USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 15 SER OG : rot 76:sc= 0.267 USER MOD Set 1.2: A 18 GLN : amide:sc= 0.884 K(o=1.2,f=-5.1!) USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 50 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.736 USER MOD Single : A 29 ASN : amide:sc= -0.695 X(o=-0.7,f=-0.24) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= -0.358 (180deg=-1.65!) USER MOD Single : A 41 SER OG : rot 62:sc= 1.25 USER MOD Single : A 44 THR OG1 : rot -56:sc= -0.99! USER MOD Single : A 45 SER OG : rot -49:sc= 0.432 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 97:sc= 0.818 USER MOD Single : A 56 GLN : amide:sc= -5.56! C(o=-5.6!,f=-11!) USER MOD Single : A 57 ASN : amide:sc= -0.0597 X(o=-0.06,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 177 N PRO A 13 -9.580 1.373 6.427 1.00 0.00 N ATOM 178 CA PRO A 13 -8.743 2.575 6.365 1.00 0.00 C ATOM 179 C PRO A 13 -8.066 2.741 5.009 1.00 0.00 C ATOM 180 O PRO A 13 -8.382 2.028 4.055 1.00 0.00 O ATOM 181 CB PRO A 13 -7.698 2.336 7.458 1.00 0.00 C ATOM 182 CG PRO A 13 -7.611 0.854 7.582 1.00 0.00 C ATOM 183 CD PRO A 13 -8.903 0.258 7.110 1.00 0.00 C ATOM 0 HA PRO A 13 -9.326 3.485 6.505 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.735 2.768 7.186 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.998 2.795 8.400 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.780 0.473 6.989 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.420 0.572 8.617 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.733 -0.580 6.434 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.496 -0.120 7.943 1.00 0.00 H new ATOM 191 N TYR A 14 -7.135 3.685 4.929 1.00 0.00 N ATOM 192 CA TYR A 14 -6.415 3.945 3.688 1.00 0.00 C ATOM 193 C TYR A 14 -7.361 4.459 2.607 1.00 0.00 C ATOM 194 O TYR A 14 -8.238 3.734 2.138 1.00 0.00 O ATOM 195 CB TYR A 14 -5.712 2.675 3.205 1.00 0.00 C ATOM 196 CG TYR A 14 -4.936 1.963 4.290 1.00 0.00 C ATOM 197 CD1 TYR A 14 -3.845 2.567 4.901 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.295 0.686 4.704 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.132 1.920 5.892 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.590 0.032 5.695 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.509 0.652 6.285 1.00 0.00 C ATOM 202 OH TYR A 14 -2.802 0.004 7.273 1.00 0.00 O ATOM 0 H TYR A 14 -6.861 4.283 5.709 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.667 4.713 3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.455 1.992 2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.032 2.933 2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.549 3.560 4.596 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.140 0.197 4.243 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.285 2.404 6.356 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.884 -0.960 6.006 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.197 -0.879 7.432 1.00 0.00 H new ATOM 212 N SER A 15 -7.175 5.716 2.216 1.00 0.00 N ATOM 213 CA SER A 15 -8.013 6.329 1.192 1.00 0.00 C ATOM 214 C SER A 15 -7.609 5.851 -0.199 1.00 0.00 C ATOM 215 O SER A 15 -6.666 5.074 -0.353 1.00 0.00 O ATOM 216 CB SER A 15 -7.913 7.854 1.268 1.00 0.00 C ATOM 217 OG SER A 15 -7.961 8.302 2.612 1.00 0.00 O ATOM 0 H SER A 15 -6.452 6.329 2.593 1.00 0.00 H new ATOM 0 HA SER A 15 -9.045 6.029 1.375 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.983 8.184 0.804 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.729 8.304 0.702 1.00 0.00 H new ATOM 0 HG SER A 15 -7.099 8.130 3.045 1.00 0.00 H new ATOM 223 N LYS A 16 -8.330 6.320 -1.212 1.00 0.00 N ATOM 224 CA LYS A 16 -8.048 5.944 -2.592 1.00 0.00 C ATOM 225 C LYS A 16 -6.621 6.318 -2.978 1.00 0.00 C ATOM 226 O LYS A 16 -5.900 5.522 -3.578 1.00 0.00 O ATOM 227 CB LYS A 16 -9.039 6.622 -3.540 1.00 0.00 C ATOM 228 CG LYS A 16 -9.029 6.045 -4.945 1.00 0.00 C ATOM 229 CD LYS A 16 -10.353 6.278 -5.653 1.00 0.00 C ATOM 230 CE LYS A 16 -10.485 7.716 -6.130 1.00 0.00 C ATOM 231 NZ LYS A 16 -11.560 7.866 -7.151 1.00 0.00 N ATOM 0 H LYS A 16 -9.115 6.962 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.156 4.863 -2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.044 6.532 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.809 7.686 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.223 6.500 -5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.823 4.976 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.435 5.602 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.175 6.041 -4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.700 8.363 -5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.536 8.048 -6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.618 8.860 -7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.343 7.269 -7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.470 7.574 -6.742 1.00 0.00 H new ATOM 245 N GLY A 17 -6.218 7.536 -2.628 1.00 0.00 N ATOM 246 CA GLY A 17 -4.878 7.994 -2.944 1.00 0.00 C ATOM 247 C GLY A 17 -3.807 7.192 -2.232 1.00 0.00 C ATOM 248 O GLY A 17 -2.729 6.960 -2.779 1.00 0.00 O ATOM 0 H GLY A 17 -6.796 8.214 -2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.720 7.930 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.783 9.045 -2.670 1.00 0.00 H new ATOM 252 N GLN A 18 -4.104 6.768 -1.007 1.00 0.00 N ATOM 253 CA GLN A 18 -3.157 5.989 -0.218 1.00 0.00 C ATOM 254 C GLN A 18 -3.031 4.571 -0.764 1.00 0.00 C ATOM 255 O GLN A 18 -1.927 4.089 -1.022 1.00 0.00 O ATOM 256 CB GLN A 18 -3.594 5.948 1.247 1.00 0.00 C ATOM 257 CG GLN A 18 -3.502 7.294 1.947 1.00 0.00 C ATOM 258 CD GLN A 18 -4.046 7.254 3.362 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.259 7.231 3.572 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.150 7.246 4.341 1.00 0.00 N ATOM 0 H GLN A 18 -4.992 6.951 -0.540 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.182 6.472 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.622 5.589 1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.976 5.227 1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.461 7.616 1.971 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.053 8.037 1.371 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.154 7.266 4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.457 7.220 5.313 1.00 0.00 H new ATOM 269 N LEU A 19 -4.168 3.906 -0.936 1.00 0.00 N ATOM 270 CA LEU A 19 -4.185 2.541 -1.451 1.00 0.00 C ATOM 271 C LEU A 19 -3.696 2.497 -2.895 1.00 0.00 C ATOM 272 O LEU A 19 -3.219 1.466 -3.369 1.00 0.00 O ATOM 273 CB LEU A 19 -5.597 1.959 -1.361 1.00 0.00 C ATOM 274 CG LEU A 19 -6.199 1.873 0.041 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.719 1.881 -0.029 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.703 0.627 0.760 1.00 0.00 C ATOM 0 H LEU A 19 -5.090 4.289 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.511 1.940 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.258 2.564 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.584 0.957 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.877 2.747 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.130 1.819 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.057 2.803 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.061 1.027 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.142 0.583 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.994 -0.259 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.617 0.663 0.844 1.00 0.00 H new ATOM 288 N ARG A 20 -3.816 3.624 -3.589 1.00 0.00 N ATOM 289 CA ARG A 20 -3.385 3.715 -4.979 1.00 0.00 C ATOM 290 C ARG A 20 -1.919 3.314 -5.121 1.00 0.00 C ATOM 291 O ARG A 20 -1.550 2.597 -6.050 1.00 0.00 O ATOM 292 CB ARG A 20 -3.589 5.136 -5.507 1.00 0.00 C ATOM 293 CG ARG A 20 -4.879 5.315 -6.291 1.00 0.00 C ATOM 294 CD ARG A 20 -4.710 4.900 -7.744 1.00 0.00 C ATOM 295 NE ARG A 20 -5.992 4.627 -8.388 1.00 0.00 N ATOM 296 CZ ARG A 20 -6.148 4.528 -9.703 1.00 0.00 C ATOM 297 NH1 ARG A 20 -5.107 4.678 -10.510 1.00 0.00 N ATOM 298 NH2 ARG A 20 -7.347 4.278 -10.214 1.00 0.00 N ATOM 0 H ARG A 20 -4.208 4.487 -3.212 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.991 3.026 -5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.585 5.831 -4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.746 