USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 836 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 106 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 109 MET CE :methyl -111:sc= 0 (180deg=-1.86!) USER MOD Set 1.3: A 110 SER OG : rot 95:sc= 0.471 USER MOD Set 2.1: A 96 THR OG1 : rot 180:sc= -0.0869 USER MOD Set 2.2: A 97 ASN : amide:sc= 0.00734 X(o=-0.08,f=0.31) USER MOD Set 3.1: A 65 LYS NZ :NH3+ 160:sc= -0.557 (180deg=-1.21) USER MOD Set 3.2: A 68 SER OG : rot -12:sc= -0.0996 USER MOD Set 4.1: A 23 TYR OH : rot -130:sc= -3.87! USER MOD Set 4.2: A 27 SER OG : rot 103:sc= 0.19 USER MOD Set 4.3: A 112 HIS : no HD1:sc= -5.54! C(o=-9.2!,f=-13!) USER MOD Single : A 12 TYR OH : rot 180:sc= -1.56! USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.36 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.222 K(o=-0.22,f=-1.9!) USER MOD Single : A 30 ASN : amide:sc= -0.0064 X(o=-0.0064,f=-0.0064) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.966 F(o=-3.1,f=-0.97) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.48 K(o=-1.5,f=-8.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -129:sc= -1.29 (180deg=-4.83!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.83 K(o=-1.8,f=-4.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= -0.0207 (180deg=-0.212) USER MOD Single : A 70 SER OG : rot 70:sc= 0.523 USER MOD Single : A 72 MET CE :methyl -162:sc= -1.75! (180deg=-1.84!) USER MOD Single : A 73 THR OG1 : rot -153:sc= -3.44! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 78:sc= 0.983 USER MOD Single : A 82 THR OG1 : rot -90:sc= -1.71 USER MOD Single : A 83 SER OG : rot -49:sc= 1.13 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 87 ASN : amide:sc= -0.0836 K(o=-0.084,f=-3.3!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 98 THR OG1 : rot -52:sc= -0.292 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -2.104 2.856 14.939 1.00 0.00 N ATOM 194 CA TYR A 12 -2.094 4.229 15.425 1.00 0.00 C ATOM 195 C TYR A 12 -3.462 4.881 15.253 1.00 0.00 C ATOM 196 O TYR A 12 -4.070 5.337 16.222 1.00 0.00 O ATOM 197 CB TYR A 12 -1.023 5.033 14.669 1.00 0.00 C ATOM 198 CG TYR A 12 0.104 4.172 14.128 1.00 0.00 C ATOM 199 CD1 TYR A 12 -0.153 3.142 13.227 1.00 0.00 C ATOM 200 CD2 TYR A 12 1.418 4.368 14.536 1.00 0.00 C ATOM 201 CE1 TYR A 12 0.857 2.335 12.752 1.00 0.00 C ATOM 202 CE2 TYR A 12 2.440 3.567 14.059 1.00 0.00 C ATOM 203 CZ TYR A 12 2.154 2.551 13.168 1.00 0.00 C ATOM 204 OH TYR A 12 3.166 1.748 12.695 1.00 0.00 O ATOM 0 HA TYR A 12 -1.859 4.220 16.489 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.494 5.564 13.842 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.606 5.787 15.337 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.166 2.972 12.893 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.645 5.158 15.236 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.635 1.538 12.058 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.457 3.735 14.382 1.00 0.00 H new ATOM 0 HH TYR A 12 4.019 2.033 13.085 1.00 0.00 H new ATOM 214 N GLY A 13 -3.943 4.921 14.015 1.00 0.00 N ATOM 215 CA GLY A 13 -5.237 5.518 13.742 1.00 0.00 C ATOM 216 C GLY A 13 -5.405 5.903 12.285 1.00 0.00 C ATOM 217 O GLY A 13 -5.907 5.115 11.483 1.00 0.00 O ATOM 0 H GLY A 13 -3.460 4.551 13.196 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.023 4.817 14.022 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.363 6.403 14.365 1.00 0.00 H new ATOM 221 N ILE A 14 -4.986 7.117 11.942 1.00 0.00 N ATOM 222 CA ILE A 14 -5.095 7.605 10.571 1.00 0.00 C ATOM 223 C ILE A 14 -4.458 6.626 9.590 1.00 0.00 C ATOM 224 O ILE A 14 -5.023 6.332 8.536 1.00 0.00 O ATOM 225 CB ILE A 14 -4.433 8.989 10.412 1.00 0.00 C ATOM 226 CG1 ILE A 14 -4.655 9.528 8.998 1.00 0.00 C ATOM 227 CG2 ILE A 14 -2.947 8.909 10.728 1.00 0.00 C ATOM 228 CD1 ILE A 14 -6.115 9.634 8.613 1.00 0.00 C ATOM 0 H ILE A 14 -4.568 7.781 12.594 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.158 7.696 10.348 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.897 9.677 11.119 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.194 10.512 8.917 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.146 8.878 8.286 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.496 9.895 10.611 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.811 8.568 11.754 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.467 8.207 10.046 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.196 10.023 7.598 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.577 8.648 8.662 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.625 10.308 9.302 1.00 0.00 H new ATOM 240 N GLU A 15 -3.283 6.120 9.946 1.00 0.00 N ATOM 241 CA GLU A 15 -2.576 5.169 9.099 1.00 0.00 C ATOM 242 C GLU A 15 -3.274 3.814 9.115 1.00 0.00 C ATOM 243 O GLU A 15 -3.229 3.069 8.137 1.00 0.00 O ATOM 244 CB GLU A 15 -1.125 5.020 9.561 1.00 0.00 C ATOM 245 CG GLU A 15 -0.161 5.950 8.842 1.00 0.00 C ATOM 246 CD GLU A 15 0.825 6.611 9.784 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.422 5.895 10.616 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.001 7.845 9.692 1.00 0.00 O ATOM 0 H GLU A 15 -2.801 6.352 10.814 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.582 5.550 8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.072 5.212 10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.807 3.989 9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.386 5.386 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.728 6.719 8.317 1.00 0.00 H new ATOM 255 N GLY A 16 -3.927 3.504 10.232 1.00 0.00 N ATOM 256 CA GLY A 16 -4.632 2.242 10.348 1.00 0.00 C ATOM 257 C GLY A 16 -5.940 2.249 9.587 1.00 0.00 C ATOM 258 O GLY A 16 -6.395 1.209 9.110 1.00 0.00 O ATOM 0 H GLY A 16 -3.980 4.103 11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.999 1.438 9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.826 2.031 11.400 1.00 0.00 H new ATOM 262 N ARG A 17 -6.545 3.426 9.468 1.00 0.00 N ATOM 263 CA ARG A 17 -7.805 3.564 8.752 1.00 0.00 C ATOM 264 C ARG A 17 -7.586 3.414 7.254 1.00 0.00 C ATOM 265 O ARG A 17 -8.452 2.911 6.543 1.00 0.00 O ATOM 266 CB ARG A 17 -8.451 4.917 9.058 1.00 0.00 C ATOM 267 CG ARG A 17 -9.902 5.012 8.618 1.00 0.00 C ATOM 268 CD ARG A 17 -10.680 5.997 9.474 1.00 0.00 C ATOM 269 NE ARG A 17 -11.393 5.335 10.564 1.00 0.00 N ATOM 270 CZ ARG A 17 -12.293 5.937 11.335 1.00 0.00 C ATOM 271 NH1 ARG A 17 -12.596 7.214 11.141 1.00 0.00 N ATOM 272 NH2 ARG A 17 -12.895 5.260 12.305 1.00 0.00 N ATOM 0 H ARG A 17 -6.183 4.296 9.858 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.477 2.774 9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.392 5.104 10.130 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.879 5.703 8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.947 5.321 7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.367 4.028 8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.995 6.738 9.887 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.393 6.535 8.849 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.188 4.352 10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.137 7.740 10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.288 7.670 11.736 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.667 4.278 12.459 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.586 5.722 12.897 1.00 0.00 H new ATOM 286 N TYR A 18 -6.418 3.840 6.777 1.00 0.00 N ATOM 287 CA TYR A 18 -6.095 3.733 5.358 1.00 0.00 C ATOM 288 C TYR A 18 -6.390 2.325 4.856 1.00 0.00 C ATOM 289 O TYR A 18 -6.774 2.130 3.703 1.00 0.00 O ATOM 290 CB TYR A 18 -4.624 4.077 5.115 1.00 0.00 C ATOM 291 CG TYR A 18 -4.416 5.421 4.456 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.594 6.597 5.171 1.00 0.00 C ATOM 293 CD2 TYR A 18 -4.041 5.512 3.121 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.405 7.828 4.575 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.850 6.741 2.517 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.033 7.895 3.248 1.00 0.00 C ATOM 297 OH TYR A 18 -3.844 9.121 2.651 1.00 0.00 O ATOM 0 H TYR A 18 -5.685 4.260 7.349 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.714 4.442 4.809 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.095 4.063 6.068 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.177 3.303 4.491 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.885 6.549 6.210 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.897 4.609 2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.548 8.734 5.145 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.559 6.796 1.478 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.584 8.992 1.715 1.00 0.00 H new ATOM 307 N ALA A 19 -6.221 1.350 5.741 1.00 0.00 N ATOM 308 CA ALA A 19 -6.482 -0.037 5.400 1.00 0.00 C ATOM 309 C ALA A 19 -7.977 -0.320 5.443 1.00 0.00 C ATOM 310 O ALA A 19 -8.518 -0.974 4.559 1.00 0.00 O ATOM 311 CB ALA A 19 -5.737 -0.969 6.345 1.00 0.00 C ATOM 0 H ALA A 19 -5.904 1.497 6.699 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.123 -0.217 4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.945 -2.004 6.074 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.666 -0.782 6.270 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.066 -0.789 7.368 1.00 0.00 H new ATOM 317 N THR A 20 -8.643 0.185 6.475 1.00 0.00 N ATOM 318 CA THR A 20 -10.079 -0.015 6.618 1.00 0.00 C ATOM 319 C THR A 20 -10.852 0.818 5.602 1.00 0.00 C ATOM 320 O THR A 20 -11.986 0.488 5.254 1.00 0.00 O ATOM 321 CB THR A 20 -10.535 0.314 8.042 1.00 0.00 C ATOM 322 OG1 THR A 20 -9.465 0.844 8.805 1.00 0.00 O ATOM 323 CG2 THR A 20 -11.074 -0.890 8.785 1.00 0.00 C ATOM 0 H THR A 20 -8.214 0.733 7.221 1.00 0.00 H new ATOM 0 HA THR A 20 -10.290 -1.067 6.424 1.00 0.00 H new ATOM 0 HB THR A 20 -11.336 1.045 7.928 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.779 1.048 9.711 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.380 -0.592 9.788 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.932 -1.294 8.248 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.298 -1.652 8.855 1.00 0.00 H new ATOM 331 N ALA A 21 -10.232 1.888 5.112 1.00 0.00 N ATOM 332 CA ALA A 21 -10.872 2.744 4.122 1.00 0.00 C ATOM 333 C ALA A 21 -10.400 2.391 2.716 1.00 0.00 C ATOM 334 O ALA A 21 -10.794 3.025 1.737 1.00 0.00 O ATOM 335 CB ALA A 21 -10.604 4.210 4.427 1.00 0.00 C ATOM 0 H ALA A 21 -9.293 2.180 5.383 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.948 2.576 4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.090 4.833 3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.999 4.455 5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.530 4.395 4.411 1.00 0.00 H new ATOM 341 N LEU A 22 -9.576 1.353 2.624 1.00 0.00 N ATOM 342 CA LEU A 22 -9.071 0.880 1.344 1.00 0.00 C ATOM 343 C LEU A 22 -9.525 -0.541 1.148 1.00 0.00 C ATOM 344 O LEU A 22 -9.949 -0.931 0.059 1.00 0.00 O ATOM 345 CB LEU A 22 -7.544 0.976 1.287 1.00 0.00 C ATOM 346 CG LEU A 22 -6.915 0.620 -0.064 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.947 -0.883 -0.290 1.00 0.00 C ATOM 348 CD2 LEU A 22 -7.629 1.348 -1.195 1.00 0.00 C ATOM 0 H LEU A 22 -9.243 0.821 3.428 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.463 1.506 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.250 1.992 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.126 0.317 2.048 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.874 0.942 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.496 -1.116 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.388 -1.382 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.980 -1.231 -0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.168 1.083 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.680 1.059 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.551 2.424 -1.042 1.00 0.00 H new ATOM 360 N TYR A 23 -9.483 -1.303 2.226 1.00 0.00 N ATOM 361 CA TYR A 23 -9.942 -2.661 2.182 1.00 0.00 C ATOM 362 C TYR A 23 -11.461 -2.676 2.301 1.00 0.00 C ATOM 363 O TYR A 23 -12.094 -3.688 2.026 1.00 0.00 O ATOM 364 CB TYR A 23 -9.290 -3.492 3.286 1.00 0.00 C ATOM 365 CG TYR A 23 -10.272 -4.083 4.262 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.955 -5.247 3.954 1.00 0.00 C ATOM 367 CD2 TYR A 23 -10.517 -3.475 5.483 1.00 0.00 C ATOM 368 CE1 TYR A 23 -11.856 -5.799 4.835 1.00 0.00 C ATOM 369 CE2 TYR A 23 -11.423 -4.012 6.371 1.00 0.00 C ATOM 370 CZ TYR A 23 -12.089 -5.177 6.044 1.00 0.00 C ATOM 371 OH TYR A 23 -13.001 -5.708 6.919 1.00 0.00 O ATOM 0 H TYR A 23 -9.135 -0.997 3.135 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.656 -3.111 1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.715 -4.298 2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.583 -2.865 3.830 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.777 -5.731 3.005 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.991 -2.568 5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.376 -6.711 4.582 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.611 -3.525 7.317 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.619 -5.007 7.213 1.00 0.00 H new ATOM 381 N SER A 24 -12.057 -1.534 2.685 1.00 0.00 N ATOM 382 CA SER A 24 -13.509 -1.450 2.786 1.00 0.00 C ATOM 383 C SER A 24 -14.112 -1.973 1.491 1.00 0.00 C ATOM 384 O SER A 24 -15.151 -2.634 1.489 1.00 0.00 O ATOM 385 CB SER A 24 -13.955 -0.009 3.043 1.00 0.00 C ATOM 386 OG SER A 24 -15.299 0.190 2.644 1.00 0.00 O ATOM 0 H SER A 24 -11.560 -0.676 2.925 1.00 0.00 H new ATOM 0 HA SER A 24 -13.853 -2.053 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.849 0.224 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.306 0.678 2.500 1.00 0.00 H new ATOM 0 HG SER A 24 -15.559 1.118 2.821 1.00 0.00 H new ATOM 392 N ALA A 25 -13.405 -1.709 0.397 1.00 0.00 N ATOM 393 CA ALA A 25 -13.807 -2.187 -0.909 1.00 0.00 C ATOM 394 C ALA A 25 -13.307 -3.614 -1.074 1.00 0.00 C ATOM 395 O ALA A 25 -13.975 -4.457 -1.673 1.00 0.00 O ATOM 396 CB ALA A 25 -13.257 -1.289 -2.007 1.00 0.00 C ATOM 0 H ALA A 25 -12.544 -1.161 0.396 1.00 0.00 H new ATOM 0 HA ALA A 25 -14.894 -2.167 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.572 -1.668 -2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.636 -0.276 -1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.168 -1.279 -1.957 1.00 0.00 H new ATOM 402 N ALA A 26 -12.128 -3.881 -0.505 1.00 0.00 N ATOM 403 CA ALA A 26 -11.542 -5.213 -0.555 1.00 0.00 C ATOM 404 C ALA A 26 -12.408 -6.206 0.213 1.00 0.00 C ATOM 405 O ALA A 26 -12.424 -7.397 -0.091 1.00 0.00 O ATOM 406 CB ALA A 26 -10.132 -5.193 0.017 1.00 0.00 C ATOM 0 H ALA A 26 -11.566 -3.191 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.492 -5.529 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.707 -6.196 -0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.513 -4.511 -0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.165 -4.858 1.054 1.00 0.00 H new ATOM 412 N SER A 27 -13.136 -5.702 1.210 1.00 0.00 N ATOM 413 CA SER A 27 -14.011 -6.537 2.021 1.00 0.00 C ATOM 414 C SER A 27 -15.147 -7.085 1.169 1.00 0.00 C ATOM 415 O SER A 27 -15.438 -8.280 1.199 1.00 0.00 O ATOM 416 CB SER A 27 -14.577 -5.737 3.195 1.00 0.00 C ATOM 417 OG SER A 27 -14.938 -6.589 4.269 1.00 0.00 O ATOM 0 H SER A 27 -13.134 -4.716 1.473 1.00 0.00 H new ATOM 0 HA SER A 27 -13.428 -7.369 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.837 -5.012 3.535 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.449 -5.172 2.867 1.00 0.00 H new ATOM 0 HG SER A 27 -14.258 -6.534 4.973 1.00 0.00 H new ATOM 423 N LYS A 28 -15.777 -6.201 0.394 1.00 0.00 N ATOM 424 CA LYS A 28 -16.872 -6.601 -0.484 1.00 0.00 C ATOM 425 C LYS A 28 -16.460 -7.821 -1.296 1.00 0.00 C ATOM 426 O LYS A 28 -17.275 -8.696 -1.589 1.00 0.00 O ATOM 427 CB LYS A 28 -17.257 -5.452 -1.417 1.00 0.00 C ATOM 428 CG LYS A 28 -18.224 -4.459 -0.792 1.00 0.00 C ATOM 429 CD LYS A 28 -18.663 -3.404 -1.794 1.00 0.00 C ATOM 430 CE LYS A 28 -19.895 -3.848 -2.566 1.00 0.00 C ATOM 431 NZ LYS A 28 -20.749 -2.693 -2.961 1.00 0.00 N ATOM 0 H LYS A 28 -15.547 -5.208 0.358 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.739 -6.853 0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.353 -4.924 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.706 -5.864 -2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.098 -4.989 -0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.750 -3.976 0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.876 -2.471 -1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.849 -3.201 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.587 -4.394 -3.458 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.477 -4.538 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.578 -3.038 -3.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -21.064 -2.187 -2.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.202 -2.047 -3.565 1.00 0.00 H new ATOM 445 N GLN A 29 -15.176 -7.876 -1.633 1.00 0.00 N ATOM 446 CA GLN A 29 -14.629 -8.992 -2.385 1.00 0.00 C ATOM 447 C GLN A 29 -14.205 -10.095 -1.425 1.00 0.00 C ATOM 448 O GLN A 29 -14.460 -11.275 -1.668 1.00 0.00 O ATOM 449 CB GLN A 29 -13.435 -8.537 -3.228 1.00 0.00 C ATOM 450 CG GLN A 29 -13.699 -7.269 -4.021 1.00 0.00 C ATOM 451 CD GLN A 29 -12.996 -7.264 -5.365 1.00 0.00 C ATOM 452 OE1 GLN A 29 -12.736 -8.318 -5.946 1.00 0.00 O ATOM 453 NE2 GLN A 29 -12.681 -6.074 -5.863 1.00 0.00 N ATOM 0 H GLN A 29 -14.494 -7.156 -1.394 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.396 -9.376 -3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.579 -8.374 -2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.162 -9.336 -3.917 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.772 -7.159 -4.176 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.371 -6.407 -3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.916 -5.226 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.204 -6.007 -6.762 1.00 0.00 H new ATOM 462 N ASN A 30 -13.552 -9.694 -0.328 1.00 0.00 N ATOM 463 CA ASN A 30 -13.081 -10.631 0.692 1.00 0.00 C ATOM 464 C ASN A 30 -11.698 -11.140 0.333 1.00 0.00 C ATOM 465 O ASN A 30 -11.349 -12.287 0.613 1.00 0.00 O ATOM 466 CB ASN A 30 -14.049 -11.806 0.865 1.00 0.00 C ATOM 467 CG ASN A 30 -13.955 -12.435 2.241 1.00 0.00 C ATOM 468 OD1 ASN A 30 -13.412 -13.528 2.402 1.00 0.00 O ATOM 469 ND2 ASN A 30 -14.487 -11.746 3.245 1.00 0.00 N ATOM 0 H ASN A 30 -13.338 -8.718 -0.125 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.033 -10.097 1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.069 -11.461 0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.838 -12.561 0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.455 -12.120 4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.928 -10.843 3.067 1.00 0.00 H new ATOM 476 N LYS A 31 -10.915 -10.273 -0.291 1.00 0.00 N ATOM 477 CA LYS A 31 -9.567 -10.620 -0.697 1.00 0.00 C ATOM 478 C LYS A 31 -8.540 -9.910 0.178 1.00 0.00 C ATOM 479 O LYS A 31 -7.478 -9.515 -0.299 1.00 0.00 O ATOM 480 CB LYS A 31 -9.342 -10.276 -2.170 1.00 0.00 C ATOM 481 CG LYS A 31 -10.587 -10.407 -3.037 1.00 0.00 C ATOM 482 CD LYS A 31 -10.900 -11.864 -3.343 1.00 0.00 C ATOM 483 CE LYS A 31 -12.390 -12.148 -3.242 1.00 0.00 C ATOM 484 NZ LYS A 31 -12.812 -13.236 -4.167 1.00 0.00 N ATOM 0 H LYS A 31 -11.194 -9.321 -0.527 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.441 -11.695 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.969 -9.254 -2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.564 -10.927 -2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.436 -9.950 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.442 -9.861 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.549 -12.110 -4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.358 -12.507 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.638 -12.426 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.949 -11.240 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.834 -13.399 -4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.599 -12.961 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.298 -14.109 -3.933 1.00 0.00 H new ATOM 498 N LEU A 32 -8.857 -9.767 1.469 1.00 0.00 N ATOM 499 CA LEU A 32 -7.953 -9.127 2.423 1.00 0.00 C ATOM 500 C LEU A 32 -6.525 -9.600 2.199 1.00 0.00 C ATOM 501 O LEU A 32 -5.580 -8.841 2.368 1.00 0.00 O ATOM 502 CB LEU A 32 -8.406 -9.457 3.841 1.00 0.00 C ATOM 503 CG LEU A 32 -9.515 -8.554 4.363 1.00 0.00 C ATOM 504 CD1 LEU A 32 -10.100 -9.103 5.652 1.00 0.00 C ATOM 505 CD2 LEU A 32 -8.973 -7.154 4.562 1.00 0.00 C ATOM 0 H LEU A 32 -9.736 -10.088 1.876 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.979 -8.047 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.750 -10.491 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.549 -9.387 4.511 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.321 -8.519 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.890 -8.440 6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.513 -10.095 5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.317 -9.169 6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.766 -6.506 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.156 -7.179 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.607 -6.767 3.611 1.00 0.00 H new ATOM 517 N GLU A 33 -6.385 -10.856 1.788 1.00 0.00 N ATOM 518 CA GLU A 33 -5.070 -11.426 1.510 1.00 0.00 C ATOM 519 C GLU A 33 -4.523 -10.856 0.206 1.00 0.00 C ATOM 520 O GLU A 33 -3.345 -10.515 0.104 1.00 0.00 O ATOM 521 CB GLU A 33 -5.155 -12.951 1.423 1.00 0.00 C ATOM 522 CG GLU A 33 -5.817 -13.594 2.629 1.00 0.00 C ATOM 523 CD GLU A 33 -4.820 -13.987 3.702 1.00 0.00 C ATOM 524 OE1 GLU A 33 -3.927 -14.809 3.410 1.00 0.00 O ATOM 525 OE2 GLU A 33 -4.933 -13.471 4.834 1.00 0.00 O ATOM 0 H GLU A 33 -7.164 -11.498 1.640 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.395 -11.163 2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.710 -13.225 0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.149 -13.357 1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.545 -12.901 3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.367 -14.479 2.308 1.00 0.00 H new ATOM 532 N GLN A 34 -5.405 -10.740 -0.780 1.00 0.00 N ATOM 533 CA GLN A 34 -5.051 -10.193 -2.084 1.00 0.00 C ATOM 534 C GLN A 34 -4.569 -8.753 -1.949 1.00 0.00 C ATOM 535 O GLN A 34 -3.794 -8.265 -2.771 1.00 0.00 O ATOM 536 CB GLN A 34 -6.265 -10.251 -3.008 1.00 0.00 C ATOM 537 CG GLN A 34 -6.013 -9.702 -4.399 1.00 0.00 C ATOM 538 CD GLN A 34 -5.042 -10.550 -5.199 1.00 0.00 C ATOM 539 OE1 GLN A 34 -4.061 -9.902 -5.819 1.00 0.00 O flip ATOM 540 NE2 GLN A 34 -5.171 -11.773 -5.258 1.00 0.00 N flip ATOM 0 H GLN A 34 -6.382 -11.021 -0.699 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.242 -10.788 -2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.594 -11.287 -3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.082 -9.693 -2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.959 -9.637 -4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.622 -8.688 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.939 -12.229 -4.766 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.510 -12.330 -5.799 1.00 0.00 H new ATOM 549 N VAL A 35 -5.038 -8.080 -0.905 1.00 0.00 N ATOM 550 CA VAL A 35 -4.663 -6.694 -0.655 1.00 0.00 C ATOM 551 C VAL A 35 -3.690 -6.591 0.517 1.00 0.00 C ATOM 552 O VAL A 35 -2.997 -5.587 0.676 1.00 0.00 O ATOM 553 CB VAL A 35 -5.901 -5.815 -0.358 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.728 -4.437 -0.974 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.188 -6.475 -0.859 1.00 0.00 C ATOM 0 H VAL A 35 -5.680 -8.473 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.179 -6.331 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.987 -5.707 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.606 -3.829 -0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.843 -3.959 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.610 -4.533 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.038 -5.831 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.123 -6.628 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.320 -7.437 -0.364 1.00 0.00 H new ATOM 565 N GLU A 36 -3.639 -7.641 1.330 1.00 0.00 N ATOM 566 CA GLU A 36 -2.746 -7.676 2.482 1.00 0.00 C ATOM 567 C GLU A 36 -1.384 -8.193 2.053 1.00 0.00 C ATOM 568 O GLU A 36 -0.349 -7.635 2.413 1.00 0.00 O ATOM 569 CB GLU A 36 -3.316 -8.562 3.593 1.00 0.00 C ATOM 570 CG GLU A 36 -2.379 -8.736 4.779 1.00 0.00 C ATOM 571 CD GLU A 36 -2.922 -9.704 5.812 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.411 -10.782 5.417 1.00 0.00 O ATOM 573 OE2 GLU A 36 -2.856 -9.383 7.018 1.00 0.00 O ATOM 0 H GLU A 36 -4.207 -8.480 1.212 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.647 -6.664 2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.254 -8.132 3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.550 -9.543 3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.412 -9.093 4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.209 -7.767 5.248 1.00 0.00 H new ATOM 580 N LYS A 37 -1.402 -9.259 1.258 1.00 0.00 N ATOM 581 CA LYS A 37 -0.174 -9.845 0.752 1.00 0.00 C ATOM 582 C LYS A 37 0.510 -8.853 -0.167 1.00 0.00 C ATOM 583 O LYS A 37 1.733 -8.712 -0.147 1.00 0.00 O ATOM 584 CB LYS A 37 -0.464 -11.150 0.008 1.00 0.00 C ATOM 585 CG LYS A 37 0.759 -12.036 -0.162 1.00 0.00 C ATOM 586 CD LYS A 37 0.706 -12.813 -1.468 1.00 0.00 C ATOM 587 CE LYS A 37 -0.063 -14.115 -1.311 1.00 0.00 C ATOM 588 NZ LYS A 37 -0.514 -14.656 -2.623 1.00 0.00 N ATOM 0 H LYS A 37 -2.254 -9.731 0.953 1.00 0.00 H new ATOM 0 HA LYS A 37 0.484 -10.076 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.232 -11.704 0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.872 -10.915 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.660 -11.423 -0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.825 -12.732 0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.235 -12.201 -2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.720 -13.027 -1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.568 -14.851 -0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.929 -13.950 -0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.034 -15.544 -2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.136 -13.965 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.313 -14.838 -3.226 1.00 0.00 H new ATOM 602 N GLU A 38 -0.291 -8.141 -0.955 1.00 0.00 N ATOM 603 CA GLU A 38 0.241 -7.141 -1.851 1.00 0.00 C ATOM 604 C GLU A 38 0.871 -6.018 -1.042 1.00 0.00 C ATOM 605 O GLU A 38 2.030 -5.667 -1.251 1.00 0.00 O ATOM 606 CB GLU A 38 -0.876 -6.606 -2.742 1.00 0.00 C ATOM 607 CG GLU A 38 -1.075 -7.407 -4.020 1.00 0.00 C ATOM 608 CD GLU A 38 -1.133 -8.903 -3.775 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.162 -9.452 -3.215 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.152 -9.525 -4.142 1.00 0.00 O ATOM 0 H GLU A 38 -1.305 -8.243 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 38 1.008 -7.584 -2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.808 -6.602 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.656 -5.571 -3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.998 -7.087 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.261 -7.188 -4.711 1.00 0.00 H new ATOM 617 N LEU A 39 0.104 -5.467 -0.105 1.00 0.00 N ATOM 618 CA LEU A 39 0.591 -4.388 0.747 1.00 0.00 C ATOM 619 C LEU A 39 1.971 -4.720 1.305 1.00 0.00 C ATOM 620 O LEU A 39 2.792 -3.830 1.526 1.00 0.00 O ATOM 621 CB LEU A 39 -0.391 -4.135 1.894 1.00 0.00 C ATOM 622 CG LEU A 39 -1.452 -3.070 1.614 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.629 -3.228 2.565 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.852 -1.676 1.732 1.00 0.00 C ATOM 0 H LEU A 39 -0.858 -5.751 0.083 1.00 0.00 H new ATOM 0 HA LEU A 39 0.671 -3.485 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.893 -5.072 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.174 -3.839 2.778 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.814 -3.203 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.375 -2.462 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.074 -4.214 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.283 -3.121 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.621 -0.931 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.463 -1.531 2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.042 -1.566 1.011 1.00 0.00 H new ATOM 636 N LEU A 40 2.223 -6.008 1.524 1.00 0.00 N ATOM 637 CA LEU A 40 3.508 -6.453 2.050 1.00 0.00 C ATOM 638 C LEU A 40 4.647 -6.037 1.122 1.00 0.00 C ATOM 639 O LEU A 40 5.785 -5.866 1.559 1.00 0.00 O ATOM 640 CB LEU A 40 3.511 -7.972 2.232 1.00 0.00 C ATOM 641 CG LEU A 40 4.726 -8.532 2.973 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.652 -8.194 4.454 1.00 0.00 C ATOM 643 CD2 LEU A 40 4.823 -10.038 2.772 1.00 0.00 C ATOM 0 H LEU A 40 1.556 -6.759 1.346 1.00 0.00 H new ATOM 0 HA LEU A 40 3.660 -5.979 3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.610 -8.260 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.456 -8.441 1.249 1.00 0.00 H new ATOM 0 HG LEU A 40 5.624 -8.070 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.525 -8.601 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.630 -7.111 4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.748 -8.627 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.693 -10.421 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.922 -10.515 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.924 -10.257 1.709 1.00 0.00 H new ATOM 655 N ARG A 41 4.331 -5.875 -0.161 1.00 0.00 N ATOM 656 CA ARG A 41 5.327 -5.478 -1.150 1.00 0.00 C ATOM 657 C ARG A 41 5.798 -4.047 -0.909 1.00 0.00 C ATOM 658 O ARG A 41 6.994 -3.762 -0.961 1.00 0.00 O ATOM 659 CB ARG A 41 4.757 -5.615 -2.563 1.00 0.00 C ATOM 660 CG ARG A 41 4.805 -7.036 -3.104 1.00 0.00 C ATOM 661 CD ARG A 41 4.149 -8.023 -2.151 1.00 0.00 C ATOM 662 NE ARG A 41 5.058 -8.442 -1.087 1.00 0.00 N ATOM 663 CZ ARG A 41 6.152 -9.173 -1.291 1.00 0.00 C ATOM 664 NH1 ARG A 41 6.475 -9.568 -2.517 1.00 0.00 N ATOM 665 NH2 ARG A 41 6.924 -9.510 -0.268 1.00 0.00 N ATOM 0 H ARG A 41 3.394 -6.013 -0.539 1.00 0.00 H new ATOM 0 HA ARG A 41 6.186 -6.141 -1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.723 -5.270 -2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.312 -4.960 -3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.303 -7.075 -4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.842 -7.327 -3.272 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.262 -7.568 -1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.815 -8.898 -2.708 1.00 0.00 H new ATOM 0 HE ARG A 41 4.842 -8.158 -0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.884 -9.312 -3.308 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.314 -10.128 -2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.680 -9.209 0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.762 -10.070 -0.424 1.00 0.00 H new ATOM 679 N VAL A 42 4.853 -3.149 -0.640 1.00 0.00 N ATOM 680 CA VAL A 42 5.184 -1.750 -0.388 1.00 0.00 C ATOM 681 C VAL A 42 6.156 -1.624 0.783 1.00 0.00 C ATOM 682 O VAL A 42 6.968 -0.700 0.830 1.00 0.00 O ATOM 683 CB VAL A 42 3.918 -0.912 -0.094 1.00 0.00 C ATOM 684 CG1 VAL A 42 4.289 0.510 0.305 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.990 -0.902 -1.299 1.00 0.00 C ATOM 0 H VAL A 42 3.857 -3.364 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 42 5.655 -1.365 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 42 3.393 -1.374 0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.382 1.080 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.909 0.486 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.842 0.983 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.105 -0.307 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.509 -0.469 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.690 -1.923 -1.536 1.00 0.00 H new ATOM 695 N GLY A 43 6.068 -2.560 1.722 1.00 0.00 N ATOM 696 CA GLY A 43 6.947 -2.535 2.875 1.00 0.00 C ATOM 697 C GLY A 43 8.391 -2.814 2.508 1.00 0.00 C ATOM 698 O GLY A 43 9.293 -2.076 2.905 1.00 0.00 O ATOM 0 H GLY A 43 5.404 -3.334 1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.880 -1.560 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.610 -3.275 3.601 1.00 0.00 H new ATOM 702 N GLN A 44 8.610 -3.882 1.748 1.00 0.00 N ATOM 703 CA GLN A 44 9.955 -4.256 1.326 1.00 0.00 C ATOM 704 C GLN A 44 10.510 -3.244 0.330 1.00 0.00 C ATOM 705 O GLN A 44 11.716 -3.000 0.285 1.00 0.00 O ATOM 706 CB GLN A 44 9.946 -5.653 0.702 1.00 0.00 C ATOM 707 CG GLN A 44 9.896 -6.776 1.726 1.00 0.00 C ATOM 708 CD GLN A 44 8.483 -7.095 2.172 1.00 0.00 C ATOM 709 OE1 GLN A 44 7.645 -7.509 1.371 1.00 0.00 O ATOM 710 NE2 GLN A 44 8.210 -6.902 3.458 1.00 0.00 N ATOM 0 H GLN A 44 7.874 -4.503 1.412 1.00 0.00 H new ATOM 0 HA GLN A 44 10.598 -4.264 2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.086 -5.740 0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.838 -5.773 0.087 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.350 -7.671 1.301 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.493 -6.498 2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.935 -6.557 4.087 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.275 -7.099 3.816 1.00 0.00 H new ATOM 719 N ILE A 45 9.622 -2.656 -0.466 1.00 0.00 N ATOM 720 CA ILE A 45 10.022 -1.668 -1.459 1.00 0.00 C ATOM 721 C ILE A 45 10.397 -0.350 -0.794 1.00 0.00 C ATOM 722 O ILE A 45 11.353 0.310 -1.197 1.00 0.00 O ATOM 723 CB ILE A 45 8.898 -1.424 -2.488 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.483 -2.742 -3.142 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.340 -0.422 -3.546 1.00 0.00 C ATOM 726 CD1 ILE A 45 7.032 -2.775 -3.568 1.00 0.00 C ATOM 0 H ILE A 45 8.620 -2.848 -0.442 1.00 0.00 H new ATOM 0 HA ILE A 45 10.894 -2.066 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 45 8.038 -1.007 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.113 -2.920 -4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.667 -3.558 -2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.531 -0.266 -4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.590 0.525 -3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.216 -0.807 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.808 -3.740 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.394 -2.629 -2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.847 -1.980 -4.291 1.00 0.00 H new ATOM 738 N LEU A 46 9.642 0.025 0.231 1.00 0.00 N ATOM 739 CA LEU A 46 9.908 1.262 0.953 1.00 0.00 C ATOM 740 C LEU A 46 11.084 1.080 1.902 1.00 0.00 C ATOM 741 O LEU A 46 11.884 1.994 2.103 1.00 0.00 O ATOM 742 CB LEU A 46 8.670 1.699 1.735 1.00 0.00 C ATOM 743 CG LEU A 46 8.543 3.207 1.949 1.00 0.00 C ATOM 744 CD1 LEU A 46 9.838 3.781 2.505 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.162 3.900 0.648 1.00 0.00 C ATOM 0 H LEU A 46 8.845 -0.507 0.580 1.00 0.00 H new ATOM 0 HA LEU A 46 10.158 2.036 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.783 1.345 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.681 1.208 2.708 1.00 0.00 H new ATOM 0 HG LEU A 46 7.752 3.386 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.727 4.856 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.065 3.307 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.651 3.592 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.076 4.973 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.930 3.713 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.207 3.511 0.295 1.00 0.00 H new ATOM 757 N LYS A 47 11.183 -0.111 2.478 1.00 0.00 N ATOM 758 CA LYS A 47 12.260 -0.428 3.403 1.00 0.00 C ATOM 759 C LYS A 47 13.573 -0.632 2.654 1.00 0.00 C ATOM 760 O LYS A 47 14.653 -0.443 3.215 1.00 0.00 O ATOM 761 CB LYS A 47 11.919 -1.683 4.209 1.00 0.00 C ATOM 762 CG LYS A 47 10.835 -1.462 5.251 1.00 0.00 C ATOM 763 CD LYS A 47 10.431 -2.766 5.917 1.00 0.00 C ATOM 764 CE LYS A 47 9.051 -2.666 6.547 1.00 0.00 C ATOM 765 NZ LYS A 47 8.804 -3.760 7.526 1.00 0.00 N ATOM 0 H LYS A 47 10.527 -0.876 2.319 1.00 0.00 H new ATOM 0 HA LYS A 47 12.377 0.412 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.598 -2.468 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.821 -2.042 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.192 -0.762 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.963 -1.007 4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.438 -3.569 5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.163 -3.027 6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.950 -1.703 7.047 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.292 -2.701 5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.852 -3.654 7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.875 -4.679 7.