 C THR A 62 6.746 2.449 9.401 1.00 0.00 C ATOM 948 O THR A 62 7.566 1.901 8.673 1.00 0.00 O ATOM 949 CB THR A 62 4.762 4.047 9.042 1.00 0.00 C ATOM 950 OG1 THR A 62 4.278 4.010 10.365 1.00 0.00 O ATOM 951 CG2 THR A 62 4.060 2.988 8.188 1.00 0.00 C ATOM 0 H THR A 62 6.829 3.779 7.078 1.00 0.00 H new ATOM 0 HA THR A 62 6.629 4.446 9.959 1.00 0.00 H new ATOM 0 HB THR A 62 4.543 5.001 8.562 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.304 4.122 10.360 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.986 3.172 8.191 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.434 3.039 7.166 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.260 1.998 8.599 1.00 0.00 H new ATOM 959 N GLU A 63 6.259 1.868 10.494 1.00 0.00 N ATOM 960 CA GLU A 63 6.713 0.601 11.062 1.00 0.00 C ATOM 961 C GLU A 63 5.546 -0.364 11.294 1.00 0.00 C ATOM 962 O GLU A 63 4.430 0.045 11.623 1.00 0.00 O ATOM 963 CB GLU A 63 7.437 0.877 12.387 1.00 0.00 C ATOM 964 CG GLU A 63 8.811 1.499 12.136 1.00 0.00 C ATOM 965 CD GLU A 63 9.543 1.803 13.448 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.169 2.776 14.145 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.515 1.085 13.776 1.00 0.00 O ATOM 0 H GLU A 63 5.502 2.287 11.033 1.00 0.00 H new ATOM 0 HA GLU A 63 7.393 0.129 10.353 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.836 1.547 13.002 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.550 -0.052 12.945 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.413 0.820 11.532 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.695 2.418 11.562 1.00 0.00 H new ATOM 974 N MET A 64 5.826 -1.659 11.133 1.00 0.00 N ATOM 975 CA MET A 64 4.837 -2.741 11.171 1.00 0.00 C ATOM 976 C MET A 64 5.458 -4.086 11.568 1.00 0.00 C ATOM 977 O MET A 64 6.613 -4.376 11.248 1.00 0.00 O ATOM 978 CB MET A 64 4.117 -2.853 9.814 1.00 0.00 C ATOM 979 CG MET A 64 5.098 -2.942 8.638 1.00 0.00 C ATOM 980 SD MET A 64 4.351 -3.281 7.031 1.00 0.00 S ATOM 981 CE MET A 64 5.868 -3.752 6.164 1.00 0.00 C ATOM 0 H MET A 64 6.775 -1.995 10.968 1.00 0.00 H new ATOM 0 HA MET A 64 4.109 -2.489 11.942 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.477 -3.735 9.817 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.468 -1.988 9.678 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.647 -2.003 8.573 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.827 -3.724 8.853 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.778 -3.496 5.108 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.715 -3.219 6.596 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.026 -4.826 6.264 1.00 0.00 H new ATOM 991 N LEU A 65 4.669 -4.909 12.257 1.00 0.00 N ATOM 992 CA LEU A 65 5.030 -6.246 12.735 1.00 0.00 C ATOM 993 C LEU A 65 4.402 -7.321 11.836 1.00 0.00 C ATOM 994 O LEU A 65 3.276 -7.171 11.356 1.00 0.00 O ATOM 995 CB LEU A 65 4.568 -6.390 14.206 1.00 0.00 C ATOM 996 CG LEU A 65 5.565 -7.048 15.179 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.959 -8.481 14.807 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.818 -6.183 15.323 1.00 0.00 C ATOM 0 H LEU A 65 3.715 -4.651 12.510 1.00 0.00 H new ATOM 0 HA LEU A 65 6.111 -6.381 12.692 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.325 -5.398 14.586 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.646 -6.971 14.218 1.00 0.00 H new ATOM 0 HG LEU A 65 5.041 -7.118 16.132 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.663 -8.868 15.544 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.069 -9.110 14.790 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.426 -8.486 13.822 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.513 -6.661 16.014 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.295 -6.069 14.350 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.541 -5.202 15.709 1.00 0.00 H new ATOM 1010 N ILE A 66 5.135 -8.413 11.631 1.00 0.00 N ATOM 1011 CA ILE A 66 4.746 -9.551 10.770 1.00 0.00 C ATOM 1012 C ILE A 66 4.782 -10.892 11.532 1.00 0.00 C ATOM 1013 O ILE A 66 4.584 -10.920 12.746 1.00 0.00 O ATOM 1014 CB ILE A 66 5.570 -9.533 9.464 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.081 -9.771 9.711 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.307 -8.221 8.700 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.623 -10.995 8.967 1.00 0.00 C ATOM 0 H ILE A 66 6.047 -8.544 12.069 1.00 0.00 H new ATOM 0 HA ILE A 66 3.702 -9.439 10.477 1.00 0.00 H new ATOM 0 HB ILE A 66 5.241 -10.367 8.845 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.638 -8.887 9.400 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.254 -9.896 10.780 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.890 -8.213 7.779 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.247 -8.147 8.458 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.598 -7.374 9.321 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.686 -11.109 9.180 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.089 -11.887 9.296 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.480 -10.862 7.895 1.00 0.00 H new ATOM 1029 N ALA A 67 5.046 -12.010 10.845 1.00 0.00 N ATOM 1030 CA ALA A 67 5.137 -13.356 11.419 1.00 0.00 C ATOM 1031 C ALA A 67 6.209 -13.532 12.522 1.00 0.00 C ATOM 1032 O ALA A 67 6.145 -14.502 13.283 1.00 0.00 O ATOM 1033 CB ALA A 67 5.426 -14.319 10.260 1.00 0.00 C ATOM 0 H ALA A 67 5.208 -12.001 9.838 1.00 0.00 H new ATOM 0 HA ALA A 67 4.191 -13.560 11.921 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.502 -15.337 10.643 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.617 -14.265 9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.365 -14.040 9.781 1.00 0.00 H new ATOM 1039 N GLY A 68 7.177 -12.612 12.624 1.00 0.00 N ATOM 1040 CA GLY A 68 8.228 -12.639 13.649 1.00 0.00 C ATOM 1041 C GLY A 68 9.257 -11.502 13.607 1.00 0.00 C ATOM 1042 O GLY A 68 10.292 -11.618 14.265 1.00 0.00 O ATOM 0 H GLY A 68 7.253 -11.818 11.989 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.749 -12.629 14.628 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.762 -13.585 13.565 1.00 0.00 H new ATOM 1046 N PHE A 69 9.005 -10.424 12.848 1.00 0.00 N ATOM 1047 CA PHE A 69 9.982 -9.372 12.537 1.00 0.00 C ATOM 1048 C PHE A 69 9.319 -7.993 12.388 1.00 0.00 C ATOM 1049 O PHE A 69 8.127 -7.890 12.088 1.00 0.00 O ATOM 1050 CB PHE A 69 10.745 -9.746 11.249 1.00 0.00 C ATOM 1051 CG PHE A 69 11.534 -11.043 11.329 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.727 -11.092 12.076 1.00 0.00 C ATOM 1053 CD2 PHE A 69 11.069 -12.207 10.683 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.452 -12.293 12.176 1.00 0.00 C ATOM 1055 CE2 PHE A 69 11.801 -13.404 10.774 1.00 0.00 C ATOM 1056 CZ PHE A 69 12.992 -13.449 11.520 1.00 0.00 C ATOM 0 H PHE A 69 8.093 -10.257 12.424 1.00 0.00 H new ATOM 0 HA PHE A 69 10.680 -9.301 13.371 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.031 -9.822 10.429 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.430 -8.935 11.001 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.087 -10.204 12.574 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.149 -12.179 10.118 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.362 -12.328 12.757 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.448 -14.291 10.270 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.553 -14.370 11.589 1.00 0.00 H new ATOM 1066 N LEU A 70 10.112 -6.933 12.570 1.00 0.00 N ATOM 1067 CA LEU A 70 9.711 -5.543 12.349 1.00 0.00 C ATOM 1068 C LEU A 70 10.211 -5.121 10.962 1.00 0.00 C ATOM 1069 O LEU A 70 11.409 -5.182 10.673 1.00 0.00 O ATOM 1070 CB LEU A 70 10.308 -4.665 13.470 1.00 0.00 C ATOM 1071 CG LEU A 70 9.762 -3.230 13.661 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.792 -2.357 12.402 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.342 -3.218 14.236 1.00 0.00 C ATOM 0 H LEU A 70 11.078 -7.022 12.884 1.00 0.00 H new ATOM 0 HA LEU A 70 8.628 -5.427 12.379 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.176 -5.197 14.412 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.381 -4.590 13.294 1.00 0.00 H new ATOM 0 HG LEU A 70 10.458 -2.791 14.376 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.390 -1.371 12.634 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.820 -2.257 12.053 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.187 -2.821 11.623 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.005 -2.188 14.351 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.671 -3.746 13.559 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.339 -3.711 15.208 1.00 0.00 H new ATOM 1085 N TYR A 71 9.290 -4.652 10.132 1.00 0.00 N ATOM 1086 CA TYR A 71 9.580 -4.023 8.841 1.00 0.00 C ATOM 1087 C TYR A 71 9.274 -2.518 8.863 1.00 0.00 C ATOM 1088 O TYR A 71 8.189 -2.090 9.258 1.00 0.00 O ATOM 1089 CB TYR A 71 8.797 -4.725 7.725 1.00 0.00 C ATOM 1090 CG TYR A 71 9.300 -6.106 7.351 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.648 -6.318 7.006 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.398 -7.181 7.310 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.091 -7.602 6.640 1.00 0.00 C ATOM 1094 CE2 TYR A 71 8.841 -8.473 6.992 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.193 -8.692 6.645 1.00 0.00 C ATOM 1096 OH TYR A 71 10.627 -9.933 6.300 1.00 0.00 O ATOM 0 H TYR A 71 8.292 -4.697 10.339 1.00 0.00 H new ATOM 0 HA TYR A 71 10.646 -4.132 8.644 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.754 -4.807 8.031 1.00 0.00 H new ATOM 0 HB3 TYR A 71 8.820 -4.095 6.836 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.344 -5.493 7.022 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.353 -7.011 7.525 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.121 -7.755 6.354 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.148 -9.301 7.012 1.00 0.00 H new ATOM 0 HH TYR A 71 9.882 -10.568 6.357 1.00 0.00 H new ATOM 1106 N VAL A 72 10.240 -1.727 8.401 1.00 0.00 N ATOM 1107 CA VAL A 72 10.107 -0.296 8.121 1.00 0.00 C ATOM 1108 C VAL A 72 9.615 -0.170 6.680 1.00 0.00 C ATOM 1109 O VAL A 72 10.308 -0.584 5.753 1.00 0.00 O ATOM 1110 CB VAL A 72 11.443 0.459 8.303 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.245 1.975 8.145 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.093 0.175 9.667 1.00 0.00 C ATOM 0 H VAL A 72 11.177 -2.079 8.203 1.00 0.00 H new ATOM 0 HA VAL A 72 9.405 0.154 8.823 1.00 0.00 H new ATOM 0 HB VAL A 72 12.111 0.093 7.523 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.200 2.483 8.278 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.856 2.189 7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.538 2.330 8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.029 0.728 9.746 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.418 0.487 10.464 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.294 -0.892 9.759 1.00 0.00 H new ATOM 1122 N ALA A 73 8.412 0.369 6.496 1.00 0.00 N ATOM 1123 CA ALA A 73 7.794 0.624 5.200 1.00 0.00 C ATOM 1124 C ALA A 73 8.012 2.091 4.808 1.00 0.00 C ATOM 1125 O ALA A 73 7.487 2.999 5.452 1.00 0.00 O ATOM 1126 CB ALA A 73 6.307 0.257 5.292 1.00 0.00 C ATOM 0 H ALA A 73 7.819 0.650 7.277 1.00 0.00 H new ATOM 0 HA ALA A 73 8.248 0.013 4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.827 0.441 4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.208 -0.797 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.829 0.866 6.059 1.00 0.00 H new ATOM 1132 N ASP A 74 8.796 2.325 3.759 1.00 0.00 N ATOM 1133 CA ASP A 74 9.098 3.644 3.208 1.00 0.00 C ATOM 1134 C ASP A 74 8.060 4.037 2.148 1.00 0.00 C ATOM 1135 O ASP A 74 7.893 3.355 1.129 1.00 0.00 O ATOM 1136 CB ASP A 74 10.529 3.649 2.659 1.00 0.00 C ATOM 1137 CG ASP A 74 10.955 5.058 2.234 1.00 0.00 C ATOM 1138 OD1 ASP A 74 10.542 5.486 1.132 1.00 0.00 O ATOM 1139 OD2 ASP A 74 11.693 5.726 2.992 1.00 0.00 O ATOM 0 H ASP A 74 9.257 1.571 3.249 1.00 0.00 H new ATOM 0 HA ASP A 74 9.039 4.397 3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.214 3.273 3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.597 2.973 1.806 1.00 0.00 H new ATOM 1144 N LEU A 75 7.364 5.147 2.409 1.00 0.00 N ATOM 1145 CA LEU A 75 6.227 5.647 1.631 1.00 0.00 C ATOM 1146 C LEU A 75 6.658 6.509 0.425 1.00 0.00 C ATOM 1147 O LEU A 75 5.823 6.824 -0.422 1.00 0.00 O ATOM 1148 CB LEU A 75 5.287 6.430 2.581 1.00 0.00 C ATOM 1149 CG LEU A 75 4.270 5.600 3.396 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.826 4.426 4.205 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.506 6.544 4.338 1.00 0.00 C ATOM 0 H LEU A 75 7.587 5.748 3.203 1.00 0.00 H new ATOM 0 HA LEU A 75 5.699 4.795 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.904 6.993 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.733 7.157 1.987 1.00 0.00 H new ATOM 0 HG LEU A 75 3.631 5.132 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.011 3.927 4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.311 3.718 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.552 4.795 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.784 5.971 4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.209 7.033 5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.982 7.298 3.751 1.00 0.00 H new ATOM 1163 N GLU A 76 7.943 6.870 0.316 1.00 0.00 N ATOM 1164 CA GLU A 76 8.480 7.716 -0.759 1.00 0.00 C ATOM 1165 C GLU A 76 9.034 6.876 -1.918 1.00 0.00 C ATOM 1166 O GLU A 76 8.718 7.114 -3.085 1.00 0.00 O ATOM 1167 CB GLU A 76 9.607 8.596 -0.201 1.00 0.00 C ATOM 1168 CG GLU A 76 9.154 9.573 0.888 1.00 0.00 C ATOM 1169 CD GLU A 76 8.247 10.684 0.338 1.00 0.00 C ATOM 1170 OE1 GLU A 76 8.751 11.576 -0.386 1.00 0.00 O ATOM 1171 OE2 GLU A 76 7.031 10.685 0.640 1.00 0.00 O ATOM 0 H GLU A 76 8.654 6.576 0.986 1.00 0.00 H new ATOM 0 HA GLU A 76 7.664 8.331 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.389 7.954 0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.052 9.162 -1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.622 9.025 1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.030 10.022 1.357 1.00 0.00 H new ATOM 1178 N ASN A 77 9.843 5.868 -1.587 1.00 0.00 N ATOM 1179 CA ASN A 77 10.462 4.925 -2.522 1.00 0.00 C ATOM 1180 C ASN A 77 9.558 3.707 -2.801 1.00 0.00 C ATOM 1181 O ASN A 77 9.836 2.926 -3.711 1.00 0.00 O ATOM 1182 CB ASN A 77 11.805 4.461 -1.930 1.00 0.00 C ATOM 1183 CG ASN A 77 12.796 5.604 -1.721 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.592 5.927 -2.595 1.00 0.00 O ATOM 1185 ND2 ASN A 77 12.787 6.233 -0.559 1.00 0.00 N ATOM 0 H ASN A 77 10.096 5.678 -0.617 1.00 0.00 H new ATOM 0 HA ASN A 77 10.616 5.432 -3.475 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.623 3.967 -0.975 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.250 3.719 -2.593 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.445 6.993 -0.385 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.122 5.959 0.164 1.00 0.00 H new ATOM 1192 N MET A 78 8.497 3.537 -1.995 1.00 0.00 N ATOM 1193 CA MET A 78 7.569 2.394 -1.998 1.00 0.00 C ATOM 1194 C MET A 78 8.314 1.058 -1.822 1.00 0.00 C ATOM 1195 O MET A 78 8.213 