USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 513 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 54 SER OG : rot 180:sc= -0.55 USER MOD Set 1.2: A 56 SER OG : rot 180:sc=-0.00128 USER MOD Single : A 17 SER OG : rot -10:sc= -2.25! USER MOD Single : A 18 GLN : amide:sc= -0.758 K(o=-0.76,f=-2!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.1 K(o=-0.1,f=-2.3!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 92:sc= -0.115 USER MOD Single : A 44 ASN : amide:sc= -1.27 K(o=-1.3,f=-13!) USER MOD Single : A 48 CYS SG : rot -153:sc= 0.169 USER MOD Single : A 50 GLN : amide:sc= -9.68! C(o=-9.7!,f=-15!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= -4.04! C(o=-4!,f=-3.1!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -12.4! C(o=-12!,f=-23!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0265 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD ----------------------------------------------------------------- ATOM 170 N TRP A 13 -6.896 -7.297 -1.336 1.00 0.00 N ATOM 171 CA TRP A 13 -5.913 -8.085 -0.601 1.00 0.00 C ATOM 172 C TRP A 13 -6.521 -8.662 0.673 1.00 0.00 C ATOM 173 O TRP A 13 -7.535 -8.171 1.166 1.00 0.00 O ATOM 174 CB TRP A 13 -4.695 -7.226 -0.256 1.00 0.00 C ATOM 175 CG TRP A 13 -3.927 -6.774 -1.461 1.00 0.00 C ATOM 176 CD1 TRP A 13 -3.995 -5.551 -2.064 1.00 0.00 C ATOM 177 CD2 TRP A 13 -2.976 -7.540 -2.208 1.00 0.00 C ATOM 178 NE1 TRP A 13 -3.144 -5.511 -3.143 1.00 0.00 N ATOM 179 CE2 TRP A 13 -2.507 -6.718 -3.252 1.00 0.00 C ATOM 180 CE3 TRP A 13 -2.474 -8.840 -2.097 1.00 0.00 C ATOM 181 CZ2 TRP A 13 -1.562 -7.156 -4.176 1.00 0.00 C ATOM 182 CZ3 TRP A 13 -1.537 -9.273 -3.015 1.00 0.00 C ATOM 183 CH2 TRP A 13 -1.088 -8.433 -4.043 1.00 0.00 C ATOM 0 HA TRP A 13 -5.597 -8.912 -1.237 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -5.023 -6.352 0.306 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.032 -7.794 0.397 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.625 -4.735 -1.741 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -3.009 -4.712 -3.762 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.813 -9.494 -1.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.215 -6.511 -4.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.144 -10.276 -2.939 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.353 -8.801 -4.744 1.00 0.00 H new ATOM 194 N GLY A 14 -5.894 -9.709 1.201 1.00 0.00 N ATOM 195 CA GLY A 14 -6.388 -10.335 2.413 1.00 0.00 C ATOM 196 C GLY A 14 -5.620 -9.900 3.645 1.00 0.00 C ATOM 197 O GLY A 14 -4.764 -9.017 3.590 1.00 0.00 O ATOM 0 H GLY A 14 -5.053 -10.134 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.442 -10.090 2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.322 -11.418 2.311 1.00 0.00 H new ATOM 201 N PRO A 15 -5.926 -10.528 4.791 1.00 0.00 N ATOM 202 CA PRO A 15 -5.270 -10.216 6.064 1.00 0.00 C ATOM 203 C PRO A 15 -3.814 -10.667 6.092 1.00 0.00 C ATOM 204 O PRO A 15 -2.925 -9.903 6.467 1.00 0.00 O ATOM 205 CB PRO A 15 -6.093 -11.002 7.088 1.00 0.00 C ATOM 206 CG PRO A 15 -6.689 -12.126 6.314 1.00 0.00 C ATOM 207 CD PRO A 15 -6.935 -11.591 4.930 1.00 0.00 C ATOM 0 HA PRO A 15 -5.238 -9.143 6.254 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.467 -11.370 7.901 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.865 -10.378 7.538 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.015 -12.982 6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.618 -12.466 6.772 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.811 -12.365 4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.947 -11.201 4.824 1.00 0.00 H new ATOM 215 N ALA A 16 -3.577 -11.912 5.693 1.00 0.00 N ATOM 216 CA ALA A 16 -2.228 -12.464 5.670 1.00 0.00 C ATOM 217 C ALA A 16 -1.444 -11.948 4.468 1.00 0.00 C ATOM 218 O ALA A 16 -0.279 -11.570 4.590 1.00 0.00 O ATOM 219 CB ALA A 16 -2.280 -13.984 5.655 1.00 0.00 C ATOM 0 H ALA A 16 -4.302 -12.558 5.381 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.713 -12.138 6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.266 -14.383 5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.794 -14.339 6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.817 -14.321 4.768 1.00 0.00 H new ATOM 225 N SER A 17 -2.091 -11.935 3.306 1.00 0.00 N ATOM 226 CA SER A 17 -1.453 -11.469 2.081 1.00 0.00 C ATOM 227 C SER A 17 -0.876 -10.069 2.267 1.00 0.00 C ATOM 228 O SER A 17 0.327 -9.857 2.119 1.00 0.00 O ATOM 229 CB SER A 17 -2.456 -11.471 0.926 1.00 0.00 C ATOM 230 OG SER A 17 -2.586 -12.766 0.366 1.00 0.00 O ATOM 0 H SER A 17 -3.057 -12.242 3.188 1.00 0.00 H new ATOM 0 HA SER A 17 -0.636 -12.151 1.844 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.427 -11.126 1.283 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.132 -10.770 0.157 1.00 0.00 H new ATOM 0 HG SER A 17 -1.889 -13.351 0.730 1.00 0.00 H new ATOM 236 N GLN A 18 -1.745 -9.117 2.592 1.00 0.00 N ATOM 237 CA GLN A 18 -1.323 -7.736 2.797 1.00 0.00 C ATOM 238 C GLN A 18 -0.065 -7.674 3.656 1.00 0.00 C ATOM 239 O GLN A 18 0.958 -7.132 3.236 1.00 0.00 O ATOM 240 CB GLN A 18 -2.445 -6.931 3.456 1.00 0.00 C ATOM 241 CG GLN A 18 -3.514 -6.467 2.480 1.00 0.00 C ATOM 242 CD GLN A 18 -4.229 -5.215 2.949 1.00 0.00 C ATOM 243 OE1 GLN A 18 -3.679 -4.421 3.713 1.00 0.00 O ATOM 244 NE2 GLN A 18 -5.463 -5.031 2.493 1.00 0.00 N ATOM 0 H GLN A 18 -2.744 -9.276 2.719 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.098 -7.302 1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.911 -7.540 4.230 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.014 -6.061 3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.056 -6.277 1.509 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.242 -7.265 2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.880 -5.714 1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.993 -4.206 2.774 1.00 0.00 H new ATOM 253 N GLN A 19 -0.147 -8.231 4.860 1.00 0.00 N ATOM 254 CA GLN A 19 0.986 -8.237 5.778 1.00 0.00 C ATOM 255 C GLN A 19 2.272 -8.620 5.053 1.00 0.00 C ATOM 256 O GLN A 19 3.302 -7.963 5.207 1.00 0.00 O ATOM 257 CB GLN A 19 0.729 -9.207 6.932 1.00 0.00 C ATOM 258 CG GLN A 19 -0.459 -8.820 7.799 1.00 0.00 C ATOM 259 CD GLN A 19 -0.083 -7.856 8.907 1.00 0.00 C ATOM 260 OE1 GLN A 19 0.807 -8.134 9.712 1.00 0.00 O ATOM 261 NE2 GLN A 19 -0.759 -6.715 8.954 1.00 0.00 N ATOM 0 H GLN A 19 -0.986 -8.684 5.222 1.00 0.00 H new ATOM 0 HA GLN A 19 1.102 -7.230 6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.563 -10.205 6.527 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.621 -9.261 7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.228 -8.367 7.174 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.893 -9.719 8.236 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.489 -6.526 8.267 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.549 -6.027 9.677 1.00 0.00 H new ATOM 270 N ILE A 20 2.204 -9.686 4.263 1.00 0.00 N ATOM 271 CA ILE A 20 3.364 -10.155 3.514 1.00 0.00 C ATOM 272 C ILE A 20 3.947 -9.042 2.650 1.00 0.00 C ATOM 273 O ILE A 20 5.165 -8.888 2.556 1.00 0.00 O ATOM 274 CB ILE A 20 3.005 -11.353 2.615 1.00 0.00 C ATOM 275 CG1 ILE A 20 2.442 -12.500 3.457 1.00 0.00 C ATOM 276 CG2 ILE A 20 4.227 -11.813 1.834 1.00 0.00 C ATOM 277 CD1 ILE A 20 1.446 -13.363 2.713 1.00 0.00 C ATOM 0 H ILE A 20 1.359 -10.241 4.125 1.00 0.00 H new ATOM 0 HA ILE A 20 4.107 -10.470 4.246 1.00 0.00 H new ATOM 0 HB ILE A 20 2.240 -11.039 1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.266 -13.125 3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.962 -12.087 4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.958 -12.660 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.588 -10.996 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.011 -12.113 2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.089 -14.155 3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.603 -12.751 2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.928 -13.805 1.841 1.00 0.00 H new ATOM 289 N LEU A 21 3.070 -8.267 2.021 1.00 0.00 N ATOM 290 CA LEU A 21 3.497 -7.166 1.165 1.00 0.00 C ATOM 291 C LEU A 21 4.312 -6.147 1.956 1.00 0.00 C ATOM 292 O LEU A 21 5.339 -5.658 1.485 1.00 0.00 O ATOM 293 CB LEU A 21 2.283 -6.485 0.532 1.00 0.00 C ATOM 294 CG LEU A 21 1.247 -7.414 -0.101 1.00 0.00 C ATOM 295 CD1 LEU A 21 0.153 -6.607 -0.784 1.00 0.00 C ATOM 296 CD2 LEU A 21 1.913 -8.359 -1.091 1.00 0.00 C ATOM 0 H LEU A 21 2.059 -8.381 2.088 1.00 0.00 H new ATOM 0 HA LEU A 21 4.128 -7.575 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.787 -5.888 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.637 -5.794 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 21 0.790 -8.010 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.575 -7.285 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.343 -5.972 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.593 -5.985 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.161 -9.013 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.397 -7.780 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.659 -8.962 -0.573 1.00 0.00 H new ATOM 308 N TYR A 22 3.848 -5.833 3.160 1.00 0.00 N ATOM 309 CA TYR A 22 4.533 -4.871 4.016 1.00 0.00 C ATOM 310 C TYR A 22 5.926 -5.369 4.388 1.00 0.00 C ATOM 311 O TYR A 22 6.906 -4.631 4.292 1.00 0.00 O ATOM 312 CB TYR A 22 3.716 -4.613 5.284 1.00 0.00 C ATOM 313 CG TYR A 22 2.431 -3.858 5.033 1.00 0.00 C ATOM 314 CD1 TYR A 22 2.425 -2.472 4.932 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.222 -4.529 4.897 1.00 0.00 C ATOM 316 CE1 TYR A 22 1.253 -1.777 4.703 1.00 0.00 C ATOM 317 CE2 TYR A 22 0.046 -3.843 4.666 1.00 0.00 C ATOM 318 CZ TYR A 22 0.066 -2.467 4.571 1.00 0.00 C ATOM 319 OH TYR A 22 -1.104 -1.780 4.343 1.00 0.00 O ATOM 0 H TYR A 22 3.001 -6.230 3.566 1.00 0.00 H new ATOM 0 HA TYR A 22 4.636 -3.938 3.462 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.481 -5.567 5.755 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.326 -4.051 5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.353 -1.929 5.034 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.202 -5.606 4.973 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.266 -0.700 4.628 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.884 -4.381 4.560 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.848 -2.414 4.274 1.00 0.00 H new ATOM 329 N GLN A 23 6.005 -6.626 4.812 1.00 0.00 N ATOM 330 CA GLN A 23 7.277 -7.224 5.199 1.00 0.00 C ATOM 331 C GLN A 23 8.294 -7.119 4.066 1.00 0.00 C ATOM 332 O GLN A 23 9.493 -6.985 4.306 1.00 0.00 O ATOM 333 CB GLN A 23 7.079 -8.690 5.589 1.00 0.00 C ATOM 334 CG GLN A 23 6.782 -8.891 7.066 1.00 0.00 C ATOM 335 CD GLN A 23 8.039 -9.039 7.899 1.00 0.00 C ATOM 336 OE1 GLN A 23 9.146 -9.117 7.366 1.00 0.00 O ATOM 337 NE2 GLN A 23 7.875 -9.078 9.217 1.00 0.00 N ATOM 0 H GLN A 23 5.203 -7.250 4.896 1.00 0.00 H new ATOM 0 HA GLN A 23 7.661 -6.676 6.060 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.260 -9.106 5.002 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.976 -9.251 5.327 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.204 -8.044 7.435 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.162 -9.779 7.190 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.939 -9.010 9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.685 -9.176 9.829 1.00 0.00 H new ATOM 346 N ALA A 24 7.805 -7.182 2.832 1.00 0.00 N ATOM 347 CA ALA A 24 8.671 -7.093 1.663 1.00 0.00 C ATOM 348 C ALA A 24 8.996 -5.641 1.329 1.00 0.00 C ATOM 349 O ALA A 24 10.149 -5.297 1.070 1.00 0.00 O ATOM 350 CB ALA A 24 8.019 -7.777 0.470 1.00 0.00 C ATOM 0 H ALA A 24 6.814 -7.294 2.616 1.00 0.00 H new ATOM 0 HA ALA A 24 9.606 -7.603 1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.677 -7.703 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.844 -8.827 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.069 -7.292 0.247 1.00 0.00 H new ATOM 356 N TYR A 25 7.973 -4.794 1.338 1.00 0.00 N ATOM 357 CA TYR A 25 8.149 -3.379 1.033 1.00 0.00 C ATOM 358 C TYR A 25 9.049 -2.708 2.066 1.00 0.00 C ATOM 359 O TYR A 25 9.745 -1.738 1.764 1.00 0.00 O ATOM 360 CB TYR A 25 6.793 -2.673 0.985 1.00 0.00 C ATOM 361 CG TYR A 25 6.869 -1.251 0.478 1.00 0.00 C ATOM 362 CD1 TYR A 25 7.457 -0.250 1.242 1.00 0.00 C ATOM 363 CD2 TYR A 25 6.351 -0.907 -0.765 1.00 0.00 C ATOM 364 CE1 TYR A 25 7.528 1.051 0.783 1.00 0.00 C ATOM 365 CE2 TYR A 25 6.419 0.391 -1.233 1.00 0.00 C ATOM 366 CZ TYR A 25 7.008 1.366 -0.455 1.00 0.00 C ATOM 367 OH TYR A 25 7.075 2.661 -0.917 1.00 0.00 O ATOM 0 H TYR A 25 7.013 -5.063 1.553 1.00 0.00 H new ATOM 0 HA TYR A 25 8.626 -3.300 0.056 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.119 -3.242 0.345 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.358 -2.671 1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.866 -0.494 2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.887 -1.668 -1.376 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.988 1.817 1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 25 6.013 0.641 -2.202 1.00 0.00 H new ATOM 0 HH TYR A 25 6.664 2.713 -1.805 1.00 0.00 H new ATOM 377 N ASP A 26 9.029 -3.231 3.287 1.00 0.00 N ATOM 378 CA ASP A 26 9.843 -2.685 4.367 1.00 0.00 C ATOM 379 C ASP A 26 11.329 -2.889 4.083 1.00 0.00 C ATOM 380 O ASP A 26 12.163 -2.074 4.477 1.00 0.00 O ATOM 381 CB ASP A 26 9.471 -3.339 5.697 1.00 0.00 C ATOM 382 CG ASP A 26 9.676 -2.410 6.878 1.00 0.00 C ATOM 383 OD1 ASP A 26 9.303 -1.223 6.770 1.00 0.00 O ATOM 384 OD2 ASP A 26 10.209 -2.871 7.909 1.00 0.00 O ATOM 0 H ASP A 26 8.458 -4.033 3.554 1.00 0.00 H new ATOM 0 HA ASP A 26 9.647 -1.615 4.431 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.428 -3.655 5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.072 -4.238 5.837 1.00 0.00 H new ATOM 389 N ARG A 27 11.651 -3.982 3.400 1.00 0.00 N ATOM 390 CA ARG A 27 13.035 -4.294 3.067 1.00 0.00 C ATOM 391 C ARG A 27 13.453 -3.600 1.774 1.00 0.00 C ATOM 392 O ARG A 27 14.506 -2.966 1.712 1.00 0.00 O ATOM 393 CB ARG A 27 13.220 -5.807 2.928 1.00 0.00 C ATOM 394 CG ARG A 27 12.636 -6.600 4.086 1.00 0.00 C ATOM 395 CD ARG A 27 12.753 -8.098 3.850 1.00 0.00 C ATOM 396 NE ARG A 27 12.810 -8.846 5.103 1.00 0.00 N ATOM 397 CZ ARG A 27 12.929 -10.168 5.165 1.00 0.00 C ATOM 398 NH1 ARG A 27 13.003 -10.883 4.051 1.00 0.00 N ATOM 399 NH2 ARG A 27 12.974 -10.777 6.343 1.00 0.00 N ATOM 0 H ARG A 27 10.972 -4.666 3.066 1.00 0.00 H new ATOM 0 HA ARG A 27 13.668 -3.930 3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.754 -6.138 2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.284 -6.029 2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.153 -6.334 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.588 -6.332 4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.901 -8.440 3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.649 -8.304 3.264 1.00 0.00 H new ATOM 0 HE ARG A 27 12.755 -8.325 5.978 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.969 -10.418 3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.094 -11.898 4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.917 -10.230 7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.065 -11.792 6.389 1.00 0.00 H new ATOM 413 N GLN A 28 12.621 -3.725 0.745 1.00 0.00 N ATOM 414 CA GLN A 28 12.905 -3.110 -0.546 1.00 0.00 C ATOM 415 C GLN A 28 11.686 -2.359 -1.072 1.00 0.00 C ATOM 416 O GLN A 28 10.564 -2.865 -1.027 1.00 0.00 O ATOM 417 CB GLN A 28 13.339 -4.174 -1.556 1.00 0.00 C ATOM 418 CG GLN A 28 13.547 -3.629 -2.960 1.00 0.00 C ATOM 419 CD GLN A 28 14.820 -2.814 -3.087 1.00 0.00 C ATOM 420 OE1 GLN A 28 14.862 -1.645 -2.703 1.00 0.00 O ATOM 421 NE2 GLN A 28 15.865 -3.429 -3.628 1.00 0.00 N ATOM 0 H GLN A 28 11.745 -4.246 0.780 1.00 0.00 H new ATOM 0 HA GLN A 28 13.717 -2.396 -0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 28 14.266 -4.633 -1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.586 -4.961 -1.588 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.579 -4.458 -3.667 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.694 -3.009 -3.235 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.784 -4.399 -3.932 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.748 -2.931 -3.739 1.00 0.00 H new ATOM 430 N LYS A 29 11.912 -1.149 -1.570 1.00 0.00 N ATOM 431 CA LYS A 29 10.834 -0.327 -2.106 1.00 0.00 C ATOM 432 C LYS A 29 10.511 -0.722 -3.543 1.00 0.00 C ATOM 433 O LYS A 29 9.352 -0.714 -3.954 1.00 0.00 O ATOM 434 CB LYS A 29 11.215 1.154 -2.046 1.00 0.00 C ATOM 435 CG LYS A 29 11.725 1.596 -0.685 1.00 0.00 C ATOM 436 CD LYS A 29 10.585 2.000 0.234 1.00 0.00 C ATOM 437 CE LYS A 29 10.968 1.847 1.698 1.00 0.00 C ATOM 438 NZ LYS A 29 11.741 3.019 2.195 1.00 0.00 N ATOM 0 H LYS A 29 12.834 -0.715 -1.614 1.00 0.00 H new ATOM 0 HA LYS A 29 9.947 -0.492 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.982 1.354 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.346 1.755 -2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 29 12.292 0.786 -0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.410 2.435 -0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.306 3.035 0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.709 1.387 0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.066 1.726 2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.560 0.941 1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.983 2.876 3.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.614 3.120 1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.167 3.880 2.097 1.00 0.00 H new ATOM 452 N ASN A 30 11.545 -1.069 -4.303 1.00 0.00 N ATOM 453 CA ASN A 30 11.371 -1.468 -5.695 1.00 0.00 C ATOM 454 C ASN A 30 11.648 -2.958 -5.872 1.00 0.00 C ATOM 455 O ASN A 30 12.745 -3.370 -6.249 1.00 0.00 O ATOM 456 CB ASN A 30 12.298 -0.654 -6.600 1.00 0.00 C ATOM 457 CG ASN A 30 12.261 0.828 -6.283 1.00 0.00 C ATOM 458 OD1 ASN A 30 11.419 1.563 -6.799 1.00 0.00 O ATOM 459 ND2 ASN A 30 13.176 1.274 -5.431 1.00 0.00 N ATOM 0 H ASN A 30 12.512 -1.082 -3.978 1.00 0.00 H new ATOM 0 HA ASN A 30 10.336 -1.273 -5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.319 -1.020 -6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.012 -0.807 -7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.200 2.262 -5.180 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.855 0.628 -5.027 1.00 0.00 H new ATOM 466 N PRO A 31 10.630 -3.786 -5.595 1.00 0.00 N ATOM 467 CA PRO A 31 10.739 -5.243 -5.717 1.00 0.00 C ATOM 468 C PRO A 31 10.840 -5.696 -7.170 1.00 0.00 C ATOM 469 O PRO A 31 10.036 -5.298 -8.012 1.00 0.00 O ATOM 470 CB PRO A 31 9.438 -5.749 -5.089 1.00 0.00 C ATOM 471 CG PRO A 31 8.477 -4.622 -5.245 1.00 0.00 C ATOM 472 CD PRO A 31 9.294 -3.364 -5.140 1.00 0.00 C ATOM 0 HA PRO A 31 11.639 -5.627 -5.236 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.079 -6.647 -5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.579 -6.006 -4.039 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.965 -4.676 -6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.709 -4.654 -4.472 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.889 -2.568 -5.766 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.319 -2.985 -4.118 1.00 0.00 H new ATOM 480 N SER A 32 11.834 -6.531 -7.456 1.00 0.00 N ATOM 481 CA SER A 32 12.043 -7.037 -8.808 1.00 0.00 C ATOM 482 C SER A 32 11.354 -8.385 -8.996 1.00 0.00 C ATOM 483 O SER A 32 10.784 -8.941 -8.057 1.00 0.00 O ATOM 484 CB SER A 32 13.538 -7.169 -9.100 1.00 0.00 C ATOM 485 OG SER A 32 14.083 -5.938 -9.541 1.00 0.00 O ATOM 0 H SER A 32 12.507 -6.871 -6.770 1.00 0.00 H new ATOM 0 HA SER A 32 11.606 -6.325 -9.508 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.059 -7.500 -8.202 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.697 -7.934 -9.860 1.00 0.00 H new ATOM 0 HG SER A 32 15.040 -6.049 -9.719 1.00 0.00 H new ATOM 491 N LYS A 33 11.412 -8.906 -10.217 1.00 0.00 N ATOM 492 CA LYS A 33 10.796 -10.190 -10.531 1.00 0.00 C ATOM 493 C LYS A 33 10.980 -11.177 -9.383 1.00 0.00 C ATOM 494 O LYS A 33 10.095 -11.983 -9.099 1.00 0.00 O ATOM 495 CB LYS A 33 11.397 -10.766 -11.815 1.00 0.00 C ATOM 496 CG LYS A 33 10.992 -12.205 -12.084 1.00 0.00 C ATOM 497 CD LYS A 33 10.945 -12.502 -13.574 1.00 0.00 C ATOM 498 CE LYS A 33 10.467 -13.921 -13.844 1.00 0.00 C ATOM 499 NZ LYS A 33 11.598 -14.889 -13.876 1.00 0.00 N ATOM 0 H LYS A 33 11.879 -8.459 -11.006 1.00 0.00 H new ATOM 0 HA LYS A 33 9.728 -10.027 -10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.091 -10.147 -12.659 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.484 -10.708 -11.755 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.698 -12.879 -11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.014 -12.397 -11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.280 -11.793 -14.067 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.936 -12.362 -14.006 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.756 -14.218 -13.073 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.936 -13.951 -14.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.232 -15.844 -14.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.264 -14.620 -14.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.089 -14.879 -12.959 1.00 0.00 H new ATOM 513 N GLU A 34 12.135 -11.107 -8.728 1.00 0.00 N ATOM 514 CA GLU A 34 12.433 -11.995 -7.610 1.00 0.00 C ATOM 515 C GLU A 34 11.630 -11.602 -6.374 1.00 0.00 C ATOM 516 O GLU A 34 10.859 -12.401 -5.843 1.00 0.00 O ATOM 517 CB GLU A 34 13.929 -11.965 -7.291 1.00 0.00 C ATOM 518 CG GLU A 34 14.788 -12.660 -8.333 1.00 0.00 C ATOM 519 CD GLU A 34 16.059 -13.243 -7.747 1.00 0.00 C ATOM 520 OE1 GLU A 34 17.014 -12.471 -7.518 1.00 0.00 O ATOM 521 OE2 GLU A 34 16.100 -14.470 -7.518 1.00 0.00 O ATOM 0 H GLU A 34 12.879 -10.446 -8.952 1.00 0.00 H new ATOM 0 HA GLU A 34 12.151 -13.008 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.252 -10.928 -7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.095 -12.437 -6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.210 -13.456 -8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.047 -11.949 -9.118 1.00 0.00 H new ATOM 528 N GLU A 35 11.818 -10.367 -5.921 1.00 0.00 N ATOM 529 CA GLU A 35 11.112 -9.869 -4.746 1.00 0.00 C ATOM 530 C GLU A 35 9.601 -9.987 -4.928 1.00 0.00 C ATOM 531 O GLU A 35 8.929 -10.699 -4.182 1.00 0.00 O ATOM 532 CB GLU A 35 11.491 -8.411 -4.476 1.00 0.00 C ATOM 533 CG GLU A 35 12.843 -8.249 -3.801 1.00 0.00 C ATOM 534 CD GLU A 35 12.753 -8.324 -2.289 1.00 0.00 C ATOM 535 OE1 GLU A 35 12.052 -7.477 -1.695 1.00 0.00 O ATOM 536 OE2 GLU A 35 13.383 -9.226 -1.700 1.00 0.00 O ATOM 0 H GLU A 35 12.453 -9.693 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 35 11.407 -10.478 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.498 -7.865 -5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.724 -7.955 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.519 -9.025 -4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.276 -7.291 -4.088 1.00 0.00 H new ATOM 543 N ARG A 36 9.074 -9.283 -5.925 1.00 0.00 N ATOM 544 CA ARG A 36 7.644 -9.308 -6.205 1.00 0.00 C ATOM 545 C ARG A 36 7.113 -10.738 -6.200 1.00 0.00 C ATOM 546 O ARG A 36 6.158 -11.053 -5.491 1.00 0.00 O ATOM 547 CB ARG A 36 7.355 -8.650 -7.555 1.00 0.00 C ATOM 548 CG ARG A 36 7.214 -7.138 -7.479 1.00 0.00 C ATOM 549 CD ARG A 36 6.493 -6.583 -8.697 1.00 0.00 C ATOM 550 NE ARG A 36 7.420 -6.239 -9.772 1.00 0.00 N ATOM 551 CZ ARG A 36 7.073 -6.190 -11.053 1.00 0.00 C ATOM 552 NH1 ARG A 36 5.827 -6.461 -11.417 1.00 0.00 N ATOM 553 NH2 ARG A 36 7.973 -5.868 -11.974 1.00 0.00 N ATOM 0 H ARG A 36 9.616 -8.689 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 36 7.136 -8.748 -5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.158 -8.897 -8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.438 -9.072 -7.966 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.666 -6.868 -6.576 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.201 -6.683 -7.401 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.775 -7.318 -9.059 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.926 -5.698 -8.410 1.00 0.00 H new ATOM 0 HE ARG A 36 8.386 -6.025 -9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.132 -6.708 -10.712 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.564 -6.423 -12.402 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.932 -5.658 -11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.705 -5.831 -12.958 1.00 0.00 H new ATOM 567 N GLU A 37 7.739 -11.599 -6.997 1.00 0.00 N ATOM 568 CA GLU A 37 7.328 -12.995 -7.085 1.00 0.00 C ATOM 569 C GLU A 37 7.159 -13.601 -5.695 1.00 0.00 C ATOM 570 O GLU A 37 6.117 -14.175 -5.379 1.00 0.00 O ATOM 571 CB GLU A 37 8.354 -13.802 -7.883 1.00 0.00 C ATOM 572 CG GLU A 37 8.168 -13.704 -9.388 1.00 0.00 C ATOM 573 CD GLU A 37 7.122 -14.669 -9.912 1.00 0.00 C ATOM 574 OE1 GLU A 37 7.352 -15.893 -9.829 1.00 0.00 O ATOM 575 OE2 GLU A 37 6.075 -14.199 -10.403 1.00 0.00 O ATOM 0 H GLU A 37 8.532 -11.354 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 37 6.367 -13.033 -7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.355 -13.456 -7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.292 -14.849 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.880 -12.686 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.119 -13.903 -9.881 1.00 0.00 H new ATOM 582 N ALA A 38 8.192 -13.470 -4.868 1.00 0.00 N ATOM 583 CA ALA A 38 8.157 -14.003 -3.512 1.00 0.00 C ATOM 584 C ALA A 38 6.861 -13.621 -2.805 1.00 0.00 C ATOM 585 O ALA A 38 6.458 -14.265 -1.835 1.00 0.00 O ATOM 586 CB ALA A 38 9.358 -13.507 -2.720 1.00 0.00 C ATOM 0 H ALA A 38 9.063 -12.999 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 38 8.199 -15.090 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.320 -13.912 -1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.276 -13.835 -3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.340 -12.418 -2.675 1.00 0.00 H new ATOM 592 N LEU A 39 6.211 -12.572 -3.296 1.00 0.00 N ATOM 593 CA LEU A 39 4.960 -12.104 -2.711 1.00 0.00 C ATOM 594 C LEU A 39 3.761 -12.703 -3.439 1.00 0.00 C ATOM 595 O LEU A 39 2.687 -12.867 -2.859 1.00 0.00 O ATOM 596 CB LEU A 39 4.890 -10.577 -2.761 1.00 0.00 C ATOM 597 CG LEU A 39 6.174 -9.834 -2.391 1.00 0.00 C ATOM 598 CD1 LEU A 39 5.935 -8.332 -2.370 1.00 0.00 C ATOM 599 CD2 LEU A 39 6.697 -10.311 -1.044 1.00 0.00 C ATOM 0 H LEU A 39 6.530 -12.029 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 39 4.930 -12.429 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.599 -10.279 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.097 -10.247 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 39 6.927 -10.051 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.860 -7.820 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.607 -8.002 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.166 -8.096 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.611 -9.771 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.947 -10.125 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.908 -11.379 -1.093 1.00 0.00 H new ATOM 611 N VAL A 40 3.952 -13.031 -4.713 1.00 0.00 N ATOM 612 CA VAL A 40 2.887 -13.615 -5.520 1.00 0.00 C ATOM 613 C VAL A 40 2.581 -15.042 -5.076 1.00 0.00 C ATOM 614 O VAL A 40 1.421 -15.446 -5.012 1.00 0.00 O ATOM 615 CB VAL A 40 3.256 -13.622 -7.015 1.00 0.00 C ATOM 616 CG1 VAL A 40 2.254 -14.448 -7.808 1.00 0.00 C ATOM 617 CG2 VAL A 40 3.331 -12.201 -7.552 1.00 0.00 C ATOM 0 H VAL A 40 4.834 -12.902 -5.208 1.00 0.00 H new ATOM 0 HA VAL A 40 2.003 -12.995 -5.375 1.00 0.00 H new ATOM 0 HB VAL A 40 4.239 -14.080 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.531 -14.442 -8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.255 -15.474 -7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.258 -14.021 -7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.593 -12.225 -8.610 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.364 -11.714 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.090 -11.644 -7.003 1.00 0.00 H new ATOM 627 N GLU A 41 3.631 -15.798 -4.771 1.00 0.00 N ATOM 628 CA GLU A 41 3.474 -17.181 -4.334 1.00 0.00 C ATOM 629 C GLU A 41 3.143 -17.246 -2.846 1.00 0.00 C ATOM 630 O GLU A 41 2.275 -18.010 -2.426 1.00 0.00 O ATOM 631 CB GLU A 41 4.748 -17.978 -4.620 1.00 0.00 C ATOM 632 CG GLU A 41 5.989 -17.400 -3.960 1.00 0.00 C ATOM 633 CD GLU A 41 7.236 -18.212 -4.250 1.00 0.00 C ATOM 634 OE1 GLU A 41 7.146 -19.457 -4.245 1.00 0.00 O ATOM 635 OE2 GLU A 41 8.301 -17.602 -4.481 1.00 0.00 O ATOM 0 H GLU A 41 4.598 -15.477 -4.818 1.00 0.00 H new ATOM 0 HA GLU A 41 2.647 -17.620 -4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.609 -19.004 -4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.906 -18.020 -5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.137 -16.377 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.834 -17.352 -2.882 1.00 0.00 H new ATOM 642 N GLU A 42 3.844 -16.440 -2.054 1.00 0.00 N ATOM 643 CA GLU A 42 3.626 -16.407 -0.612 1.00 0.00 C ATOM 644 C GLU A 42 2.183 -16.029 -0.289 1.00 0.00 C ATOM 645 O GLU A 42 1.538 -16.662 0.548 1.00 0.00 O ATOM 646 CB GLU A 42 4.585 -15.415 0.048 1.00 0.00 C ATOM 647 CG GLU A 42 4.518 -15.423 1.566 1.00 0.00 C ATOM 648 CD GLU A 42 4.965 -16.743 2.163 1.00 0.00 C ATOM 649 OE1 GLU A 42 5.968 -17.304 1.675 1.00 0.00 O ATOM 650 OE2 GLU A 42 4.312 -17.215 3.118 1.00 0.00 O ATOM 0 H GLU A 42 4.567 -15.802 -2.386 1.00 0.00 H new ATOM 0 HA GLU A 42 3.819 -17.405 -0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.604 -15.645 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.361 -14.411 -0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.144 -14.621 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.496 -15.213 1.882 1.00 0.00 H new ATOM 657 N CYS A 43 1.685 -14.995 -0.957 1.00 0.00 N ATOM 658 CA CYS A 43 0.319 -14.531 -0.740 1.00 0.00 C ATOM 659 C CYS A 43 -0.687 -15.627 -1.077 1.00 0.00 C ATOM 660 O CYS A 43 -1.347 -16.171 -0.192 1.00 0.00 O ATOM 661 CB CYS A 43 0.040 -13.288 -1.586 1.00 0.00 C ATOM 662 SG CYS A 43 0.877 -11.796 -1.004 1.00 0.00 S ATOM 0 H CYS A 43 2.206 -14.462 -1.653 1.00 0.00 H new ATOM 0 HA CYS A 43 0.211 -14.275 0.314 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.345 -13.485 -2.614 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.035 -13.106 -1.602 1.00 0.00 H new ATOM 0 HG CYS A 43 2.025 -11.681 -1.602 1.00 0.00 H new ATOM 668 N ASN A 44 -0.800 -15.945 -2.362 1.00 0.00 N ATOM 669 CA ASN A 44 -1.728 -16.974 -2.816 1.00 0.00 C ATOM 670 C ASN A 44 -1.691 -18.187 -1.891 1.00 0.00 C ATOM 671 O ASN A 44 -2.714 -18.827 -1.648 1.00 0.00 O ATOM 672 CB ASN A 44 -1.390 -17.400 -4.247 1.00 0.00 C ATOM 673 CG ASN A 44 -1.989 -16.469 -5.284 1.00 0.00 C ATOM 674 OD1 ASN A 44 -3.116 -15.998 -5.133 1.00 0.00 O ATOM 675 ND2 ASN A 44 -1.235 -16.200 -6.343 1.00 0.00 N ATOM 0 H ASN A 44 -0.261 -15.505 -3.107 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.734 -16.555 -2.796 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.307 -17.427 -4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.755 -18.413 -4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.584 -15.580 -7.074 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.306 -16.613 -6.426 1.00 0.00 H new ATOM 682 N ARG A 45 -0.505 -18.496 -1.378 1.00 0.00 N ATOM 683 CA ARG A 45 -0.333 -19.632 -0.480 1.00 0.00 C ATOM 684 C ARG A 45 -1.022 -19.376 0.857 1.00 0.00 C ATOM 685 O ARG A 45 -1.905 -20.130 1.267 1.00 0.00 O ATOM 686 CB ARG A 45 1.154 -19.912 -0.255 1.00 0.00 C ATOM 687 CG ARG A 45 1.424 -20.899 0.869 1.00 0.00 C ATOM 688 CD ARG A 45 2.847 -20.774 1.390 1.00 0.00 C ATOM 689 NE ARG A 45 2.946 -21.126 2.804 1.00 0.00 N ATOM 690 CZ ARG A 45 4.096 -21.377 3.420 