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.512 -3.712 8.286 1.00 0.00 H new ATOM 779 N GLU A 48 13.475 -1.018 1.384 1.00 0.00 N ATOM 780 CA GLU A 48 14.660 -1.245 0.566 1.00 0.00 C ATOM 781 C GLU A 48 15.539 0.006 0.526 1.00 0.00 C ATOM 782 O GLU A 48 15.168 1.012 -0.078 1.00 0.00 O ATOM 783 CB GLU A 48 14.254 -1.645 -0.855 1.00 0.00 C ATOM 784 CG GLU A 48 14.332 -3.142 -1.109 1.00 0.00 C ATOM 785 CD GLU A 48 15.566 -3.535 -1.897 1.00 0.00 C ATOM 786 OE1 GLU A 48 15.511 -3.498 -3.145 1.00 0.00 O ATOM 787 OE2 GLU A 48 16.587 -3.880 -1.267 1.00 0.00 O ATOM 0 H GLU A 48 12.591 -1.179 0.902 1.00 0.00 H new ATOM 0 HA GLU A 48 15.233 -2.057 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.235 -1.305 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.898 -1.130 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.331 -3.669 -0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.442 -3.462 -1.651 1.00 0.00 H new ATOM 794 N PRO A 49 16.719 -0.034 1.175 1.00 0.00 N ATOM 795 CA PRO A 49 17.639 1.108 1.209 1.00 0.00 C ATOM 796 C PRO A 49 17.917 1.676 -0.180 1.00 0.00 C ATOM 797 O PRO A 49 18.026 2.889 -0.353 1.00 0.00 O ATOM 798 CB PRO A 49 18.915 0.519 1.811 1.00 0.00 C ATOM 799 CG PRO A 49 18.445 -0.627 2.640 1.00 0.00 C ATOM 800 CD PRO A 49 17.245 -1.189 1.929 1.00 0.00 C ATOM 0 HA PRO A 49 17.228 1.942 1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.605 0.190 1.034 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.444 1.255 2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.226 -1.380 2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.184 -0.299 3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.519 -2.010 1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.508 -1.579 2.631 1.00 0.00 H new ATOM 808 N LYS A 50 18.025 0.792 -1.166 1.00 0.00 N ATOM 809 CA LYS A 50 18.282 1.211 -2.539 1.00 0.00 C ATOM 810 C LYS A 50 16.982 1.580 -3.252 1.00 0.00 C ATOM 811 O LYS A 50 16.986 1.916 -4.436 1.00 0.00 O ATOM 812 CB LYS A 50 19.000 0.100 -3.307 1.00 0.00 C ATOM 813 CG LYS A 50 20.380 -0.225 -2.758 1.00 0.00 C ATOM 814 CD LYS A 50 20.340 -1.424 -1.825 1.00 0.00 C ATOM 815 CE LYS A 50 21.566 -2.306 -1.998 1.00 0.00 C ATOM 816 NZ LYS A 50 21.670 -3.330 -0.922 1.00 0.00 N ATOM 0 H LYS A 50 17.939 -0.217 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 50 18.920 2.094 -2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.387 -0.801 -3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.094 0.394 -4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 50 21.063 -0.427 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.773 0.640 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.280 -1.081 -0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.440 -2.008 -2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.523 -2.802 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.462 -1.686 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.519 -3.911 -1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.737 -2.857 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.827 -3.938 -0.939 1.00 0.00 H new ATOM 830 N MET A 51 15.870 1.510 -2.524 1.00 0.00 N ATOM 831 CA MET A 51 14.564 1.830 -3.085 1.00 0.00 C ATOM 832 C MET A 51 13.938 3.028 -2.374 1.00 0.00 C ATOM 833 O MET A 51 13.145 3.763 -2.962 1.00 0.00 O ATOM 834 CB MET A 51 13.640 0.618 -2.979 1.00 0.00 C ATOM 835 CG MET A 51 12.324 0.785 -3.719 1.00 0.00 C ATOM 836 SD MET A 51 12.551 1.216 -5.456 1.00 0.00 S ATOM 837 CE MET A 51 11.080 2.194 -5.755 1.00 0.00 C ATOM 0 H MET A 51 15.850 1.234 -1.542 1.00 0.00 H new ATOM 0 HA MET A 51 14.699 2.091 -4.135 1.00 0.00 H new ATOM 0 HB2 MET A 51 14.158 -0.258 -3.371 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.432 0.422 -1.927 1.00 0.00 H new ATOM 0 HG2 MET A 51 11.753 -0.141 -3.650 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.733 1.560 -3.231 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.571 1.823 -6.644 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.413 2.119 -4.897 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.361 3.236 -5.906 1.00 0.00 H new ATOM 847 N ALA A 52 14.300 3.223 -1.109 1.00 0.00 N ATOM 848 CA ALA A 52 13.770 4.334 -0.328 1.00 0.00 C ATOM 849 C ALA A 52 14.130 5.672 -0.965 1.00 0.00 C ATOM 850 O ALA A 52 13.263 6.514 -1.196 1.00 0.00 O ATOM 851 CB ALA A 52 14.289 4.271 1.101 1.00 0.00 C ATOM 0 H ALA A 52 14.957 2.627 -0.605 1.00 0.00 H new ATOM 0 HA ALA A 52 12.683 4.249 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.885 5.107 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.977 3.333 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.377 4.328 1.096 1.00 0.00 H new ATOM 857 N ALA A 53 15.414 5.858 -1.249 1.00 0.00 N ATOM 858 CA ALA A 53 15.888 7.093 -1.862 1.00 0.00 C ATOM 859 C ALA A 53 15.264 7.296 -3.238 1.00 0.00 C ATOM 860 O ALA A 53 15.069 8.427 -3.681 1.00 0.00 O ATOM 861 CB ALA A 53 17.406 7.081 -1.966 1.00 0.00 C ATOM 0 H ALA A 53 16.144 5.170 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 53 15.584 7.925 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.747 8.009 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 53 17.838 6.989 -0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.722 6.236 -2.578 1.00 0.00 H new ATOM 867 N SER A 54 14.953 6.192 -3.910 1.00 0.00 N ATOM 868 CA SER A 54 14.349 6.249 -5.236 1.00 0.00 C ATOM 869 C SER A 54 12.917 6.767 -5.161 1.00 0.00 C ATOM 870 O SER A 54 12.467 7.506 -6.037 1.00 0.00 O ATOM 871 CB SER A 54 14.369 4.864 -5.888 1.00 0.00 C ATOM 872 OG SER A 54 15.690 4.477 -6.223 1.00 0.00 O ATOM 0 H SER A 54 15.109 5.248 -3.558 1.00 0.00 H new ATOM 0 HA SER A 54 14.934 6.939 -5.844 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.934 4.132 -5.208 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.750 4.872 -6.785 1.00 0.00 H new ATOM 0 HG SER A 54 15.676 3.588 -6.636 1.00 0.00 H new ATOM 878 N LEU A 55 12.205 6.375 -4.110 1.00 0.00 N ATOM 879 CA LEU A 55 10.822 6.802 -3.920 1.00 0.00 C ATOM 880 C LEU A 55 10.760 8.234 -3.397 1.00 0.00 C ATOM 881 O LEU A 55 9.797 8.957 -3.654 1.00 0.00 O ATOM 882 CB LEU A 55 10.104 5.860 -2.951 1.00 0.00 C ATOM 883 CG LEU A 55 9.965 4.416 -3.435 1.00 0.00 C ATOM 884 CD1 LEU A 55 9.993 3.454 -2.257 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.683 4.244 -4.236 1.00 0.00 C ATOM 0 H LEU A 55 12.562 5.763 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 55 10.321 6.767 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.642 5.859 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.109 6.258 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 55 10.810 4.187 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.893 2.431 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.938 3.559 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.168 3.682 -1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.600 3.211 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.826 4.491 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.703 4.907 -5.101 1.00 0.00 H new ATOM 897 N LEU A 56 11.791 8.636 -2.662 1.00 0.00 N ATOM 898 CA LEU A 56 11.853 9.982 -2.102 1.00 0.00 C ATOM 899 C LEU A 56 12.615 10.933 -3.023 1.00 0.00 C ATOM 900 O LEU A 56 12.581 12.149 -2.836 1.00 0.00 O ATOM 901 CB LEU A 56 12.518 9.949 -0.724 1.00 0.00 C ATOM 902 CG LEU A 56 12.729 11.317 -0.072 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.643 11.205 1.442 1.00 0.00 C ATOM 904 CD2 LEU A 56 14.070 11.906 -0.490 1.00 0.00 C ATOM 0 H LEU A 56 12.595 8.049 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 56 10.832 10.350 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.909 9.337 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.485 9.455 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 56 11.939 11.986 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.796 12.187 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.660 10.827 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.412 10.520 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.203 12.879 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.873 11.238 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.094 12.023 -1.573 1.00 0.00 H new ATOM 916 N ASN A 57 13.306 10.376 -4.017 1.00 0.00 N ATOM 917 CA ASN A 57 14.076 11.183 -4.959 1.00 0.00 C ATOM 918 C ASN A 57 13.206 12.271 -5.591 1.00 0.00 C ATOM 919 O ASN A 57 12.055 12.023 -5.951 1.00 0.00 O ATOM 920 CB ASN A 57 14.672 10.292 -6.051 1.00 0.00 C ATOM 921 CG ASN A 57 16.106 9.897 -5.756 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.622 10.158 -4.670 1.00 0.00 O ATOM 923 ND2 ASN A 57 16.757 9.264 -6.724 1.00 0.00 N ATOM 0 H ASN A 57 13.348 9.372 -4.189 1.00 0.00 H new ATOM 0 HA ASN A 57 14.883 11.667 -4.409 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.064 9.393 -6.154 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.631 10.816 -7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.724 8.973 -6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.290 9.068 -7.609 1.00 0.00 H new ATOM 930 N PRO A 58 13.746 13.497 -5.738 1.00 0.00 N ATOM 931 CA PRO A 58 13.008 14.619 -6.332 1.00 0.00 C ATOM 932 C PRO A 58 12.609 14.357 -7.784 1.00 0.00 C ATOM 933 O PRO A 58 11.780 15.072 -8.347 1.00 0.00 O ATOM 934 CB PRO A 58 13.997 15.791 -6.261 1.00 0.00 C ATOM 935 CG PRO A 58 15.016 15.384 -5.253 1.00 0.00 C ATOM 936 CD PRO A 58 15.109 13.889 -5.339 1.00 0.00 C ATOM 0 HA PRO A 58 12.072 14.801 -5.804 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.456 15.978 -7.232 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.495 16.712 -5.964 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.980 15.848 -5.463 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.722 15.700 -4.252 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.851 13.572 -6.071 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.394 13.446 -4.384 1.00 0.00 H new ATOM 944 N TYR A 59 13.207 13.333 -8.385 1.00 0.00 N ATOM 945 CA TYR A 59 12.919 12.984 -9.771 1.00 0.00 C ATOM 946 C TYR A 59 11.669 12.116 -9.872 1.00 0.00 C ATOM 947 O TYR A 59 10.954 12.153 -10.874 1.00 0.00 O ATOM 948 CB TYR A 59 14.114 12.257 -10.390 1.00 0.00 C ATOM 949 CG TYR A 59 15.438 12.931 -10.109 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.098 12.736 -8.902 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.028 13.768 -11.049 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.304 13.354 -8.639 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.236 14.388 -10.795 1.00 0.00 C ATOM 954 CZ TYR A 59 17.869 14.178 -9.588 1.00 0.00 C ATOM 955 OH TYR A 59 19.072 14.795 -9.330 1.00 0.00 O ATOM 0 H TYR A 59 13.895 12.730 -7.933 1.00 0.00 H new ATOM 0 HA TYR A 59 12.736 13.907 -10.321 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.146 11.236 -10.009 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.970 12.190 -11.468 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.660 12.089 -8.156 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.533 13.936 -11.994 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.802 13.193 -7.694 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.682 15.033 -11.537 1.00 0.00 H new ATOM 0 HH TYR A 59 19.332 15.340 -10.102 1.00 0.00 H new ATOM 965 N VAL A 60 11.408 11.334 -8.829 1.00 0.00 N ATOM 966 CA VAL A 60 10.242 10.458 -8.806 1.00 0.00 C ATOM 967 C VAL A 60 9.007 11.203 -8.307 1.00 0.00 C ATOM 968 O VAL A 60 8.381 10.805 -7.325 1.00 0.00 O ATOM 969 CB VAL A 60 10.484 9.223 -7.916 1.00 0.00 C ATOM 970 CG1 VAL A 60 11.591 8.356 -8.495 1.00 0.00 C ATOM 971 CG2 VAL A 60 10.815 9.646 -6.493 1.00 0.00 C ATOM 0 H VAL A 60 11.987 11.289 -7.990 1.00 0.00 H new ATOM 0 HA VAL A 60 10.072 10.127 -9.830 1.00 0.00 H new ATOM 0 HB VAL A 60 9.569 8.632 -7.890 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.748 7.489 -7.853 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.307 8.022 -9.493 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.513 8.935 -8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.983 8.761 -5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.715 10.261 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.985 10.220 -6.082 1.00 0.00 H new ATOM 981 N LYS A 61 8.664 12.290 -8.992 1.00 0.00 N ATOM 982 CA LYS A 61 7.506 13.094 -8.622 1.00 0.00 C ATOM 983 C LYS A 61 6.233 12.254 -8.622 1.00 0.00 C ATOM 984 O LYS A 61 6.277 11.043 -8.839 1.00 0.00 O ATOM 985 CB LYS A 61 7.350 14.275 -9.582 1.00 0.00 C ATOM 986 CG LYS A 61 8.579 15.168 -9.653 1.00 0.00 C ATOM 987 CD LYS A 61 8.616 15.962 -10.949 1.00 0.00 C ATOM 988 CE LYS A 61 9.428 17.237 -10.796 1.00 0.00 C ATOM 989 NZ LYS A 61 10.823 17.071 -11.288 1.00 0.00 N ATOM 0 H LYS A 61 9.173 12.634 -9.807 1.00 0.00 H new ATOM 0 HA LYS A 61 7.669 13.472 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.129 13.895 -10.579 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.493 14.874 -9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.582 15.853 -8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.479 14.558 -9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.045 15.348 -11.741 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.600 16.211 -11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.943 18.044 -11.346 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.446 17.532 -9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.343 17.963 -11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.295 16.319 -10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.807 16.815 -12.296 1.00 0.00 H new ATOM 1003 N ARG A 62 5.100 12.904 -8.375 1.00 0.00 N ATOM 1004 CA ARG A 62 3.814 12.216 -8.345 1.00 0.00 C ATOM 1005 C ARG A 62 3.497 11.594 -9.701 1.00 0.00 C ATOM 1006 O ARG A 62 3.177 10.408 -9.791 1.00 0.00 O ATOM 1007 CB ARG A 62 2.702 13.189 -7.945 1.00 0.00 C ATOM 1008 CG ARG A 62 1.620 12.554 -7.088 1.00 0.00 C ATOM 1009 CD ARG A 62 0.487 12.003 -7.939 1.00 0.00 C ATOM 1010 NE ARG A 62 -0.100 13.028 -8.799 1.00 0.00 N ATOM 1011 CZ ARG A 62 -0.949 13.959 -8.370 1.00 0.00 C ATOM 1012 NH1 ARG A 62 -1.313 13.998 -7.094 1.00 0.00 N ATOM 1013 NH2 ARG A 62 -1.436 14.853 -9.218 1.00 0.00 N ATOM 0 H ARG A 62 5.046 13.906 -8.193 1.00 0.00 H new ATOM 0 HA ARG A 62 3.874 11.418 -7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.141 14.026 -7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.247 13.598 -8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.052 11.751 -6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.226 13.293 -6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.861 11.184 -8.554 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.285 11.588 -7.291 1.00 0.00 H new ATOM 0 HE ARG A 62 0.156 13.030 -9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.942 13.312 -6.437 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.964 14.714 -6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.160 14.828 -10.200 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.087 15.566 -8.889 1.00 0.00 H new ATOM 1027 N SER A 63 3.585 12.401 -10.754 1.00 0.00 N ATOM 1028 CA SER A 63 3.307 11.928 -12.106 1.00 0.00 C ATOM 1029 C SER A 63 4.218 10.762 -12.476 1.00 0.00 C ATOM 1030 O SER A 63 3.747 9.672 -12.800 1.00 0.00 O ATOM 1031 CB SER A 63 3.480 13.066 -13.113 1.00 0.00 C ATOM 1032 OG SER A 63 2.267 13.772 -13.300 1.00 0.00 O ATOM 0 H SER A 63 3.847 13.385 -10.697 1.00 0.00 H new ATOM 0 HA SER A 63 2.275 11.580 -12.135 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.252 13.751 -12.763 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.820 12.663 -14.067 1.00 0.00 H new ATOM 0 HG SER A 63 2.406 14.495 -13.947 1.00 0.00 H new ATOM 1038 N VAL A 64 5.525 10.997 -12.423 1.00 0.00 N ATOM 1039 CA VAL A 64 6.500 9.965 -12.753 1.00 0.00 C ATOM 1040 C VAL A 64 6.320 8.740 -11.863 1.00 0.00 C ATOM 1041 O VAL A 64 6.558 7.610 -12.290 1.00 0.00 O ATOM 1042 CB VAL A 64 7.942 10.485 -12.606 1.00 0.00 C ATOM 1043 CG1 VAL A 64 8.936 9.465 -13.140 1.00 0.00 C ATOM 1044 CG2 VAL A 64 8.104 11.820 -13.316 1.00 0.00 C ATOM 0 H VAL A 64 5.933 11.893 -12.155 1.00 0.00 H new ATOM 0 HA VAL A 64 6.328 9.687 -13.793 1.00 0.00 H new ATOM 0 HB VAL A 64 8.147 10.636 -11.546 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.949 9.851 -13.027 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.838 8.534 -12.581 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.734 9.278 -14.195 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.129 12.171 -13.201 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.879 11.698 -14.376 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.420 12.549 -12.881 1.00 0.00 H new ATOM 1054 N LYS A 65 5.894 8.972 -10.627 1.00 0.00 N ATOM 1055 CA LYS A 65 5.677 7.886 -9.679 1.00 0.00 C ATOM 1056 C LYS A 65 4.530 6.992 -10.139 1.00 0.00 C ATOM 1057 O LYS A 65 4.538 5.784 -9.904 1.00 0.00 O ATOM 1058 CB LYS A 65 5.376 8.446 -8.287 1.00 0.00 C ATOM 1059 CG LYS A 65 6.621 8.699 -7.452 1.00 0.00 C ATOM 1060 CD LYS A 65 6.879 7.562 -6.477 1.00 0.00 C ATOM 1061 CE LYS A 65 7.254 6.280 -7.202 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.638 6.335 -7.748 1.00 0.00 N ATOM 0 H LYS A 65 5.692 9.901 -10.258 1.00 0.00 H new ATOM 0 HA LYS A 65 6.587 7.289 -9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.823 9.379 -8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.728 7.749 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.483 8.819 -8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.507 9.633 -6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.681 7.842 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.989 7.392 -5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.167 5.437 -6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.550 6.104 -8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.979 5.369 -7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.639 6.872 -8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.264 6.802 -7.061 1.00 0.00 H new ATOM 1076 N VAL A 66 3.546 7.595 -10.798 1.00 0.00 N ATOM 1077 CA VAL A 66 2.392 6.854 -11.293 1.00 0.00 C ATOM 1078 C VAL A 66 2.814 5.808 -12.320 1.00 0.00 C ATOM 1079 O VAL A 66 2.382 4.657 -12.260 1.00 0.00 O ATOM 1080 CB VAL A 66 1.351 7.794 -11.929 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.085 7.029 -12.284 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.038 8.953 -10.995 1.00 0.00 C ATOM 0 H VAL A 66 3.525 8.594 -11.001 1.00 0.00 H new ATOM 0 HA VAL A 66 1.941 6.356 -10.434 1.00 0.00 H new ATOM 0 HB VAL A 66 1.771 8.201 -12.849 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.638 7.710 -12.732 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.325 6.237 -12.993 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.340 6.591 -11.381 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.301 9.607 -11.461 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.639 8.567 -10.057 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.949 9.517 -10.797 1.00 0.00 H new ATOM 1092 N LYS A 67 3.662 6.215 -13.260 1.00 0.00 N ATOM 1093 CA LYS A 67 4.142 5.307 -14.294 1.00 0.00 C ATOM 1094 C LYS A 67 5.029 4.225 -13.690 1.00 0.00 C ATOM 1095 O LYS A 67 4.911 3.049 -14.034 1.00 0.00 O ATOM 1096 CB LYS A 67 4.915 6.080 -15.365 1.00 0.00 C ATOM 1097 CG LYS A 67 4.023 6.719 -16.417 1.00 0.00 C ATOM 1098 CD LYS A 67 3.245 7.895 -15.849 1.00 0.00 C ATOM 1099 CE LYS A 67 1.826 7.497 -15.476 1.00 0.00 C ATOM 1100 NZ LYS A 67 0.992 7.224 -16.680 1.00 0.00 N ATOM 0 H LYS A 67 4.029 7.164 -13.326 1.00 0.00 H new ATOM 0 HA LYS A 67 3.278 4.830 -14.757 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.508 6.857 -14.883 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.614 5.403 -15.856 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.632 7.056 -17.256 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.328 5.975 -16.806 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.759 8.281 -14.969 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.217 8.702 -16.581 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.852 6.610 -14.843 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.368 8.293 -14.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.014 7.257 -16.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.186 7.942 -17.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.222 6.282 -17.055 1.00 0.00 H new ATOM 1114 N SER A 68 5.912 4.630 -12.785 1.00 0.00 N ATOM 1115 CA SER A 68 6.814 3.695 -12.126 1.00 0.00 C ATOM 1116 C SER A 68 6.042 2.768 -11.192 1.00 0.00 C ATOM 1117 O SER A 68 6.465 1.641 -10.930 1.00 0.00 O ATOM 1118 CB SER A 68 7.886 4.453 -11.342 1.00 0.00 C ATOM 1119 OG SER A 68 7.313 5.190 -10.276 1.00 0.00 O ATOM 0 H SER A 68 6.022 5.600 -12.491 1.00 0.00 H new ATOM 0 HA SER A 68 7.298 3.090 -12.893 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.619 3.749 -10.949 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.420 5.129 -12.010 1.00 0.00 H new ATOM 0 HG SER A 68 6.339 5.215 -10.382 1.00 0.00 H new ATOM 1125 N LEU A 69 4.906 3.249 -10.693 1.00 0.00 N ATOM 1126 CA LEU A 69 4.075 2.463 -9.789 1.00 0.00 C ATOM 1127 C LEU A 69 3.367 1.338 -10.539 1.00 0.00 C ATOM 1128 O LEU A 69 3.025 0.310 -9.954 1.00 0.00 O ATOM 1129 CB LEU A 69 3.047 3.360 -9.099 1.00 0.00 C ATOM 1130 CG LEU A 69 3.581 4.162 -7.911 1.00 0.00 C ATOM 1131 CD1 LEU A 69 2.769 5.433 -7.715 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.564 3.315 -6.647 1.00 0.00 C ATOM 0 H LEU A 69 4.541 4.179 -10.900 1.00 0.00 H new ATOM 0 HA LEU A 69 4.723 2.018 -9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.642 4.055 -9.835 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.218 2.740 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 69 4.612 4.445 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.164 5.990 -6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.833 6.048 -8.613 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.727 5.174 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.947 3.901 -5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.542 3.002 -6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.191 2.435 -6.790 1.00 0.00 H new ATOM 1144 N SER A 70 3.147 1.539 -11.834 1.00 0.00 N ATOM 1145 CA SER A 70 2.479 0.538 -12.658 1.00 0.00 C ATOM 1146 C SER A 70 3.456 -0.548 -13.096 1.00 0.00 C ATOM 1147 O SER A 70 3.061 -1.688 -13.339 1.00 0.00 O ATOM 1148 CB SER A 70 1.847 1.197 -13.885 1.00 0.00 C ATOM 1149 OG SER A 70 1.079 2.330 -13.517 1.00 0.00 O ATOM 0 H SER A 70 3.421 2.384 -12.335 1.00 0.00 H new ATOM 0 HA SER A 70 1.695 0.075 -12.058 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.628 1.495 -14.584 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.213 0.477 -14.403 1.00 0.00 H new ATOM 0 HG SER A 70 1.676 3.047 -13.218 1.00 0.00 H new ATOM 1155 N ASP A 71 4.732 -0.190 -13.195 1.00 0.00 N ATOM 1156 CA ASP A 71 5.761 -1.139 -13.606 1.00 0.00 C ATOM 1157 C ASP A 71 6.352 -1.876 -12.406 1.00 0.00 C ATOM 1158 O ASP A 71 7.131 -2.814 -12.569 1.00 0.00 O ATOM 1159 CB ASP A 71 6.870 -0.424 -14.379 1.00 0.00 C ATOM 1160 CG ASP A 71 7.545 -1.328 -15.391 1.00 0.00 C ATOM 1161 OD1 ASP A 71 7.455 -2.564 -15.237 1.00 0.00 O ATOM 1162 OD2 ASP A 71 8.164 -0.800 -16.339 1.00 0.00 O ATOM 0 H ASP A 71 5.078 0.749 -12.997 1.00 0.00 H new ATOM 0 HA ASP A 71 5.290 -1.875 -14.257 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.451 0.442 -14.892 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.615 -0.049 -13.677 1.00 0.00 H new ATOM 1167 N MET A 72 5.961 -1.466 -11.203 1.00 0.00 N ATOM 1168 CA MET A 72 6.441 -2.113 -9.990 1.00 0.00 C ATOM 1169 C MET A 72 5.365 -3.050 -9.465 1.00 0.00 C ATOM 1170 O MET A 72 5.654 -4.095 -8.884 1.00 0.00 O ATOM 1171 CB MET A 72 6.813 -1.074 -8.928 1.00 0.00 C ATOM 1172 CG MET A 72 5.616 -0.368 -8.312 1.00 0.00 C ATOM 1173 SD MET A 72 6.092 0.856 -7.077 1.00 0.00 S ATOM 1174 CE MET A 72 4.970 0.444 -5.742 1.00 0.00 C ATOM 0 H MET A 72 5.316 -0.692 -11.044 1.00 0.00 H new ATOM 0 HA MET A 72 7.339 -2.685 -10.223 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.380 -1.564 -8.137 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.470 -0.329 -9.377 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.042 0.120 -9.100 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.960 -1.107 -7.852 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.908 1.282 -5.047 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.980 0.237 -6.149 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.338 -0.437 -5.216 1.00 0.00 H new ATOM 1184 N THR A 73 4.116 -2.664 -9.701 1.00 0.00 N ATOM 1185 CA THR A 73 2.973 -3.455 -9.286 1.00 0.00 C ATOM 1186 C THR A 73 2.876 -4.715 -10.146 1.00 0.00 C ATOM 1187 O THR A 73 2.385 -5.750 -9.694 1.00 0.00 O ATOM 1188 CB THR A 73 1.697 -2.603 -9.394 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.474 -1.885 -8.196 1.00 0.00 O ATOM 1190 CG2 THR A 73 0.440 -3.385 -9.689 1.00 0.00 C ATOM 0 H THR A 73 3.873 -1.799 -10.183 1.00 0.00 H new ATOM 0 HA THR A 73 3.092 -3.766 -8.248 1.00 0.00 H new ATOM 0 HB THR A 73 1.885 -1.942 -10.240 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.515 -1.708 -8.094 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.408 -2.702 -9.747 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.551 -3.908 -10.639 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.268 -4.110 -8.894 1.00 0.00 H new ATOM 1198 N ALA A 74 3.355 -4.622 -11.385 1.00 0.00 N ATOM 1199 CA ALA A 74 3.325 -5.757 -12.298 1.00 0.00 C ATOM 1200 C ALA A 74 4.458 -6.741 -12.010 1.00 0.00 C ATOM 1201 O ALA A 74 4.520 -7.815 -12.609 1.00 0.00 O ATOM 1202 CB ALA A 74 3.397 -5.274 -13.738 1.00 0.00 C ATOM 0 H ALA A 74 3.767 -3.775 -11.776 1.00 0.00 H new ATOM 0 HA ALA A 74 2.383 -6.284 -12.145 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.374 -6.131 -14.411 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.546 -4.625 -13.947 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.323 -4.719 -13.890 1.00 0.00 H new ATOM 1208 N LYS A 75 5.355 -6.374 -11.096 1.00 0.00 N ATOM 1209 CA LYS A 75 6.480 -7.237 -10.748 1.00 0.00 C ATOM 1210 C LYS A 75 6.645 -7.355 -9.235 1.00 0.00 C ATOM 1211 O LYS A 75 7.736 -7.646 -8.743 1.00 0.00 O ATOM 1212 CB LYS A 75 7.770 -6.704 -11.372 1.00 0.00 C ATOM 1213 CG LYS A 75 8.880 -7.740 -11.453 1.00 0.00 C ATOM 1214 CD LYS A 75 10.244 -7.084 -11.589 1.00 0.00 C ATOM 1215 CE LYS A 75 10.428 -6.460 -12.963 1.00 0.00 C ATOM 1216 NZ LYS A 75 11.777 -5.851 -13.121 1.00 0.00 N ATOM 0 H LYS A 75 5.325 -5.491 -10.587 1.00 0.00 H new ATOM 0 HA LYS A 75 6.271 -8.230 -11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.554 -6.336 -12.375 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.121 -5.852 -10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.863 -8.364 -10.560 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.704 -8.397 -12.305 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.358 -6.318 -10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.024 -7.826 -11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.281 -7.221 -13.730 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.665 -5.698 -13.