0.154 -2.654 1.00 0.00 O ATOM 1196 CB MET A 78 6.656 2.400 -3.242 1.00 0.00 C ATOM 1197 CG MET A 78 5.761 3.640 -3.391 1.00 0.00 C ATOM 1198 SD MET A 78 4.030 3.425 -2.877 1.00 0.00 S ATOM 1199 CE MET A 78 4.185 3.624 -1.087 1.00 0.00 C ATOM 0 H MET A 78 8.251 4.229 -1.287 1.00 0.00 H new ATOM 0 HA MET A 78 6.914 2.504 -1.133 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.280 2.313 -4.131 1.00 0.00 H new ATOM 0 HB3 MET A 78 6.021 1.515 -3.211 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.196 4.452 -2.809 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.775 3.953 -4.435 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.197 3.768 -0.650 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.644 2.732 -0.660 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.808 4.492 -0.870 1.00 0.00 H new ATOM 1209 N VAL A 79 9.034 0.906 -0.709 1.00 0.00 N ATOM 1210 CA VAL A 79 9.763 -0.331 -0.342 1.00 0.00 C ATOM 1211 C VAL A 79 9.633 -0.638 1.152 1.00 0.00 C ATOM 1212 O VAL A 79 9.299 0.240 1.941 1.00 0.00 O ATOM 1213 CB VAL A 79 11.268 -0.298 -0.725 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.504 -0.228 -2.240 1.00 0.00 C ATOM 1215 CG2 VAL A 79 12.023 0.838 -0.016 1.00 0.00 C ATOM 0 H VAL A 79 9.135 1.649 -0.017 1.00 0.00 H new ATOM 0 HA VAL A 79 9.290 -1.122 -0.924 1.00 0.00 H new ATOM 0 HB VAL A 79 11.672 -1.249 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.575 -0.208 -2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 79 11.062 -1.102 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.043 0.676 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.071 0.821 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.582 1.796 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.952 0.704 1.063 1.00 0.00 H new ATOM 1225 N GLN A 80 9.942 -1.873 1.544 1.00 0.00 N ATOM 1226 CA GLN A 80 10.047 -2.319 2.933 1.00 0.00 C ATOM 1227 C GLN A 80 11.423 -2.942 3.212 1.00 0.00 C ATOM 1228 O GLN A 80 12.016 -3.573 2.336 1.00 0.00 O ATOM 1229 CB GLN A 80 8.911 -3.305 3.264 1.00 0.00 C ATOM 1230 CG GLN A 80 8.884 -4.505 2.299 1.00 0.00 C ATOM 1231 CD GLN A 80 8.163 -5.722 2.852 1.00 0.00 C ATOM 1232 OE1 GLN A 80 7.110 -6.113 2.377 1.00 0.00 O ATOM 1233 NE2 GLN A 80 8.715 -6.391 3.841 1.00 0.00 N ATOM 0 H GLN A 80 10.134 -2.620 0.877 1.00 0.00 H new ATOM 0 HA GLN A 80 9.945 -1.449 3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.031 -3.665 4.286 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.955 -2.783 3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.403 -4.201 1.370 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.908 -4.783 2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.596 -6.071 4.244 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.262 -7.230 4.205 1.00 0.00 H new ATOM 1242 N TYR A 81 11.918 -2.789 4.443 1.00 0.00 N ATOM 1243 CA TYR A 81 13.197 -3.332 4.929 1.00 0.00 C ATOM 1244 C TYR A 81 13.220 -3.477 6.462 1.00 0.00 C ATOM 1245 O TYR A 81 12.417 -2.859 7.164 1.00 0.00 O ATOM 1246 CB TYR A 81 14.364 -2.461 4.429 1.00 0.00 C ATOM 1247 CG TYR A 81 14.198 -0.961 4.610 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.344 -0.366 5.879 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.904 -0.153 3.493 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.210 1.028 6.031 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.771 1.239 3.635 1.00 0.00 C ATOM 1252 CZ TYR A 81 13.922 1.836 4.908 1.00 0.00 C ATOM 1253 OH TYR A 81 13.791 3.185 5.046 1.00 0.00 O ATOM 0 H TYR A 81 11.421 -2.262 5.161 1.00 0.00 H new ATOM 0 HA TYR A 81 13.312 -4.337 4.522 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.272 -2.772 4.947 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.516 -2.665 3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.560 -0.982 6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.780 -0.607 2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.327 1.479 7.005 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.554 1.852 2.773 1.00 0.00 H new ATOM 0 HH TYR A 81 13.594 3.586 4.173 1.00 0.00 H new ATOM 1263 N ARG A 82 14.137 -4.286 7.001 1.00 0.00 N ATOM 1264 CA ARG A 82 14.334 -4.454 8.453 1.00 0.00 C ATOM 1265 C ARG A 82 15.107 -3.255 9.035 1.00 0.00 C ATOM 1266 O ARG A 82 15.936 -2.670 8.337 1.00 0.00 O ATOM 1267 CB ARG A 82 15.050 -5.790 8.739 1.00 0.00 C ATOM 1268 CG ARG A 82 14.267 -6.991 8.177 1.00 0.00 C ATOM 1269 CD ARG A 82 14.910 -8.332 8.544 1.00 0.00 C ATOM 1270 NE ARG A 82 14.249 -9.441 7.838 1.00 0.00 N ATOM 1271 CZ ARG A 82 14.148 -10.703 8.222 1.00 0.00 C ATOM 1272 NH1 ARG A 82 14.637 -11.168 9.351 1.00 0.00 N ATOM 1273 NH2 ARG A 82 13.541 -11.528 7.417 1.00 0.00 N ATOM 0 H ARG A 82 14.773 -4.851 6.439 1.00 0.00 H new ATOM 0 HA ARG A 82 13.362 -4.484 8.945 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.047 -5.769 8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.178 -5.911 9.815 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.246 -6.965 8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.206 -6.906 7.092 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.970 -8.314 8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.843 -8.490 9.620 1.00 0.00 H new ATOM 0 HE ARG A 82 13.816 -9.209 6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.129 -10.543 9.990 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.524 -12.154 9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.166 -11.192 6.530 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.441 -12.510 7.674 1.00 0.00 H new ATOM 1287 N ARG A 83 14.872 -2.891 10.304 1.00 0.00 N ATOM 1288 CA ARG A 83 15.406 -1.657 10.933 1.00 0.00 C ATOM 1289 C ARG A 83 16.933 -1.457 10.828 1.00 0.00 C ATOM 1290 O ARG A 83 17.393 -0.317 10.764 1.00 0.00 O ATOM 1291 CB ARG A 83 15.002 -1.606 12.417 1.00 0.00 C ATOM 1292 CG ARG A 83 13.546 -1.154 12.618 1.00 0.00 C ATOM 1293 CD ARG A 83 13.108 -1.226 14.092 1.00 0.00 C ATOM 1294 NE ARG A 83 14.011 -0.484 14.995 1.00 0.00 N ATOM 1295 CZ ARG A 83 13.946 0.800 15.332 1.00 0.00 C ATOM 1296 NH1 ARG A 83 12.970 1.593 14.944 1.00 0.00 N ATOM 1297 NH2 ARG A 83 14.890 1.317 16.088 1.00 0.00 N ATOM 0 H ARG A 83 14.299 -3.448 10.938 1.00 0.00 H new ATOM 0 HA ARG A 83 14.960 -0.845 10.359 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.137 -2.592 12.861 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.667 -0.924 12.948 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.433 -0.132 12.258 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.888 -1.779 12.015 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.098 -0.826 14.186 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.067 -2.270 14.404 1.00 0.00 H new ATOM 0 HE ARG A 83 14.774 -1.020 15.409 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.219 1.228 14.358 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.965 2.572 15.229 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.662 0.734 16.410 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.850 2.301 16.352 1.00 0.00 H new ATOM 1311 N ASN A 84 17.715 -2.541 10.793 1.00 0.00 N ATOM 1312 CA ASN A 84 19.186 -2.505 10.699 1.00 0.00 C ATOM 1313 C ASN A 84 19.727 -2.578 9.249 1.00 0.00 C ATOM 1314 O ASN A 84 20.940 -2.508 9.041 1.00 0.00 O ATOM 1315 CB ASN A 84 19.767 -3.626 11.576 1.00 0.00 C ATOM 1316 CG ASN A 84 19.477 -3.391 13.056 1.00 0.00 C ATOM 1317 OD1 ASN A 84 19.964 -2.444 13.663 1.00 0.00 O ATOM 1318 ND2 ASN A 84 18.667 -4.230 13.674 1.00 0.00 N ATOM 0 H ASN A 84 17.340 -3.489 10.830 1.00 0.00 H new ATOM 0 HA ASN A 84 19.515 -1.532 11.065 1.00 0.00 H new ATOM 0 HB2 ASN A 84 19.345 -4.583 11.270 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.844 -3.688 11.421 1.00 0.00 H new ATOM 0 HD21 ASN A 84 18.445 -4.091 14.660 1.00 0.00 H new ATOM 0 HD22 ASN A 84 18.263 -5.017 13.166 1.00 0.00 H new ATOM 1325 N GLU A 85 18.850 -2.750 8.255 1.00 0.00 N ATOM 1326 CA GLU A 85 19.181 -2.969 6.844 1.00 0.00 C ATOM 1327 C GLU A 85 18.957 -1.702 5.993 1.00 0.00 C ATOM 1328 O GLU A 85 18.144 -0.839 6.329 1.00 0.00 O ATOM 1329 CB GLU A 85 18.351 -4.168 6.350 1.00 0.00 C ATOM 1330 CG GLU A 85 18.657 -4.634 4.924 1.00 0.00 C ATOM 1331 CD GLU A 85 20.146 -4.932 4.699 1.00 0.00 C ATOM 1332 OE1 GLU A 85 20.636 -5.986 5.166 1.00 0.00 O ATOM 1333 OE2 GLU A 85 20.821 -4.099 4.051 1.00 0.00 O ATOM 0 H GLU A 85 17.844 -2.740 8.420 1.00 0.00 H new ATOM 0 HA GLU A 85 20.243 -3.193 6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.512 -5.005 7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.295 -3.907 6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.076 -5.530 4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.335 -3.867 4.220 1.00 0.00 H new ATOM 1340 N HIS A 86 19.686 -1.594 4.879 1.00 0.00 N ATOM 1341 CA HIS A 86 19.640 -0.476 3.928 1.00 0.00 C ATOM 1342 C HIS A 86 19.622 -0.926 2.445 1.00 0.00 C ATOM 1343 O HIS A 86 18.990 -0.271 1.610 1.00 0.00 O ATOM 1344 CB HIS A 86 20.845 0.423 4.248 1.00 0.00 C ATOM 1345 CG HIS A 86 21.120 1.482 3.218 1.00 0.00 C ATOM 1346 ND1 HIS A 86 20.575 2.767 3.189 1.00 0.00 N ATOM 1347 CD2 HIS A 86 21.942 1.319 2.144 1.00 0.00 C ATOM 1348 CE1 HIS A 86 21.089 3.348 2.091 1.00 0.00 C ATOM 1349 NE2 HIS A 86 21.914 2.503 1.443 1.00 0.00 N ATOM 0 H HIS A 86 20.354 -2.313 4.602 1.00 0.00 H new ATOM 0 HA HIS A 86 18.703 0.068 4.046 1.00 0.00 H new ATOM 0 HB2 HIS A 86 20.678 0.905 5.211 1.00 0.00 H new ATOM 0 HB3 HIS A 86 21.731 -0.202 4.354 1.00 0.00 H new ATOM 0 HD2 HIS A 86 22.506 0.433 1.892 1.00 0.00 H new ATOM 0 HE1 HIS A 86 20.870 4.356 1.772 1.00 0.00 H new ATOM 0 HE2 HIS A 86 22.427 2.705 0.585 1.00 0.00 H new ATOM 1357 N GLY A 87 20.286 -2.044 2.111 1.00 0.00 N ATOM 1358 CA GLY A 87 20.438 -2.555 0.741 1.00 0.00 C ATOM 1359 C GLY A 87 19.320 -3.522 0.355 1.00 0.00 C ATOM 1360 O GLY A 87 18.597 -3.275 -0.611 1.00 0.00 O ATOM 0 H GLY A 87 20.744 -2.633 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 87 20.449 -1.718 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 87 21.400 -3.060 0.648 1.00 0.00 H new ATOM 1364 N