1.00 0.00 C ATOM 691 NH1 ARG A 45 5.238 -21.314 2.751 1.00 0.00 N ATOM 692 NH2 ARG A 45 4.104 -21.690 4.710 1.00 0.00 N ATOM 0 H ARG A 45 0.351 -17.976 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.793 -20.504 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.586 -20.298 -1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.662 -18.974 -0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.721 -20.726 1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.254 -21.915 0.512 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.504 -21.421 0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.197 -19.752 1.246 1.00 0.00 H new ATOM 0 HE ARG A 45 2.085 -21.182 3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.236 -21.072 1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.119 -21.507 3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.227 -21.738 5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.987 -21.883 5.183 1.00 0.00 H new ATOM 706 N ALA A 46 -0.612 -18.308 1.534 1.00 0.00 N ATOM 707 CA ALA A 46 -1.191 -17.952 2.823 1.00 0.00 C ATOM 708 C ALA A 46 -2.706 -17.813 2.726 1.00 0.00 C ATOM 709 O ALA A 46 -3.441 -18.336 3.563 1.00 0.00 O ATOM 710 CB ALA A 46 -0.572 -16.662 3.341 1.00 0.00 C ATOM 0 H ALA A 46 0.119 -17.674 1.211 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.972 -18.756 3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.014 -16.408 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.503 -16.796 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.762 -15.857 2.631 1.00 0.00 H new ATOM 716 N GLU A 47 -3.166 -17.104 1.700 1.00 0.00 N ATOM 717 CA GLU A 47 -4.594 -16.896 1.495 1.00 0.00 C ATOM 718 C GLU A 47 -5.354 -18.217 1.573 1.00 0.00 C ATOM 719 O GLU A 47 -6.439 -18.288 2.151 1.00 0.00 O ATOM 720 CB GLU A 47 -4.846 -16.229 0.141 1.00 0.00 C ATOM 721 CG GLU A 47 -4.259 -14.832 0.032 1.00 0.00 C ATOM 722 CD GLU A 47 -5.054 -13.936 -0.898 1.00 0.00 C ATOM 723 OE1 GLU A 47 -4.957 -14.122 -2.129 1.00 0.00 O ATOM 724 OE2 GLU A 47 -5.775 -13.049 -0.394 1.00 0.00 O ATOM 0 H GLU A 47 -2.570 -16.664 0.998 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.957 -16.241 2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.424 -16.854 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.921 -16.177 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.222 -14.379 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.232 -14.901 -0.326 1.00 0.00 H new ATOM 731 N CYS A 48 -4.776 -19.260 0.987 1.00 0.00 N ATOM 732 CA CYS A 48 -5.398 -20.579 0.988 1.00 0.00 C ATOM 733 C CYS A 48 -5.421 -21.168 2.395 1.00 0.00 C ATOM 734 O CYS A 48 -6.429 -21.729 2.829 1.00 0.00 O ATOM 735 CB CYS A 48 -4.651 -21.519 0.041 1.00 0.00 C ATOM 736 SG CYS A 48 -4.998 -21.232 -1.710 1.00 0.00 S ATOM 0 H CYS A 48 -3.878 -19.218 0.505 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.426 -20.469 0.643 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.580 -21.412 0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.911 -22.548 0.288 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.825 -22.336 -2.373 1.00 0.00 H new ATOM 742 N LEU A 49 -4.305 -21.038 3.104 1.00 0.00 N ATOM 743 CA LEU A 49 -4.196 -21.559 4.462 1.00 0.00 C ATOM 744 C LEU A 49 -5.216 -20.896 5.383 1.00 0.00 C ATOM 745 O LEU A 49 -6.035 -21.572 6.005 1.00 0.00 O ATOM 746 CB LEU A 49 -2.783 -21.336 5.003 1.00 0.00 C ATOM 747 CG LEU A 49 -1.637 -21.668 4.045 1.00 0.00 C ATOM 748 CD1 LEU A 49 -0.318 -21.746 4.798 1.00 0.00 C ATOM 749 CD2 LEU A 49 -1.915 -22.973 3.313 1.00 0.00 C ATOM 0 H LEU A 49 -3.463 -20.576 2.761 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.402 -22.629 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.690 -20.292 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.662 -21.936 5.905 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.563 -20.870 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.486 -21.983 4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.114 -20.787 5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.379 -22.524 5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.090 -23.193 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.017 -23.782 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.838 -22.880 2.741 1.00 0.00 H new ATOM 761 N GLN A 50 -5.160 -19.571 5.462 1.00 0.00 N ATOM 762 CA GLN A 50 -6.080 -18.817 6.306 1.00 0.00 C ATOM 763 C GLN A 50 -7.528 -19.125 5.942 1.00 0.00 C ATOM 764 O GLN A 50 -8.384 -19.258 6.818 1.00 0.00 O ATOM 765 CB GLN A 50 -5.816 -17.316 6.171 1.00 0.00 C ATOM 766 CG GLN A 50 -6.091 -16.773 4.778 1.00 0.00 C ATOM 767 CD GLN A 50 -5.840 -15.282 4.673 1.00 0.00 C ATOM 768 OE1 GLN A 50 -6.751 -14.473 4.855 1.00 0.00 O ATOM 769 NE2 GLN A 50 -4.600 -14.909 4.379 1.00 0.00 N ATOM 0 H GLN A 50 -4.488 -18.997 4.952 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.913 -19.116 7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.436 -16.780 6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.777 -17.113 6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.461 -17.295 4.058 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.126 -16.983 4.508 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.876 -15.613 4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.372 -13.918 4.296 1.00 0.00 H new ATOM 778 N ARG A 51 -7.797 -19.237 4.645 1.00 0.00 N ATOM 779 CA ARG A 51 -9.143 -19.528 4.166 1.00 0.00 C ATOM 780 C ARG A 51 -9.431 -21.025 4.230 1.00 0.00 C ATOM 781 O ARG A 51 -10.468 -21.489 3.757 1.00 0.00 O ATOM 782 CB ARG A 51 -9.316 -19.025 2.731 1.00 0.00 C ATOM 783 CG ARG A 51 -9.575 -17.530 2.637 1.00 0.00 C ATOM 784 CD ARG A 51 -9.380 -17.020 1.217 1.00 0.00 C ATOM 785 NE ARG A 51 -10.139 -15.798 0.967 1.00 0.00 N ATOM 786 CZ ARG A 51 -9.825 -14.919 0.022 1.00 0.00 C ATOM 787 NH1 ARG A 51 -8.773 -15.126 -0.758 1.00 0.00 N ATOM 788 NH2 ARG A 51 -10.565 -13.830 -0.145 1.00 0.00 N ATOM 0 H ARG A 51 -7.101 -19.131 3.907 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.852 -19.011 4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.420 -19.267 2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.144 -19.559 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.591 -17.314 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.902 -17.000 3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.321 -16.832 1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.688 -17.790 0.510 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.955 -15.609 1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.202 -15.962 -0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.534 -14.449 -1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.375 -13.668 0.453 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.323 -13.155 -0.871 1.00 0.00 H new ATOM 802 N GLY A 52 -8.504 -21.776 4.817 1.00 0.00 N ATOM 803 CA GLY A 52 -8.677 -23.213 4.932 1.00 0.00 C ATOM 804 C GLY A 52 -8.283 -23.947 3.666 1.00 0.00 C ATOM 805 O GLY A 52 -7.943 -25.129 3.705 1.00 0.00 O ATOM 0 H GLY A 52 -7.637 -21.415 5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.078 -23.583 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.718 -23.433 5.167 1.00 0.00 H new ATOM 809 N VAL A 53 -8.330 -23.245 2.538 1.00 0.00 N ATOM 810 CA VAL A 53 -7.975 -23.838 1.254 1.00 0.00 C ATOM 811 C VAL A 53 -6.532 -24.329 1.255 1.00 0.00 C ATOM 812 O VAL A 53 -5.788 -24.101 2.209 1.00 0.00 O ATOM 813 CB VAL A 53 -8.162 -22.833 0.101 1.00 0.00 C ATOM 814 CG1 VAL A 53 -8.313 -23.563 -1.225 1.00 0.00 C ATOM 815 CG2 VAL A 53 -9.363 -21.937 0.365 1.00 0.00 C ATOM 0 H VAL A 53 -8.610 -22.266 2.487 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.644 -24.685 1.101 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.274 -22.204 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.444 -22.837 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.420 -24.158 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.183 -24.218 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.480 -21.233 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.261 -22.548 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.209 -21.386 1.293 1.00 0.00 H new ATOM 825 N SER A 54 -6.142 -25.006 0.179 1.00 0.00 N ATOM 826 CA SER A 54 -4.788 -25.533 0.058 1.00 0.00 C ATOM 827 C SER A 54 -3.897 -24.569 -0.720 1.00 0.00 C ATOM 828 O SER A 54 -4.317 -23.945 -1.695 1.00 0.00 O ATOM 829 CB SER A 54 -4.809 -26.897 -0.635 1.00 0.00 C ATOM 830 OG SER A 54 -3.741 -27.713 -0.188 1.00 0.00 O ATOM 0 H SER A 54 -6.744 -25.202 -0.621 1.00 0.00 H new ATOM 0 HA SER A 54 -4.379 -25.649 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.758 -27.394 -0.437 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.740 -26.761 -1.714 1.00 0.00 H new ATOM 0 HG SER A 54 -3.778 -28.579 -0.645 1.00 0.00 H new ATOM 836 N PRO A 55 -2.636 -24.444 -0.280 1.00 0.00 N ATOM 837 CA PRO A 55 -1.659 -23.558 -0.919 1.00 0.00 C ATOM 838 C PRO A 55 -1.232 -24.062 -2.294 1.00 0.00 C ATOM 839 O PRO A 55 -0.569 -23.351 -3.048 1.00 0.00 O ATOM 840 CB PRO A 55 -0.474 -23.579 0.049 1.00 0.00 C ATOM 841 CG PRO A 55 -0.594 -24.880 0.767 1.00 0.00 C ATOM 842 CD PRO A 55 -2.068 -25.157 0.876 1.00 0.00 C ATOM 0 HA PRO A 55 -2.066 -22.562 -1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 55 0.474 -23.507 -0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.514 -22.739 0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.087 -25.675 0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.133 -24.826 1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.280 -26.225 0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.478 -24.788 1.816 1.00 0.00 H new ATOM 850 N SER A 56 -1.618 -25.294 -2.613 1.00 0.00 N ATOM 851 CA SER A 56 -1.272 -25.894 -3.896 1.00 0.00 C ATOM 852 C SER A 56 -2.400 -25.705 -4.906 1.00 0.00 C ATOM 853 O SER A 56 -2.217 -25.911 -6.106 1.00 0.00 O ATOM 854 CB SER A 56 -0.973 -27.384 -3.722 1.00 0.00 C ATOM 855 OG SER A 56 -2.147 -28.105 -3.391 1.00 0.00 O ATOM 0 H SER A 56 -2.170 -25.895 -2.001 1.00 0.00 H new ATOM 0 HA SER A 56 -0.381 -25.393 -4.275 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.545 -27.782 -4.642 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.227 -27.519 -2.939 1.00 0.00 H new ATOM 0 HG SER A 56 -1.929 -29.055 -3.287 1.00 0.00 H new ATOM 861 N LYS A 57 -3.569 -25.311 -4.411 1.00 0.00 N ATOM 862 CA LYS A 57 -4.728 -25.092 -5.268 1.00 0.00 C ATOM 863 C LYS A 57 -5.131 -23.621 -5.273 1.00 0.00 C ATOM 864 O LYS A 57 -6.310 -23.290 -5.149 1.00 0.00 O ATOM 865 CB LYS A 57 -5.904 -25.952 -4.799 1.00 0.00 C ATOM 866 CG LYS A 57 -5.506 -27.364 -4.406 1.00 0.00 C ATOM 867 CD LYS A 57 -5.441 -28.282 -5.615 1.00 0.00 C ATOM 868 CE LYS A 57 -6.824 -28.757 -6.030 1.00 0.00 C ATOM 869 NZ LYS A 57 -6.761 -29.994 -6.856 1.00 0.00 N ATOM 0 H LYS A 57 -3.738 -25.137 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.457 -25.380 -6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.381 -25.467 -3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.647 -26.001 -5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.536 -27.345 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.224 -27.758 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.971 -27.757 -6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.813 -29.143 -5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.426 -28.945 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.325 -27.969 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.724 -30.285 -7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.208 -29.809 -7.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.306 -30.753 -6.310 1.00 0.00 H new ATOM 883 N ALA A 58 -4.144 -22.742 -5.418 1.00 0.00 N ATOM 884 CA ALA A 58 -4.397 -21.307 -5.443 1.00 0.00 C ATOM 885 C ALA A 58 -4.959 -20.872 -6.791 1.00 0.00 C ATOM 886 O ALA A 58 -5.474 -19.762 -6.932 1.00 0.00 O ATOM 887 CB ALA A 58 -3.120 -20.541 -5.130 1.00 0.00 C ATOM 0 H ALA A 58 -3.162 -22.999 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.141 -21.081 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.323 -19.470 -5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.761 -20.822 -4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.360 -20.781 -5.873 1.00 0.00 H new ATOM 893 N HIS A 59 -4.858 -21.753 -7.782 1.00 0.00 N ATOM 894 CA HIS A 59 -5.358 -21.459 -9.120 1.00 0.00 C ATOM 895 C HIS A 59 -6.875 -21.302 -9.112 1.00 0.00 C ATOM 896 O HIS A 59 -7.474 -20.904 -10.110 1.00 0.00 O ATOM 897 CB HIS A 59 -4.953 -22.567 -10.093 1.00 0.00 C ATOM 898 CG HIS A 59 -5.091 -23.945 -9.523 1.00 0.00 C ATOM 899 ND1 HIS A 59 -4.590 -25.070 -10.142 1.00 0.00 N ATOM 900 CD2 HIS A 59 -5.677 -24.376 -8.381 1.00 0.00 C ATOM 901 CE1 HIS A 59 -4.863 -26.133 -9.408 1.00 0.00 C ATOM 902 NE2 HIS A 59 -5.522 -25.739 -8.333 1.00 0.00 N ATOM 0 H HIS A 59 -4.435 -22.676 -7.683 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.916 -20.518 -9.447 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.565 -22.492 -10.992 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.918 -22.411 -10.398 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -4.087 -25.080 -11.029 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.174 -23.762 -7.645 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -4.593 -27.151 -9.646 1.00 0.00 H new ATOM 911 N GLY A 60 -7.492 -21.619 -7.977 1.00 0.00 N ATOM 912 CA GLY A 60 -8.934 -21.507 -7.860 1.00 0.00 C ATOM 913 C GLY A 60 -9.370 -20.158 -7.326 1.00 0.00 C ATOM 914 O GLY A 60 -10.489 -19.711 -7.583 1.00 0.00 O ATOM 0 H GLY A 60 -7.019 -21.951 -7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.388 -21.671 -8.837 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.304 -22.292 -7.200 1.00 0.00 H new ATOM 918 N LEU A 61 -8.486 -19.506 -6.578 1.00 0.00 N ATOM 919 CA LEU A 61 -8.786 -18.199 -6.004 1.00 0.00 C ATOM 920 C LEU A 61 -9.566 -17.336 -6.991 1.00 0.00 C ATOM 921 O LEU A 61 -10.592 -16.752 -6.644 1.00 0.00 O ATOM 922 CB LEU A 61 -7.493 -17.488 -5.600 1.00 0.00 C ATOM 923 CG LEU A 61 -6.779 -18.044 -4.367 1.00 0.00 C ATOM 924 CD1 LEU A 61 -5.302 -17.681 -4.397 1.00 0.00 C ATOM 925 CD2 LEU A 61 -7.431 -17.525 -3.094 1.00 0.00 C ATOM 0 H LEU A 61 -7.556 -19.861 -6.355 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.402 -18.352 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.803 -17.525 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.720 -16.437 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.866 -19.130 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.810 -18.085 -3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.842 -18.101 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.194 -16.596 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.910 -17.931 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.375 -16.437 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.476 -17.835 -3.068 1.00 0.00 H new ATOM 937 N GLY A 62 -9.073 -17.263 -8.224 1.00 0.00 N ATOM 938 CA GLY A 62 -9.738 -16.471 -9.242 1.00 0.00 C ATOM 939 C GLY A 62 -9.504 -14.984 -9.066 1.00 0.00 C ATOM 940 O GLY A 62 -8.400 -14.491 -9.299 1.00 0.00 O ATOM 0 H GLY A 62 -8.226 -17.738 -8.536 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.383 -16.777 -10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.809 -16.673 -9.213 1.00 0.00 H new ATOM 944 N SER A 63 -10.544 -14.267 -8.655 1.00 0.00 N ATOM 945 CA SER A 63 -10.448 -12.826 -8.453 1.00 0.00 C ATOM 946 C SER A 63 -9.524 -12.502 -7.283 1.00 0.00 C ATOM 947 O SER A 63 -8.953 -11.415 -7.212 1.00 0.00 O ATOM 948 CB SER A 63 -11.835 -12.231 -8.202 1.00 0.00 C ATOM 949 OG SER A 63 -11.777 -10.818 -8.120 1.00 0.00 O ATOM 0 H SER A 63 -11.464 -14.660 -8.455 1.00 0.00 H new ATOM 0 HA SER A 63 -10.029 -12.384 -9.357 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.511 -12.524 -9.006 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.246 -12.635 -7.277 1.00 0.00 H new ATOM 0 HG SER A 63 -12.676 -10.462 -7.961 1.00 0.00 H new ATOM 955 N ASN A 64 -9.383 -13.455 -6.367 1.00 0.00 N ATOM 956 CA ASN A 64 -8.530 -13.272 -5.199 1.00 0.00 C ATOM 957 C ASN A 64 -7.113 -13.764 -5.478 1.00 0.00 C ATOM 958 O ASN A 64 -6.265 -13.788 -4.585 1.00 0.00 O ATOM 959 CB ASN A 64 -9.111 -14.015 -3.994 1.00 0.00 C ATOM 960 CG ASN A 64 -9.930 -15.225 -4.402 1.00 0.00 C ATOM 961 OD1 ASN A 64 -9.536 -16.365 -4.157 1.00 0.00 O ATOM 962 ND2 ASN A 64 -11.076 -14.981 -5.027 1.00 0.00 N ATOM 0 H ASN A 64 -9.849 -14.361 -6.411 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.489 -12.206 -4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.299 -14.333 -3.340 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.737 -13.334 -3.417 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.669 -15.755 -5.325 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.363 -14.019 -5.209 1.00 0.00 H new ATOM 969 N LEU A 65 -6.863 -14.155 -6.723 1.00 0.00 N ATOM 970 CA LEU A 65 -5.548 -14.646 -7.121 1.00 0.00 C ATOM 971 C LEU A 65 -4.552 -13.498 -7.242 1.00 0.00 C ATOM 972 O LEU A 65 -4.903 -12.399 -7.671 1.00 0.00 O ATOM 973 CB LEU A 65 -5.644 -15.396 -8.451 1.00 0.00 C ATOM 974 CG LEU A 65 -4.453 -16.287 -8.806 1.00 0.00 C ATOM 975 CD1 LEU A 65 -4.517 -17.596 -8.035 1.00 0.00 C ATOM 976 CD2 LEU A 65 -4.412 -16.550 -10.304 1.00 0.00 C ATOM 0 H LEU A 65 -7.553 -14.142 -7.474 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.193 -15.330 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.542 -16.014 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.776 -14.665 -9.249 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.538 -15.767 -8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.661 -18.217 -8.301 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.497 -17.389 -6.965 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.438 -18.121 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.558 -17.186 -10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.331 -17.049 -10.611 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.317 -15.604 -10.837 1.00 0.00 H new ATOM 988 N VAL A 66 -3.305 -13.761 -6.862 1.00 0.00 N ATOM 989 CA VAL A 66 -2.256 -12.751 -6.931 1.00 0.00 C ATOM 990 C VAL A 66 -1.350 -12.980 -8.136 1.00 0.00 C ATOM 991 O VAL A 66 -1.170 -14.113 -8.585 1.00 0.00 O ATOM 992 CB VAL A 66 -1.398 -12.745 -5.652 1.00 0.00 C ATOM 993 CG1 VAL A 66 -0.457 -11.550 -5.646 1.00 0.00 C ATOM 994 CG2 VAL A 66 -2.285 -12.741 -4.416 1.00 0.00 C ATOM 0 H VAL A 66 -2.997 -14.665 -6.503 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.752 -11.786 -7.032 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.795 -13.653 -5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.141 -11.562 -4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.202 -11.601 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.038 -10.629 -5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.662 -12.737 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.915 -11.852 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.914 -13.631 -4.416 1.00 0.00 H new ATOM 1004 N THR A 67 -0.781 -11.897 -8.656 1.00 0.00 N ATOM 1005 CA THR A 67 0.105 -11.979 -9.810 1.00 0.00 C ATOM 1006 C THR A 67 1.118 -10.840 -9.807 1.00 0.00 C ATOM 1007 O THR A 67 0.887 -9.794 -9.202 1.00 0.00 O ATOM 1008 CB THR A 67 -0.686 -11.944 -11.131 1.00 0.00 C ATOM 1009 OG1 THR A 67 -1.236 -10.638 -11.338 1.00 0.00 O ATOM 1010 CG2 THR A 67 -1.805 -12.974 -11.119 1.00 0.00 C ATOM 0 H THR A 67 -0.918 -10.953 -8.296 1.00 0.00 H new ATOM 0 HA THR A 67 0.631 -12.931 -9.736 1.00 0.00 H new ATOM 0 HB THR A 67 -0.002 -12.183 -11.945 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.736 -10.623 -12.181 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.350 -12.931 -12.062 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.381 -13.970 -10.990 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.487 -12.761 -10.296 1.00 0.00 H new ATOM 1018 N GLU A 68 2.240 -11.050 -10.488 1.00 0.00 N ATOM 1019 CA GLU A 68 3.289 -10.039 -10.563 1.00 0.00 C ATOM 1020 C GLU A 68 2.688 -8.638 -10.637 1.00 0.00 C ATOM 1021 O GLU A 68 3.184 -7.704 -10.006 1.00 0.00 O ATOM 1022 CB GLU A 68 4.182 -10.288 -11.780 1.00 0.00 C ATOM 1023 CG GLU A 68 5.586 -9.728 -11.629 1.00 0.00 C ATOM 1024 CD GLU A 68 6.230 -9.400 -12.962 1.00 0.00 C ATOM 1025 OE1 GLU A 68 5.539 -8.831 -13.832 1.00 0.00 O ATOM 1026 OE2 GLU A 68 7.427 -9.713 -13.135 1.00 0.00 O ATOM 0 H GLU A 68 2.446 -11.910 -10.995 1.00 0.00 H new ATOM 0 HA GLU A 68 3.893 -10.110 -9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.245 -11.361 -11.960 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.715 -9.844 -12.659 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.550 -8.828 -11.016 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.206 -10.450 -11.098 1.00 0.00 H new ATOM 1033 N VAL A 69 1.619 -8.499 -11.414 1.00 0.00 N ATOM 1034 CA VAL A 69 0.950 -7.213 -11.571 1.00 0.00 C ATOM 1035 C VAL A 69 0.328 -6.753 -10.258 1.00 0.00 C ATOM 1036 O VAL A 69 0.570 -5.634 -9.803 1.00 0.00 O ATOM 1037 CB VAL A 69 -0.147 -7.279 -12.650 1.00 0.00 C ATOM 1038 CG1 VAL A 69 -1.125 -6.126 -12.489 1.00 0.00 C ATOM 1039 CG2 VAL A 69 0.472 -7.274 -14.040 1.00 0.00 C ATOM 0 H VAL A 69 1.197 -9.261 -11.945 1.00 0.00 H new ATOM 0 HA VAL A 69 1.711 -6.496 -11.880 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.698 -8.211 -12.526 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.893 -6.190 -13.260 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.593 -6.180 -11.506 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.592 -5.180 -12.585 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.318 -7.321 -14.790 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.049 -6.360 -14.178 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.128 -8.138 -14.149 1.00 0.00 H new ATOM 1049 N ARG A 70 -0.473 -7.623 -9.652 1.00 0.00 N ATOM 1050 CA ARG A 70 -1.131 -7.305 -8.390 1.00 0.00 C ATOM 1051 C ARG A 70 -0.153 -6.654 -7.416 1.00 0.00 C ATOM 1052 O ARG A 70 -0.448 -5.614 -6.827 1.00 0.00 O ATOM 1053 CB ARG A 70 -1.721 -8.571 -7.765 1.00 0.00 C ATOM 1054 CG ARG A 70 -2.729 -9.277 -8.658 1.00 0.00 C ATOM 1055 CD ARG A 70 -4.135 -8.737 -8.447 1.00 0.00 C ATOM 1056 NE ARG A 70 -4.944 -8.831 -9.659 1.00 0.00 N ATOM 1057 CZ ARG A 70 -4.712 -8.118 -10.755 1.00 0.00 C ATOM 1058 NH1 ARG A 70 -3.698 -7.264 -10.792 1.00 0.00 N ATOM 1059 NH2 ARG A 70 -5.493 -8.260 -11.818 1.00 0.00 N ATOM 0 H ARG A 70 -0.682 -8.553 -10.014 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.936 -6.600 -8.597 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.911 -9.261 -7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.203 -8.311 -6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.443 -9.151 -9.702 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.714 -10.347 -8.450 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.620 -9.292 -7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.080 -7.696 -8.128 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.731 -9.480 -9.664 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.094 -7.154 -9.977 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.522 -6.718 -11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.273 -8.917 -11.794 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.314 -7.712 -12.659 1.00 0.00 H new ATOM 1073 N VAL A 71 1.012 -7.272 -7.252 1.00 0.00 N ATOM 1074 CA VAL A 71 2.033 -6.753 -6.351 1.00 0.00 C ATOM 1075 C VAL A 71 2.625 -5.452 -6.882 1.00 0.00 C ATOM 1076 O VAL A 71 2.958 -4.550 -6.114 1.00 0.00 O ATOM 1077 CB VAL A 71 3.168 -7.772 -6.142 1.00 0.00 C ATOM 1078 CG1 VAL A 71 4.002 -7.402 -4.924 1.00 0.00 C ATOM 1079 CG2 VAL A 71 2.603 -9.178 -6.003 1.00 0.00 C ATOM 0 H VAL A 71 1.272 -8.134 -7.732 1.00 0.00 H new ATOM 0 HA VAL A 71 1.544 -6.563 -5.395 1.00 0.00 H new ATOM 0 HB