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.862 -5.437 -14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.908 -5.107 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.505 -6.583 -12.996 1.00 0.00 H new ATOM 1230 N GLU A 76 5.559 -7.134 -8.500 1.00 0.00 N ATOM 1231 CA GLU A 76 5.591 -7.223 -7.045 1.00 0.00 C ATOM 1232 C GLU A 76 4.479 -8.132 -6.539 1.00 0.00 C ATOM 1233 O GLU A 76 4.731 -9.122 -5.853 1.00 0.00 O ATOM 1234 CB GLU A 76 5.453 -5.830 -6.426 1.00 0.00 C ATOM 1235 CG GLU A 76 6.786 -5.155 -6.147 1.00 0.00 C ATOM 1236 CD GLU A 76 6.752 -3.663 -6.413 1.00 0.00 C ATOM 1237 OE1 GLU A 76 5.641 -3.100 -6.503 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.837 -3.056 -6.531 1.00 0.00 O ATOM 0 H GLU A 76 4.647 -6.892 -8.888 1.00 0.00 H new ATOM 0 HA GLU A 76 6.549 -7.649 -6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.869 -5.200 -7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.893 -5.909 -5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.066 -5.329 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.557 -5.613 -6.766 1.00 0.00 H new ATOM 1245 N LYS A 77 3.250 -7.780 -6.890 1.00 0.00 N ATOM 1246 CA LYS A 77 2.066 -8.537 -6.495 1.00 0.00 C ATOM 1247 C LYS A 77 0.824 -7.719 -6.813 1.00 0.00 C ATOM 1248 O LYS A 77 -0.185 -8.245 -7.284 1.00 0.00 O ATOM 1249 CB LYS A 77 2.102 -8.881 -5.000 1.00 0.00 C ATOM 1250 CG LYS A 77 1.926 -10.364 -4.713 1.00 0.00 C ATOM 1251 CD LYS A 77 3.046 -11.191 -5.326 1.00 0.00 C ATOM 1252 CE LYS A 77 2.638 -12.646 -5.491 1.00 0.00 C ATOM 1253 NZ LYS A 77 2.186 -12.943 -6.878 1.00 0.00 N ATOM 0 H LYS A 77 3.043 -6.959 -7.459 1.00 0.00 H new ATOM 0 HA LYS A 77 2.046 -9.474 -7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.052 -8.549 -4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.317 -8.325 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.902 -10.526 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.967 -10.700 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.317 -10.776 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.932 -11.130 -4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.480 -13.290 -5.238 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.836 -12.880 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.917 -13.945 -6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.366 -12.347 -7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.959 -12.745 -7.545 1.00 0.00 H new ATOM 1267 N PHE A 78 0.924 -6.417 -6.560 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.159 -5.480 -6.819 1.00 0.00 C ATOM 1269 C PHE A 78 -0.810 -5.738 -8.155 1.00 0.00 C ATOM 1270 O PHE A 78 -0.225 -6.384 -9.025 1.00 0.00 O ATOM 1271 CB PHE A 78 0.387 -4.065 -6.806 1.00 0.00 C ATOM 1272 CG PHE A 78 1.167 -3.758 -5.582 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.698 -4.141 -4.349 1.00 0.00 C ATOM 1274 CD2 PHE A 78 2.370 -3.092 -5.671 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.420 -3.873 -3.214 1.00 0.00 C ATOM 1276 CE2 PHE A 78 3.101 -2.815 -4.538 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.624 -3.210 -3.303 1.00 0.00 C ATOM 0 H PHE A 78 1.761 -5.984 -6.169 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.909 -5.612 -6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.020 -3.917 -7.681 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.441 -3.361 -6.889 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.247 -4.658 -4.273 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.742 -2.785 -6.637 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.044 -4.182 -2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.043 -2.292 -4.614 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.194 -3.000 -2.410 1.00 0.00 H new ATOM 1287 N SER A 79 -2.008 -5.195 -8.325 1.00 0.00 N ATOM 1288 CA SER A 79 -2.728 -5.332 -9.581 1.00 0.00 C ATOM 1289 C SER A 79 -4.230 -5.132 -9.421 1.00 0.00 C ATOM 1290 O SER A 79 -4.835 -4.367 -10.167 1.00 0.00 O ATOM 1291 CB SER A 79 -2.464 -6.692 -10.240 1.00 0.00 C ATOM 1292 OG SER A 79 -1.458 -6.590 -11.233 1.00 0.00 O ATOM 0 H SER A 79 -2.499 -4.658 -7.611 1.00 0.00 H new ATOM 0 HA SER A 79 -2.347 -4.541 -10.226 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.160 -7.414 -9.482 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.384 -7.068 -10.687 1.00 0.00 H new ATOM 0 HG SER A 79 -0.578 -6.549 -10.804 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.875 -5.859 -8.501 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.306 -5.776 -8.328 1.00 0.00 C ATOM 1300 C PRO A 80 -6.768 -4.899 -7.175 1.00 0.00 C ATOM 1301 O PRO A 80 -7.380 -3.855 -7.400 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.672 -7.237 -8.081 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.451 -7.849 -7.442 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.304 -6.870 -7.613 1.00 0.00 C ATOM 0 HA PRO A 80 -6.786 -5.306 -9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.541 -7.320 -7.429 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.924 -7.743 -9.013 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.631 -8.048 -6.385 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.212 -8.804 -7.910 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.991 -6.442 -6.660 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.427 -7.346 -8.052 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.494 -5.309 -5.942 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.918 -4.518 -4.802 1.00 0.00 C ATOM 1314 C LEU A 81 -5.780 -3.643 -4.330 1.00 0.00 C ATOM 1315 O LEU A 81 -5.861 -2.991 -3.290 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.424 -5.422 -3.684 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.896 -5.813 -3.817 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.199 -7.043 -2.986 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.793 -4.655 -3.409 1.00 0.00 C ATOM 0 H LEU A 81 -5.991 -6.166 -5.712 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.743 -3.872 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.819 -6.328 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.278 -4.918 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.096 -6.051 -4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.252 -7.305 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.581 -7.874 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.982 -6.836 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.837 -4.951 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.591 -4.386 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.595 -3.797 -4.052 1.00 0.00 H new ATOM 1331 N THR A 82 -4.719 -3.632 -5.120 1.00 0.00 N ATOM 1332 CA THR A 82 -3.553 -2.844 -4.816 1.00 0.00 C ATOM 1333 C THR A 82 -3.153 -1.973 -5.994 1.00 0.00 C ATOM 1334 O THR A 82 -2.217 -1.183 -5.891 1.00 0.00 O ATOM 1335 CB THR A 82 -2.405 -3.749 -4.415 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.845 -5.090 -4.282 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.789 -3.333 -3.096 1.00 0.00 C ATOM 0 H THR A 82 -4.649 -4.169 -5.984 1.00 0.00 H new ATOM 0 HA THR A 82 -3.796 -2.185 -3.982 1.00 0.00 H new ATOM 0 HB THR A 82 -1.659 -3.665 -5.205 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.137 -5.249 -3.360 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.971 -4.009 -2.847 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.407 -2.315 -3.178 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.545 -3.375 -2.312 1.00 0.00 H new ATOM 1345 N SER A 83 -3.866 -2.092 -7.113 1.00 0.00 N ATOM 1346 CA SER A 83 -3.547 -1.277 -8.272 1.00 0.00 C ATOM 1347 C SER A 83 -4.334 0.028 -8.240 1.00 0.00 C ATOM 1348 O SER A 83 -4.629 0.625 -9.276 1.00 0.00 O ATOM 1349 CB SER A 83 -3.826 -2.023 -9.572 1.00 0.00 C ATOM 1350 OG SER A 83 -3.521 -1.216 -10.697 1.00 0.00 O ATOM 0 H SER A 83 -4.651 -2.732 -7.236 1.00 0.00 H new ATOM 0 HA SER A 83 -2.481 -1.052 -8.233 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.234 -2.937 -9.605 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.874 -2.321 -9.607 1.00 0.00 H new ATOM 0 HG SER A 83 -3.938 -0.335 -10.591 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.646 0.462 -7.033 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.374 1.694 -6.795 1.00 0.00 C ATOM 1358 C ASN A 84 -4.811 2.306 -5.534 1.00 0.00 C ATOM 1359 O ASN A 84 -4.477 3.490 -5.487 1.00 0.00 O ATOM 1360 CB ASN A 84 -6.873 1.427 -6.645 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.631 1.636 -7.942 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.627 2.730 -8.507 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.286 0.585 -8.420 1.00 0.00 N ATOM 0 H ASN A 84 -4.398 -0.038 -6.179 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.258 2.373 -7.639 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.024 0.404 -6.300 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.282 2.086 -5.879 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.814 0.665 -9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.262 -0.303 -7.918 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.650 1.455 -4.529 1.00 0.00 N ATOM 1371 CA LEU A 85 -4.057 1.868 -3.280 1.00 0.00 C ATOM 1372 C LEU A 85 -2.587 2.184 -3.528 1.00 0.00 C ATOM 1373 O LEU A 85 -1.958 2.902 -2.750 1.00 0.00 O ATOM 1374 CB LEU A 85 -4.197 0.763 -2.224 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.312 0.926 -0.984 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.720 2.160 -0.192 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -3.382 -0.317 -0.108 1.00 0.00 C ATOM 0 H LEU A 85 -4.925 0.473 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.569 2.753 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.238 0.719 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.967 -0.194 -2.691 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.282 1.056 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.080 2.258 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.615 3.046 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.758 2.061 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.747 -0.181 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.411 -0.479 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.038 -1.182 -0.675 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.040 1.647 -4.630 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.651 1.893 -4.965 1.00 0.00 C ATOM 1391 C ILE A 86 -0.434 3.374 -5.260 1.00 0.00 C ATOM 1392 O ILE A 86 0.497 3.991 -4.743 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.184 1.027 -6.163 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.829 -0.014 -5.687 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.418 1.876 -7.277 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.244 -1.032 -4.737 1.00 0.00 C ATOM 0 H ILE A 86 -2.540 1.049 -5.288 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.048 1.609 -4.103 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.060 0.524 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.241 -0.532 -6.553 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.658 0.495 -5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.732 1.230 -8.097 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.328 2.584 -7.638 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.280 2.421 -6.893 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.018 -1.739 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.143 -0.525 -3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.566 -1.568 -5.231 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.310 3.939 -6.085 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.221 5.349 -6.436 1.00 0.00 C ATOM 1410 C ASN A 87 -1.539 6.209 -5.220 1.00 0.00 C ATOM 1411 O ASN A 87 -0.925 7.254 -5.007 