ARG A 88 19.150 -4.600 1.129 1.00 0.00 N ATOM 1365 CA ARG A 88 18.056 -5.570 0.968 1.00 0.00 C ATOM 1366 C ARG A 88 16.717 -4.905 1.324 1.00 0.00 C ATOM 1367 O ARG A 88 16.460 -4.585 2.486 1.00 0.00 O ATOM 1368 CB ARG A 88 18.361 -6.831 1.803 1.00 0.00 C ATOM 1369 CG ARG A 88 17.210 -7.839 1.985 1.00 0.00 C ATOM 1370 CD ARG A 88 16.698 -8.466 0.684 1.00 0.00 C ATOM 1371 NE ARG A 88 15.672 -9.482 0.972 1.00 0.00 N ATOM 1372 CZ ARG A 88 15.064 -10.288 0.118 1.00 0.00 C ATOM 1373 NH1 ARG A 88 15.271 -10.244 -1.184 1.00 0.00 N ATOM 1374 NH2 ARG A 88 14.226 -11.163 0.612 1.00 0.00 N ATOM 0 H ARG A 88 19.779 -4.828 1.899 1.00 0.00 H new ATOM 0 HA ARG A 88 17.973 -5.893 -0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 88 19.198 -7.352 1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 88 18.693 -6.512 2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.544 -8.636 2.650 1.00 0.00 H new ATOM 0 HG3 ARG A 88 16.380 -7.337 2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.281 -7.692 0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.527 -8.921 0.141 1.00 0.00 H new ATOM 0 HE ARG A 88 15.397 -9.576 1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.926 -9.566 -1.574 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.777 -10.888 -1.801 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.065 -11.203 1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.734 -11.805 -0.009 1.00 0.00 H new ATOM 1388 N ARG A 89 15.867 -4.717 0.311 1.00 0.00 N ATOM 1389 CA ARG A 89 14.530 -4.116 0.413 1.00 0.00 C ATOM 1390 C ARG A 89 13.599 -4.664 -0.677 1.00 0.00 C ATOM 1391 O ARG A 89 14.042 -4.926 -1.798 1.00 0.00 O ATOM 1392 CB ARG A 89 14.627 -2.580 0.413 1.00 0.00 C ATOM 1393 CG ARG A 89 15.079 -1.952 -0.914 1.00 0.00 C ATOM 1394 CD ARG A 89 15.573 -0.522 -0.671 1.00 0.00 C ATOM 1395 NE ARG A 89 15.716 0.224 -1.931 1.00 0.00 N ATOM 1396 CZ ARG A 89 15.999 1.517 -2.050 1.00 0.00 C ATOM 1397 NH1 ARG A 89 16.228 2.283 -1.001 1.00 0.00 N ATOM 1398 NH2 ARG A 89 16.057 2.066 -3.244 1.00 0.00 N ATOM 0 H ARG A 89 16.099 -4.990 -0.644 1.00 0.00 H new ATOM 0 HA ARG A 89 14.082 -4.399 1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.652 -2.171 0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.322 -2.276 1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.875 -2.551 -1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.252 -1.945 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.874 -0.001 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.532 -0.551 -0.154 1.00 0.00 H new ATOM 0 HE ARG A 89 15.585 -0.301 -2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.191 1.886 -0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 89 16.442 3.272 -1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.885 1.500 -4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.274 3.058 -3.339 1.00 0.00 H new ATOM 1412 N ARG A 90 12.322 -4.855 -0.338 1.00 0.00 N ATOM 1413 CA ARG A 90 11.286 -5.438 -1.211 1.00 0.00 C ATOM 1414 C ARG A 90 10.249 -4.368 -1.561 1.00 0.00 C ATOM 1415 O ARG A 90 9.847 -3.594 -0.698 1.00 0.00 O ATOM 1416 CB ARG A 90 10.630 -6.649 -0.518 1.00 0.00 C ATOM 1417 CG ARG A 90 11.582 -7.857 -0.435 1.00 0.00 C ATOM 1418 CD ARG A 90 11.096 -8.946 0.531 1.00 0.00 C ATOM 1419 NE ARG A 90 9.826 -9.570 0.121 1.00 0.00 N ATOM 1420 CZ ARG A 90 9.304 -10.665 0.661 1.00 0.00 C ATOM 1421 NH1 ARG A 90 9.912 -11.365 1.589 1.00 0.00 N ATOM 1422 NH2 ARG A 90 8.128 -11.080 0.259 1.00 0.00 N ATOM 0 H ARG A 90 11.963 -4.601 0.582 1.00 0.00 H new ATOM 0 HA ARG A 90 11.742 -5.790 -2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.317 -6.365 0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.730 -6.934 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.698 -8.288 -1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.567 -7.514 -0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.862 -9.718 0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.975 -8.513 1.524 1.00 0.00 H new ATOM 0 HE ARG A 90 9.307 -9.126 -0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.829 -11.075 1.928 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.468 -12.199 1.972 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.624 -10.563 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.717 -11.920 0.666 1.00 0.00 H new ATOM 1436 N LYS A 91 9.828 -4.303 -2.822 1.00 0.00 N ATOM 1437 CA LYS A 91 8.837 -3.332 -3.312 1.00 0.00 C ATOM 1438 C LYS A 91 7.454 -3.495 -2.658 1.00 0.00 C ATOM 1439 O LYS A 91 6.994 -4.615 -2.417 1.00 0.00 O ATOM 1440 CB LYS A 91 8.710 -3.486 -4.841 1.00 0.00 C ATOM 1441 CG LYS A 91 9.649 -2.598 -5.671 1.00 0.00 C ATOM 1442 CD LYS A 91 9.273 -1.105 -5.668 1.00 0.00 C ATOM 1443 CE LYS A 91 7.872 -0.756 -6.195 1.00 0.00 C ATOM 1444 NZ LYS A 91 7.727 -1.032 -7.652 1.00 0.00 N ATOM 0 H LYS A 91 10.168 -4.932 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 91 9.191 -2.337 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.898 -4.528 -5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.682 -3.266 -5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.664 -2.706 -5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.655 -2.957 -6.700 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.357 -0.733 -4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.008 -0.566 -6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.126 -1.329 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.668 0.298 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.766 -0.780 -7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.419 -0.466 -8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.895 -2.042 -7.832 1.00 0.00 H new ATOM 1458 N ILE A 92 6.760 -2.372 -2.460 1.00 0.00 N ATOM 1459 CA ILE A 92 5.337 -2.300 -2.080 1.00 0.00 C ATOM 1460 C ILE A 92 4.563 -1.442 -3.097 1.00 0.00 C ATOM 1461 O ILE A 92 5.166 -0.777 -3.941 1.00 0.00 O ATOM 1462 CB ILE A 92 5.139 -1.834 -0.613 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.581 -0.380 -0.410 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.873 -2.759 0.366 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.312 0.203 0.977 1.00 0.00 C ATOM 0 H ILE A 92 7.185 -1.450 -2.562 1.00 0.00 H new ATOM 0 HA ILE A 92 4.921 -3.307 -2.113 1.00 0.00 H new ATOM 0 HB ILE A 92 4.071 -1.888 -0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.650 -0.312 -0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.077 0.241 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.716 -2.408 1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.486 -3.773 0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.939 -2.754 0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.663 1.234 1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.242 0.176 1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.840 -0.386 1.728 1.00 0.00 H new ATOM 1477 N LYS A 93 3.232 -1.455 -3.024 1.00 0.00 N ATOM 1478 CA LYS A 93 2.338 -0.619 -3.837 1.00 0.00 C ATOM 1479 C LYS A 93 0.974 -0.387 -3.160 1.00 0.00 C ATOM 1480 O LYS A 93 0.611 -1.086 -2.210 1.00 0.00 O ATOM 1481 CB LYS A 93 2.176 -1.196 -5.265 1.00 0.00 C ATOM 1482 CG LYS A 93 1.350 -2.493 -5.319 1.00 0.00 C ATOM 1483 CD LYS A 93 0.925 -2.854 -6.748 1.00 0.00 C ATOM 1484 CE LYS A 93 0.080 -4.137 -6.731 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.688 -4.311 -7.989 1.00 0.00 N ATOM 0 H LYS A 93 2.728 -2.064 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 93 2.810 0.359 -3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.701 -0.447 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.164 -1.387 -5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.935 -3.311 -4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.463 -2.382 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.352 -2.036 -7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.806 -2.996 -7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.731 -4.998 -6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.609 -4.107 -5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.995 -5.301 -8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.522 -3.690 -7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.086 -4.064 -8.800 1.00 0.00 H new ATOM 1499 N ARG A 94 0.206 0.560 -3.708 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.201 0.824 -3.384 1.00 0.00 C ATOM 1501 C ARG A 94 -2.083 0.492 -4.594 1.00 0.00 C ATOM 1502 O ARG A 94 -1.673 0.695 -5.740 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.372 2.298 -2.983 1.00 0.00 C ATOM 1504 CG ARG A 94 -0.553 2.654 -1.730 1.00 0.00 C ATOM 1505 CD ARG A 94 -0.725 4.119 -1.318 1.00 0.00 C ATOM 1506 NE ARG A 94 -2.077 4.386 -0.794 1.00 0.00 N ATOM 1507 CZ ARG A 94 -2.502 5.537 -0.289 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -1.719 6.593 -0.202 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -3.741 5.639 0.139 1.00 0.00 N ATOM 0 H ARG A 94 0.564 1.193 -4.423 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.505 0.195 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.064 2.937 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.426 2.503 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.857 2.009 -0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.502 2.454 -1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.015 4.372 -0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.534 4.763 -2.177 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.746 3.616 -0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.754 6.541 -0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.078 7.463 0.192 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.368 4.837 0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.075 6.521 0.529 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.290 -0.010 -4.350 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.245 -0.441 -5.376 1.00 0.00 C ATOM 1525 C ASP A 95 -5.706 -0.336 -4.897 1.00 0.00 C ATOM 1526 O ASP A 95 -5.980 0.035 -3.752 1.00 0.00 O ATOM 1527 CB ASP A 95 -3.921 -1.882 -5.830 1.00 0.00 C