VAL A 71 3.817 -7.750 -7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.799 -8.134 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.437 -6.413 -5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.368 -7.394 -4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.419 -9.885 -5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.930 -9.217 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.054 -9.441 -6.907 1.00 0.00 H new ATOM 1089 N TYR A 72 2.752 -5.362 -8.201 1.00 0.00 N ATOM 1090 CA TYR A 72 3.305 -4.172 -8.836 1.00 0.00 C ATOM 1091 C TYR A 72 2.436 -2.950 -8.554 1.00 0.00 C ATOM 1092 O TYR A 72 2.942 -1.845 -8.363 1.00 0.00 O ATOM 1093 CB TYR A 72 3.430 -4.385 -10.346 1.00 0.00 C ATOM 1094 CG TYR A 72 3.513 -3.098 -11.135 1.00 0.00 C ATOM 1095 CD1 TYR A 72 2.393 -2.293 -11.307 1.00 0.00 C ATOM 1096 CD2 TYR A 72 4.709 -2.687 -11.708 1.00 0.00 C ATOM 1097 CE1 TYR A 72 2.463 -1.116 -12.027 1.00 0.00 C ATOM 1098 CE2 TYR A 72 4.789 -1.511 -12.429 1.00 0.00 C ATOM 1099 CZ TYR A 72 3.664 -0.729 -12.586 1.00 0.00 C ATOM 1100 OH TYR A 72 3.739 0.442 -13.304 1.00 0.00 O ATOM 0 H TYR A 72 2.479 -6.099 -8.851 1.00 0.00 H new ATOM 0 HA TYR A 72 4.296 -3.995 -8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.319 -4.983 -10.548 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.573 -4.961 -10.695 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.452 -2.593 -10.870 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.592 -3.297 -11.588 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.583 -0.502 -12.152 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.728 -1.206 -12.867 1.00 0.00 H new ATOM 0 HH TYR A 72 4.655 0.569 -13.629 1.00 0.00 H new ATOM 1110 N ASN A 73 1.123 -3.158 -8.530 1.00 0.00 N ATOM 1111 CA ASN A 73 0.182 -2.075 -8.272 1.00 0.00 C ATOM 1112 C ASN A 73 0.205 -1.674 -6.800 1.00 0.00 C ATOM 1113 O ASN A 73 0.299 -0.492 -6.470 1.00 0.00 O ATOM 1114 CB ASN A 73 -1.233 -2.494 -8.676 1.00 0.00 C ATOM 1115 CG ASN A 73 -1.508 -2.258 -10.148 1.00 0.00 C ATOM 1116 OD1 ASN A 73 -1.848 -1.147 -10.557 1.00 0.00 O ATOM 1117 ND2 ASN A 73 -1.361 -3.304 -10.952 1.00 0.00 N ATOM 0 H ASN A 73 0.687 -4.067 -8.686 1.00 0.00 H new ATOM 0 HA ASN A 73 0.483 -1.215 -8.870 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.375 -3.550 -8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.957 -1.939 -8.080 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.531 -3.206 -11.953 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.078 -4.206 -10.569 1.00 0.00 H new ATOM 1124 N TRP A 74 0.120 -2.666 -5.921 1.00 0.00 N ATOM 1125 CA TRP A 74 0.131 -2.417 -4.484 1.00 0.00 C ATOM 1126 C TRP A 74 1.375 -1.634 -4.077 1.00 0.00 C ATOM 1127 O TRP A 74 1.309 -0.738 -3.236 1.00 0.00 O ATOM 1128 CB TRP A 74 0.071 -3.738 -3.716 1.00 0.00 C ATOM 1129 CG TRP A 74 0.011 -3.559 -2.229 1.00 0.00 C ATOM 1130 CD1 TRP A 74 -1.106 -3.590 -1.444 1.00 0.00 C ATOM 1131 CD2 TRP A 74 1.115 -3.318 -1.349 1.00 0.00 C ATOM 1132 NE1 TRP A 74 -0.764 -3.383 -0.130 1.00 0.00 N ATOM 1133 CE2 TRP A 74 0.593 -3.215 -0.045 1.00 0.00 C ATOM 1134 CE3 TRP A 74 2.493 -3.183 -1.536 1.00 0.00 C ATOM 1135 CZ2 TRP A 74 1.402 -2.981 1.064 1.00 0.00 C ATOM 1136 CZ3 TRP A 74 3.295 -2.950 -0.435 1.00 0.00 C ATOM 1137 CH2 TRP A 74 2.748 -2.852 0.852 1.00 0.00 C ATOM 0 H TRP A 74 0.043 -3.650 -6.178 1.00 0.00 H new ATOM 0 HA TRP A 74 -0.748 -1.821 -4.237 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -0.804 -4.300 -4.043 1.00 0.00 H new ATOM 0 HB3 TRP A 74 0.947 -4.336 -3.968 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.111 -3.753 -1.804 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.415 -3.358 0.655 1.00 0.00 H new ATOM 0 HE3 TRP A 74 2.924 -3.259 -2.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 0.982 -2.904 2.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 4.361 -2.842 -0.568 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.401 -2.671 1.693 1.00 0.00 H new ATOM 1148 N PHE A 75 2.509 -1.978 -4.679 1.00 0.00 N ATOM 1149 CA PHE A 75 3.768 -1.308 -4.379 1.00 0.00 C ATOM 1150 C PHE A 75 3.801 0.089 -4.992 1.00 0.00 C ATOM 1151 O PHE A 75 4.322 1.029 -4.394 1.00 0.00 O ATOM 1152 CB PHE A 75 4.947 -2.133 -4.899 1.00 0.00 C ATOM 1153 CG PHE A 75 5.475 -3.121 -3.899 1.00 0.00 C ATOM 1154 CD1 PHE A 75 4.763 -4.271 -3.598 1.00 0.00 C ATOM 1155 CD2 PHE A 75 6.684 -2.900 -3.259 1.00 0.00 C ATOM 1156 CE1 PHE A 75 5.246 -5.181 -2.677 1.00 0.00 C ATOM 1157 CE2 PHE A 75 7.173 -3.807 -2.338 1.00 0.00 C ATOM 1158 CZ PHE A 75 6.454 -4.949 -2.047 1.00 0.00 C ATOM 0 H PHE A 75 2.581 -2.717 -5.378 1.00 0.00 H new ATOM 0 HA PHE A 75 3.850 -1.213 -3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.638 -2.667 -5.797 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.752 -1.458 -5.191 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.819 -4.458 -4.089 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.251 -2.008 -3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 75 4.680 -6.072 -2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.117 -3.623 -1.846 1.00 0.00 H new ATOM 0 HZ PHE A 75 6.835 -5.660 -1.328 1.00 0.00 H new ATOM 1168 N ALA A 76 3.241 0.216 -6.191 1.00 0.00 N ATOM 1169 CA ALA A 76 3.204 1.497 -6.885 1.00 0.00 C ATOM 1170 C ALA A 76 2.441 2.539 -6.075 1.00 0.00 C ATOM 1171 O ALA A 76 2.885 3.677 -5.935 1.00 0.00 O ATOM 1172 CB ALA A 76 2.576 1.333 -8.262 1.00 0.00 C ATOM 0 H ALA A 76 2.807 -0.553 -6.702 1.00 0.00 H new ATOM 0 HA ALA A 76 4.229 1.847 -7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.555 2.297 -8.769 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.164 0.627 -8.849 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.559 0.957 -8.155 1.00 0.00 H new ATOM 1178 N ASN A 77 1.289 2.141 -5.543 1.00 0.00 N ATOM 1179 CA ASN A 77 0.464 3.043 -4.747 1.00 0.00 C ATOM 1180 C ASN A 77 1.164 3.413 -3.443 1.00 0.00 C ATOM 1181 O ASN A 77 1.050 4.542 -2.964 1.00 0.00 O ATOM 1182 CB ASN A 77 -0.889 2.395 -4.445 1.00 0.00 C ATOM 1183 CG ASN A 77 -1.962 3.419 -4.127 1.00 0.00 C ATOM 1184 OD1 ASN A 77 -2.476 3.468 -3.009 1.00 0.00 O ATOM 1185 ND2 ASN A 77 -2.304 4.244 -5.110 1.00 0.00 N ATOM 0 H ASN A 77 0.906 1.201 -5.649 1.00 0.00 H new ATOM 0 HA ASN A 77 0.304 3.954 -5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.202 1.798 -5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.782 1.712 -3.603 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.019 4.954 -4.954 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.851 4.167 -6.021 1.00 0.00 H new ATOM 1192 N ARG A 78 1.891 2.456 -2.875 1.00 0.00 N ATOM 1193 CA ARG A 78 2.609 2.682 -1.627 1.00 0.00 C ATOM 1194 C ARG A 78 3.771 3.649 -1.836 1.00 0.00 C ATOM 1195 O ARG A 78 4.207 4.322 -0.901 1.00 0.00 O ATOM 1196 CB ARG A 78 3.130 1.357 -1.067 1.00 0.00 C ATOM 1197 CG ARG A 78 2.029 0.425 -0.587 1.00 0.00 C ATOM 1198 CD ARG A 78 1.661 0.697 0.863 1.00 0.00 C ATOM 1199 NE ARG A 78 0.618 1.712 0.982 1.00 0.00 N ATOM 1200 CZ ARG A 78 -0.656 1.496 0.671 1.00 0.00 C ATOM 1201 NH1 ARG A 78 -1.041 0.308 0.226 1.00 0.00 N ATOM 1202 NH2 ARG A 78 -1.547 2.470 0.806 1.00 0.00 N ATOM 0 H ARG A 78 1.998 1.517 -3.259 1.00 0.00 H new ATOM 0 HA ARG A 78 1.915 3.124 -0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.713 0.851 -1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.807 1.563 -0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.147 0.547 -1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.355 -0.610 -0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.322 -0.228 1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.548 1.023 1.407 1.00 0.00 H new ATOM 0 HE ARG A 78 0.881 2.637 1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.359 -0.443 0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.019 0.145 -0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.254 3.385 1.149 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.525 2.304 0.567 1.00 0.00 H new