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.184 5.677 -7.578 1.00 0.00 C ATOM 1413 CG ASN A 87 -1.624 5.296 -8.934 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -0.410 5.202 -9.113 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -2.510 5.074 -9.899 1.00 0.00 N ATOM 0 H ASN A 87 -2.087 3.442 -6.521 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.205 5.563 -6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.126 5.153 -7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.407 6.744 -7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.193 4.814 -10.833 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.508 5.163 -9.706 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.498 5.752 -4.421 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.901 6.467 -3.218 1.00 0.00 C ATOM 1424 C LEU A 88 -1.735 6.577 -2.242 1.00 0.00 C ATOM 1425 O LEU A 88 -1.593 7.579 -1.542 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.081 5.758 -2.549 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.258 6.665 -2.181 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.579 5.950 -2.416 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.146 7.120 -0.734 1.00 0.00 C ATOM 0 H LEU A 88 -3.011 4.886 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.209 7.472 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.440 4.975 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.724 5.266 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.228 7.546 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.403 6.611 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.661 5.674 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.621 5.051 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.991 7.764 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.151 6.250 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.217 7.673 -0.597 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.900 5.543 -2.204 1.00 0.00 N ATOM 1442 CA LEU A 89 0.254 5.537 -1.315 1.00 0.00 C ATOM 1443 C LEU A 89 1.356 6.447 -1.847 1.00 0.00 C ATOM 1444 O LEU A 89 2.205 6.918 -1.090 1.00 0.00 O ATOM 1445 CB LEU A 89 0.782 4.112 -1.138 1.00 0.00 C ATOM 1446 CG LEU A 89 -0.072 3.218 -0.236 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.606 1.875 -0.018 1.00 0.00 C ATOM 1448 CD2 LEU A 89 -0.339 3.908 1.093 1.00 0.00 C ATOM 0 H LEU A 89 -1.001 4.704 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.063 5.918 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.861 3.644 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.790 4.162 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.028 3.040 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.016 1.253 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.745 1.378 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.576 2.030 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.948 3.260 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.608 4.115 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.869 4.844 0.917 1.00 0.00 H new ATOM 1460 N ALA A 90 1.334 6.695 -3.153 1.00 0.00 N ATOM 1461 CA ALA A 90 2.327 7.554 -3.784 1.00 0.00 C ATOM 1462 C ALA A 90 1.671 8.783 -4.407 1.00 0.00 C ATOM 1463 O ALA A 90 2.226 9.400 -5.316 1.00 0.00 O ATOM 1464 CB ALA A 90 3.104 6.778 -4.836 1.00 0.00 C ATOM 0 H ALA A 90 0.639 6.313 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 90 3.020 7.894 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.842 7.432 -5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.610 5.935 -4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.417 6.410 -5.598 1.00 0.00 H new ATOM 1470 N GLU A 91 0.486 9.137 -3.912 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.238 10.295 -4.423 1.00 0.00 C ATOM 1472 C GLU A 91 0.071 11.535 -3.593 1.00 0.00 C ATOM 1473 O GLU A 91 0.512 12.555 -4.122 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.747 10.028 -4.418 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.579 11.211 -4.886 1.00 0.00 C ATOM 1476 CD GLU A 91 -4.059 11.025 -4.615 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.757 10.466 -5.487 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.520 11.439 -3.530 1.00 0.00 O ATOM 0 H GLU A 91 0.010 8.639 -3.160 1.00 0.00 H new ATOM 0 HA GLU A 91 0.088 10.471 -5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.957 9.171 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.055 9.755 -3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.232 12.115 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.425 11.359 -5.955 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.162 11.439 -2.289 1.00 0.00 N ATOM 1486 CA ASN A 92 0.094 12.552 -1.384 1.00 0.00 C ATOM 1487 C ASN A 92 1.528 12.517 -0.865 1.00 0.00 C ATOM 1488 O ASN A 92 2.096 13.550 -0.512 1.00 0.00 O ATOM 1489 CB ASN A 92 -0.886 12.518 -0.210 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.224 13.141 -0.555 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -2.294 14.298 -0.974 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.296 12.378 -0.380 1.00 0.00 N ATOM 0 H ASN A 92 -0.528 10.602 -1.835 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.048 13.478 -1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.039 11.485 0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.451 13.046 0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.223 12.744 -0.595 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.192 11.425 -0.031 1.00 0.00 H new ATOM 1499 N GLY A 93 2.109 11.321 -0.823 1.00 0.00 N ATOM 1500 CA GLY A 93 3.471 11.174 -0.345 1.00 0.00 C ATOM 1501 C GLY A 93 3.548 10.378 0.942 1.00 0.00 C ATOM 1502 O GLY A 93 4.260 10.756 1.872 1.00 0.00 O ATOM 0 H GLY A 93 1.660 10.452 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.071 10.681 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.906 12.161 -0.185 1.00 0.00 H new ATOM 1506 N ARG A 94 2.811 9.273 0.996 1.00 0.00 N ATOM 1507 CA ARG A 94 2.797 8.421 2.179 1.00 0.00 C ATOM 1508 C ARG A 94 3.759 7.248 2.022 1.00 0.00 C ATOM 1509 O ARG A 94 3.582 6.203 2.648 1.00 0.00 O ATOM 1510 CB ARG A 94 1.381 7.903 2.442 1.00 0.00 C ATOM 1511 CG ARG A 94 0.542 8.836 3.301 1.00 0.00 C ATOM 1512 CD ARG A 94 -0.385 8.061 4.223 1.00 0.00 C ATOM 1513 NE ARG A 94 -1.268 8.945 4.981 1.00 0.00 N ATOM 1514 CZ ARG A 94 -0.873 9.664 6.030 1.00 0.00 C ATOM 1515 NH1 ARG A 94 0.386 9.606 6.446 1.00 0.00 N ATOM 1516 NH2 ARG A 94 -1.739 10.443 6.663 1.00 0.00 N ATOM 0 H ARG A 94 2.216 8.947 0.234 1.00 0.00 H new ATOM 0 HA ARG A 94 3.123 9.020 3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.876 7.749 1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.444 6.931 2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.197 9.474 3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.046 9.492 2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.985 7.367 3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.208 7.462 4.914 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.243 9.015 4.690 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.056 9.009 5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.683 10.159 7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.707 10.491 6.347 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.437 10.994 7.467 1.00 0.00 H new ATOM 1530 N LEU A 95 4.780 7.426 1.189 1.00 0.00 N ATOM 1531 CA LEU A 95 5.768 6.378 0.961 1.00 0.00 C ATOM 1532 C LEU A 95 6.969 6.562 1.882 1.00 0.00 C ATOM 1533 O LEU A 95 8.118 6.533 1.443 1.00 0.00 O ATOM 1534 CB LEU A 95 6.215 6.372 -0.503 1.00 0.00 C ATOM 1535 CG LEU A 95 5.221 5.747 -1.483 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.812 5.695 -2.883 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.818 4.353 -1.022 1.00 0.00 C ATOM 0 H LEU A 95 4.944 8.284 0.662 1.00 0.00 H new ATOM 0 HA LEU A 95 5.305 5.417 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.408 7.399 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.160 5.834 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 95 4.328 6.371 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.090 5.247 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.048 6.706 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.722 5.095 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.111 3.925 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.703 3.719 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.352 4.416 -0.039 1.00 0.00 H new ATOM 1549 N THR A 96 6.684 6.743 3.165 1.00 0.00 N ATOM 1550 CA THR A 96 7.722 6.923 4.172 1.00 0.00 C ATOM 1551 C THR A 96 7.422 6.052 5.383 1.00 0.00 C ATOM 1552 O THR A 96 8.291 5.336 5.883 1.00 0.00 O ATOM 1553 CB THR A 96 7.813 8.392 4.590 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.586 8.833 5.143 1.00 0.00 O ATOM 1555 CG2 THR A 96 8.160 9.320 3.446 1.00 0.00 C ATOM 0 H THR A 96 5.734 6.769 3.535 1.00 0.00 H new ATOM 0 HA THR A 96 8.680 6.625 3.746 1.00 0.00 H new ATOM 0 HB THR A 96 8.616 8.433 5.326 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.665 9.774 5.406 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.208 10.346 3.811 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.126 9.037 3.029 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.395 9.246 2.673 1.00 0.00 H new ATOM 1563 N ASN A 97 6.173 6.103 5.833 1.00 0.00 N ATOM 1564 CA ASN A 97 5.730 5.307 6.967 1.00 0.00 C ATOM 1565 C ASN A 97 4.768 4.216 6.502 1.00 0.00 C ATOM 1566 O ASN A 97 4.061 3.610 7.307 1.00 0.00 O ATOM 1567 CB ASN A 97 5.048 6.197 8.009 1.00 0.00 C ATOM 1568 CG ASN A 97 6.034 7.085 8.743 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.574 6.706 9.782 1.00 0.00 O ATOM 1570 ND2 ASN A 97 6.272 8.276 8.206 1.00 0.00 N ATOM 0 H ASN A 97 5.447 6.692 5.425 1.00 0.00 H new ATOM 0 HA ASN A 97 6.602 4.838 7.423 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.299 6.818 7.518 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.521 5.571 8.729 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.925 8.917 8.657 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.802 8.549 7.343 1.00 0.00 H new ATOM 1577 N THR A 98 4.748 3.976 5.188 1.00 0.00 N ATOM 1578 CA THR A 98 3.879 2.965 4.596 1.00 0.00 C ATOM 1579 C THR A 98 3.891 1.660 5.393 1.00 0.00 C ATOM 1580 O THR A 98 2.835 1.143 5.752 1.00 0.00 O ATOM 1581 CB THR A 98 4.302 2.696 3.151 1.00 0.00 C ATOM 1582 OG1 THR A 98 5.068 3.774 2.644 1.00 0.00 O ATOM 1583 CG2 THR A 98 3.131 2.488 2.216 1.00 0.00 C ATOM 0 H THR A 98 5.329 4.474 4.513 1.00 0.00 H new ATOM 0 HA THR A 98 2.861 3.354 4.616 1.00 0.00 H new ATOM 0 HB THR A 98 4.888 1.777 3.187 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.586 4.615 2.789 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.499 2.302 1.207 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.545 1.633 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.504 3.379 2.214 1.00 0.00 H new ATOM 1591 N PRO A 99 5.083 1.099 5.684 1.00 0.00 N ATOM 1592 CA PRO A 99 5.206 -0.149 6.439 1.00 0.00 C ATOM 1593 C PRO A 99 4.242 -0.218 7.619 1.00 0.00 C ATOM 1594 O PRO A 99 3.816 -1.300 8.021 1.00 0.00 O ATOM 1595 CB PRO A 99 6.666 -0.146 6.927 1.00 0.00 C ATOM 1596 CG PRO A 99 7.272 1.132 6.431 1.00 0.00 C ATOM 1597 CD PRO A 99 6.401 1.617 5.307 1.00 0.00 C ATOM 0 HA PRO A 99 4.958 -1.014 5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.713 -0.202 8.015 1.00 0.00 H new ATOM 0 HB3 PRO A 99 7.207 -1.009 6.540 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.321 1.872 7.230 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.293 0.968 6.086 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.404 2.704 5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.729 1.229 4.343 1.00 0.00 H new ATOM 1605 N ALA A 100 3.895 0.942 8.167 1.00 0.00 N ATOM 1606 CA ALA A 100 2.973 1.004 9.294 1.00 0.00 C ATOM 1607 C ALA A 100 1.544 0.727 8.840 1.00 0.00 C ATOM 1608 O ALA A 100 0.800 0.011 9.508 1.00 0.00 O ATOM 1609 CB ALA A 100 3.063 2.358 9.979 1.00 0.00 C ATOM 0 H ALA A 100 4.237 1.849 7.850 1.00 0.00 H new ATOM 0 HA ALA A 100 3.257 0.234 10.011 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.368 2.388 10.818 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.078 2.515 10.343 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.807 3.143 9.268 1.00 0.00 H new ATOM 1615 N VAL A 101 1.168 1.293 7.696 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.170 1.093 7.158 1.00 0.00 C ATOM 1617 C VAL A 101 -0.369 -0.356 6.719 1.00 0.00 C ATOM 1618 O VAL A 101 -1.493 -0.857 6.686 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.460 2.040 5.971 1.00 0.00 C ATOM 1620 CG1 VAL A 101 0.378 1.678 4.750 