ATOM 1528 CG ASP A 95 -3.931 -2.029 -7.357 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -4.937 -1.619 -7.983 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -2.941 -2.566 -7.912 1.00 0.00 O ATOM 0 H ASP A 95 -3.646 -0.134 -3.402 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.142 0.235 -6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.942 -2.170 -5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.648 -2.569 -5.397 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.645 -0.679 -5.779 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.098 -0.583 -5.578 1.00 0.00 C ATOM 1537 C ILE A 96 -8.762 -1.913 -5.941 1.00 0.00 C ATOM 1538 O ILE A 96 -8.430 -2.543 -6.947 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.685 0.557 -6.444 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -7.997 1.914 -6.192 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.208 0.705 -6.227 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.272 2.479 -4.800 1.00 0.00 C ATOM 0 H ILE A 96 -6.405 -1.050 -6.699 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.295 -0.361 -4.529 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.493 0.271 -7.478 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.921 1.799 -6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.335 2.630 -6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.587 1.515 -6.850 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.706 -0.226 -6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.406 0.931 -5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.759 3.434 -4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.345 2.625 -4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.909 1.781 -4.046 1.00 0.00 H new ATOM 1554 N ILE A 97 -9.730 -2.321 -5.126 1.00 0.00 N ATOM 1555 CA ILE A 97 -10.578 -3.499 -5.386 1.00 0.00 C ATOM 1556 C ILE A 97 -11.816 -3.110 -6.213 1.00 0.00 C ATOM 1557 O ILE A 97 -12.438 -2.080 -5.959 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.000 -4.185 -4.075 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -9.811 -4.619 -3.194 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -11.891 -5.399 -4.363 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.392 -3.526 -2.207 1.00 0.00 C ATOM 0 H ILE A 97 -9.957 -1.843 -4.254 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.987 -4.210 -5.962 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.556 -3.434 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.080 -5.520 -2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.964 -4.875 -3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.179 -5.870 -3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -12.785 -5.076 -4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.343 -6.115 -4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.552 -3.878 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.097 -2.633 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.229 -3.288 -1.551 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.201 -3.974 -7.158 1.00 0.00 N ATOM 1574 CA ASP A 98 -13.347 -3.765 -8.062 1.00 0.00 C ATOM 1575 C ASP A 98 -14.619 -4.574 -7.706 1.00 0.00 C ATOM 1576 O ASP A 98 -15.707 -4.230 -8.166 1.00 0.00 O ATOM 1577 CB ASP A 98 -12.880 -4.045 -9.500 1.00 0.00 C ATOM 1578 CG ASP A 98 -13.900 -3.610 -10.568 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -14.122 -2.386 -10.727 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -14.430 -4.494 -11.285 1.00 0.00 O ATOM 0 H ASP A 98 -11.718 -4.857 -7.323 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.665 -2.729 -7.949 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -11.937 -3.527 -9.676 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.683 -5.111 -9.609 1.00 0.00 H new ATOM 1585 N ILE A 99 -14.483 -5.604 -6.855 1.00 0.00 N ATOM 1586 CA ILE A 99 -15.540 -6.435 -6.220 1.00 0.00 C ATOM 1587 C ILE A 99 -16.196 -7.441 -7.210 1.00 0.00 C ATOM 1588 O ILE A 99 -16.651 -7.036 -8.288 1.00 0.00 O ATOM 1589 CB ILE A 99 -16.604 -5.571 -5.482 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.002 -4.554 -4.482 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -17.663 -6.431 -4.765 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.354 -5.171 -3.233 1.00 0.00 C ATOM 0 H ILE A 99 -13.555 -5.909 -6.563 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.034 -7.035 -5.464 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.085 -5.002 -6.277 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.254 -3.956 -5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -16.790 -3.872 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.382 -5.781 -4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.182 -7.053 -5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.176 -7.068 -4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -14.963 -4.377 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.100 -5.744 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.539 -5.830 -3.534 1.00 0.00 H new