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -1.942 2.027 5.632 1.00 0.00 C ATOM 0 H VAL A 101 1.769 1.890 7.128 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.872 1.325 7.959 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.181 3.050 6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.148 2.364 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.436 1.753 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.149 0.658 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.130 2.699 4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.244 1.016 5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.516 2.357 6.498 1.00 0.00 H new ATOM 1631 N ILE A 102 0.734 -1.027 6.391 1.00 0.00 N ATOM 1632 CA ILE A 102 0.681 -2.419 5.966 1.00 0.00 C ATOM 1633 C ILE A 102 0.349 -3.327 7.143 1.00 0.00 C ATOM 1634 O ILE A 102 -0.525 -4.191 7.047 1.00 0.00 O ATOM 1635 CB ILE A 102 2.018 -2.871 5.345 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.444 -1.908 4.237 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.904 -4.291 4.809 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.748 -2.291 3.570 1.00 0.00 C ATOM 0 H ILE A 102 1.672 -0.627 6.412 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.101 -2.495 5.211 1.00 0.00 H new ATOM 0 HB ILE A 102 2.782 -2.860 6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.658 -1.865 3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.540 -0.906 4.655 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.857 -4.593 4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.646 -4.968 5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.128 -4.330 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.988 -1.563 2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.546 -2.306 4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.651 -3.280 3.122 1.00 0.00 H new ATOM 1650 N SER A 103 1.046 -3.123 8.256 1.00 0.00 N ATOM 1651 CA SER A 103 0.819 -3.921 9.454 1.00 0.00 C ATOM 1652 C SER A 103 -0.541 -3.599 10.059 1.00 0.00 C ATOM 1653 O SER A 103 -1.172 -4.451 10.685 1.00 0.00 O ATOM 1654 CB SER A 103 1.925 -3.666 10.481 1.00 0.00 C ATOM 1655 OG SER A 103 1.906 -4.647 11.504 1.00 0.00 O ATOM 0 H SER A 103 1.772 -2.413 8.353 1.00 0.00 H new ATOM 0 HA SER A 103 0.836 -4.974 9.174 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.895 -3.672 9.985 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.798 -2.676 10.919 1.00 0.00 H new ATOM 0 HG SER A 103 2.623 -4.463 12.147 1.00 0.00 H new ATOM 1661 N ALA A 104 -0.989 -2.363 9.863 1.00 0.00 N ATOM 1662 CA ALA A 104 -2.276 -1.927 10.383 1.00 0.00 C ATOM 1663 C ALA A 104 -3.419 -2.641 9.671 1.00 0.00 C ATOM 1664 O ALA A 104 -4.455 -2.926 10.271 1.00 0.00 O ATOM 1665 CB ALA A 104 -2.420 -0.420 10.241 1.00 0.00 C ATOM 0 H ALA A 104 -0.478 -1.647 9.347 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.322 -2.184 11.441 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.388 -0.108 10.634 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.625 0.076 10.798 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.351 -0.145 9.188 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.222 -2.931 8.387 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.239 -3.616 7.599 1.00 0.00 C ATOM 1673 C PHE A 105 -4.545 -4.983 8.192 1.00 0.00 C ATOM 1674 O PHE A 105 -5.701 -5.404 8.248 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.781 -3.778 6.145 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.817 -4.406 5.250 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -6.166 -4.291 5.539 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.445 -5.109 4.114 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -7.113 -4.856 4.719 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.393 -5.677 3.291 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.727 -5.549 3.593 1.00 0.00 C ATOM 0 H PHE A 105 -2.371 -2.703 7.873 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.144 -3.008 7.619 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.514 -2.799 5.746 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.878 -4.388 6.124 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.478 -3.750 6.420 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.398 -5.213 3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.162 -4.756 4.958 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.088 -6.222 2.410 1.00 0.00 H new ATOM 0 HZ PHE A 105 -7.472 -5.991 2.948 1.00 0.00 H new ATOM 1691 N SER A 106 -3.500 -5.673 8.630 1.00 0.00 N ATOM 1692 CA SER A 106 -3.653 -6.996 9.218 1.00 0.00 C ATOM 1693 C SER A 106 -4.577 -6.955 10.432 1.00 0.00 C ATOM 1694 O SER A 106 -5.192 -7.960 10.788 1.00 0.00 O ATOM 1695 CB SER A 106 -2.288 -7.561 9.609 1.00 0.00 C ATOM 1696 OG SER A 106 -2.422 -8.792 10.297 1.00 0.00 O ATOM 0 H SER A 106 -2.537 -5.338 8.589 1.00 0.00 H new ATOM 0 HA SER A 106 -4.106 -7.648 8.472 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.681 -7.705 8.715 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.762 -6.844 10.239 1.00 0.00 H new ATOM 0 HG SER A 106 -1.534 -9.132 10.534 1.00 0.00 H new ATOM 1702 N THR A 107 -4.681 -5.787 11.057 1.00 0.00 N ATOM 1703 CA THR A 107 -5.544 -5.623 12.219 1.00 0.00 C ATOM 1704 C THR A 107 -6.961 -5.289 11.778 1.00 0.00 C ATOM 1705 O THR A 107 -7.934 -5.763 12.364 1.00 0.00 O ATOM 1706 CB THR A 107 -5.004 -4.525 13.137 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.675 -4.810 13.533 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.827 -4.336 14.393 1.00 0.00 C ATOM 0 H THR A 107 -4.180 -4.943 10.779 1.00 0.00 H new ATOM 0 HA THR A 107 -5.560 -6.561 12.774 1.00 0.00 H new ATOM 0 HB THR A 107 -5.052 -3.608 12.549 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.348 -4.095 14.118 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.389 -3.543 14.999 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.847 -4.064 14.122 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.838 -5.264 14.964 1.00 0.00 H new ATOM 1716 N MET A 108 -7.069 -4.484 10.727 1.00 0.00 N ATOM 1717 CA MET A 108 -8.364 -4.101 10.190 1.00 0.00 C ATOM 1718 C MET A 108 -8.978 -5.266 9.424 1.00 0.00 C ATOM 1719 O MET A 108 -10.199 -5.401 9.346 1.00 0.00 O ATOM 1720 CB MET A 108 -8.215 -2.889 9.270 1.00 0.00 C ATOM 1721 CG MET A 108 -8.160 -1.565 10.015 1.00 0.00 C ATOM 1722 SD MET A 108 -6.826 -1.505 11.227 1.00 0.00 S ATOM 1723 CE MET A 108 -7.648 -0.691 12.594 1.00 0.00 C ATOM 0 H MET A 108 -6.272 -4.085 10.231 1.00 0.00 H new ATOM 0 HA MET A 108 -9.023 -3.836 11.017 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.307 -3.002 8.678 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.051 -2.869 8.571 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.031 -0.754 9.298 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.112 -1.396 10.519 1.00 0.00 H new ATOM 0 HE1 MET A 108 -6.950 -0.581 13.424 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.994 0.293 12.277 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.501 -1.289 12.914 1.00 0.00 H new ATOM 1733 N MET A 109 -8.115 -6.109 8.862 1.00 0.00 N ATOM 1734 CA MET A 109 -8.561 -7.269 8.103 1.00 0.00 C ATOM 1735 C MET A 109 -8.966 -8.417 9.028 1.00 0.00 C ATOM 1736 O MET A 109 -9.519 -9.416 8.575 1.00 0.00 O ATOM 1737 CB MET A 109 -7.462 -7.731 7.139 1.00 0.00 C ATOM 1738 CG MET A 109 -6.306 -8.449 7.817 1.00 0.00 C ATOM 1739 SD MET A 109 -6.589 -10.223 7.982 1.00 0.00 S ATOM 1740 CE MET A 109 -5.094 -10.726 8.829 1.00 0.00 C ATOM 0 H MET A 109 -7.102 -6.008 8.920 1.00 0.00 H new ATOM 0 HA MET A 109 -9.438 -6.973 7.527 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.902 -8.395 6.394 1.00 0.00 H new ATOM 0 HB3 MET A 109 -7.074 -6.864 6.604 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.394 -8.283 7.244 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.145 -8.017 8.805 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.479 -11.324 8.157 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.537 -9.842 9.141 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.355 -11.318 9.706 1.00 0.00 H new ATOM 1750 N SER A 110 -8.687 -8.276 10.323 1.00 0.00 N ATOM 1751 CA SER A 110 -9.036 -9.311 11.291 1.00 0.00 C ATOM 1752 C SER A 110 -10.251 -8.895 12.106 1.00 0.00 C ATOM 1753 O SER A 110 -11.065 -9.732 12.497 1.00 0.00 O ATOM 1754 CB SER A 110 -7.853 -9.599 12.216 1.00 0.00 C ATOM 1755 OG SER A 110 -6.837 -10.318 11.538 1.00 0.00 O ATOM 0 H SER A 110 -8.223 -7.460 10.723 1.00 0.00 H new ATOM 0 HA SER A 110 -9.281 -10.221 10.744 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.447 -8.661 12.595 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.193 -10.171 13.079 1.00 0.00 H new ATOM 0 HG SER A 110 -6.165 -9.692 11.196 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.377 -7.596 12.346 1.00 0.00 N ATOM 1762 CA VAL A 111 -11.506 -7.072 13.100 1.00 0.00 C ATOM 1763 C VAL A 111 -12.800 -7.206 12.302 1.00 0.00 C ATOM 1764 O VAL A 111 -13.892 -7.028 12.841 1.00 0.00 O ATOM 1765 CB VAL A 111 -11.294 -5.592 13.476 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -12.434 -5.092 14.351 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -9.955 -5.403 14.175 1.00 0.00 C ATOM 0 H VAL A 111 -9.713 -6.889 12.030 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.581 -7.660 14.015 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.286 -5.003 12.559 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -12.265 -4.046 14.605 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -13.376 -5.187 13.811 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -12.478 -5.685 15.265 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -9.824 -4.352 14.432 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.931 -6.005 15.084 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.150 -5.717 13.510 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.673 -7.522 11.013 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.826 -7.679 10.149 1.00 0.00 C ATOM 1779 C HIS A 112 -14.531 -9.008 10.417 1.00 0.00 C ATOM 1780 O HIS A 112 -15.735 -9.138 10.201 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.384 -7.588 8.690 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.885 -8.875 8.113 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -12.023 -9.722 8.775 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -13.139 -9.458 6.923 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -11.771 -10.771 8.013 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -12.439 -10.636 6.885 1.00 0.00 N ATOM 0 H HIS A 112 -11.777 -7.673 10.550 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.537 -6.879 10.358 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -14.224 -7.237 8.090 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.597 -6.838 8.608 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -13.777 -9.068 6.143 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -11.127 -11.599 8.271 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -12.436 -11.300 6.110 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.768 -9.994 10.886 1.00 0.00 N ATOM 1796 CA ARG A 113 -14.322 -11.310 11.179 1.00 0.00 C ATOM 1797 C ARG A 113 -15.319 -11.237 12.330 1.00 0.00 C ATOM 1798 O ARG A 113 -16.335 -11.933 12.329 1.00 0.00 O ATOM 1799 CB ARG A 113 -13.201 -12.293 11.521 1.00 0.00 C ATOM 1800 CG ARG A 113 -13.456 -13.705 11.020 1.00 0.00 C ATOM 1801 CD ARG A 113 -12.767 -13.957 9.689 1.00 0.00 C ATOM 1802 NE ARG A 113 -12.240 -15.316 9.593 1.00 0.00 N ATOM 1803 CZ ARG A 113 -11.176 -15.748 10.268 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -10.524 -14.931 11.085 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -10.764 -17.000 10.124 1.00 0.00 N ATOM 0 H ARG A 113 -12.769 -9.905 11.070 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.846 -11.662 10.291 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -12.267 -11.928 11.094 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.069 -12.319 12.603 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.099 -14.424 11.757 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.529 -13.866 10.912 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.473 -13.784 8.877 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.953 -13.243 9.561 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.714 -15.972 8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.837 -13.967 11.199 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.710 -15.267 11.599 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.262 -17.632 9.497 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.949 -17.331 10.641 1.00 0.00 H new