5.402 -6.145 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.670 4.722 -5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.193 6.358 -6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.192 5.689 -8.288 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.081 4.011 -7.796 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.813 4.506 -7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.184 4.870 -10.121 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.229 4.601 -11.520 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.150 4.162 -9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.465 4.202 -11.224 1.00 0.00 H new ATOM 312 N GLU A 21 -1.090 3.783 -4.194 1.00 0.00 N ATOM 313 CA GLU A 21 0.335 3.475 -4.218 1.00 0.00 C ATOM 314 C GLU A 21 0.594 2.062 -3.701 1.00 0.00 C ATOM 315 O GLU A 21 1.427 1.334 -4.242 1.00 0.00 O ATOM 316 CB GLU A 21 1.113 4.488 -3.376 1.00 0.00 C ATOM 317 CG GLU A 21 0.910 5.928 -3.817 1.00 0.00 C ATOM 318 CD GLU A 21 0.956 6.090 -5.324 1.00 0.00 C ATOM 319 OE1 GLU A 21 1.979 5.707 -5.929 1.00 0.00 O ATOM 320 OE2 GLU A 21 -0.029 6.599 -5.897 1.00 0.00 O ATOM 0 H GLU A 21 -1.380 4.377 -3.418 1.00 0.00 H new ATOM 0 HA GLU A 21 0.676 3.534 -5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.811 4.390 -2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.175 4.248 -3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.051 6.285 -3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.679 6.554 -3.365 1.00 0.00 H new ATOM 327 N LEU A 22 -0.124 1.682 -2.650 1.00 0.00 N ATOM 328 CA LEU A 22 0.027 0.358 -2.058 1.00 0.00 C ATOM 329 C LEU A 22 -0.295 -0.733 -3.074 1.00 0.00 C ATOM 330 O LEU A 22 0.529 -1.605 -3.345 1.00 0.00 O ATOM 331 CB LEU A 22 -0.882 0.217 -0.836 1.00 0.00 C ATOM 332 CG LEU A 22 -0.514 1.073 0.376 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.630 1.042 1.410 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.795 0.598 0.988 1.00 0.00 C ATOM 0 H LEU A 22 -0.817 2.273 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 22 1.065 0.243 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.900 0.465 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.886 -0.829 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.383 2.102 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.350 1.657 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.547 1.431 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.793 0.016 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.041 1.219 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.693 -0.439 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.591 0.673 0.248 1.00 0.00 H new ATOM 346 N GLU A 23 -1.499 -0.675 -3.635 1.00 0.00 N ATOM 347 CA GLU A 23 -1.929 -1.657 -4.623 1.00 0.00 C ATOM 348 C GLU A 23 -0.930 -1.746 -5.773 1.00 0.00 C ATOM 349 O GLU A 23 -0.612 -2.835 -6.252 1.00 0.00 O ATOM 350 CB GLU A 23 -3.314 -1.298 -5.164 1.00 0.00 C ATOM 351 CG GLU A 23 -4.407 -1.335 -4.109 1.00 0.00 C ATOM 352 CD GLU A 23 -5.676 -0.636 -4.558 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.714 0.611 -4.511 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.630 -1.336 -4.957 1.00 0.00 O ATOM 0 H GLU A 23 -2.193 0.041 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.980 -2.629 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.277 -0.300 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.572 -1.989 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.635 -2.372 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.041 -0.865 -3.196 1.00 0.00 H new ATOM 361 N ARG A 24 -0.438 -0.592 -6.212 1.00 0.00 N ATOM 362 CA ARG A 24 0.523 -0.537 -7.307 1.00 0.00 C ATOM 363 C ARG A 24 1.811 -1.266 -6.936 1.00 0.00 C ATOM 364 O ARG A 24 2.238 -2.185 -7.634 1.00 0.00 O ATOM 365 CB ARG A 24 0.833 0.916 -7.670 1.00 0.00 C ATOM 366 CG ARG A 24 -0.106 1.497 -8.714 1.00 0.00 C ATOM 367 CD ARG A 24 0.596 2.527 -9.585 1.00 0.00 C ATOM 368 NE ARG A 24 1.321 1.906 -10.690 1.00 0.00 N ATOM 369 CZ ARG A 24 0.731 1.441 -11.786 1.00 0.00 C ATOM 370 NH1 ARG A 24 -0.585 1.527 -11.923 1.00 0.00 N ATOM 371 NH2 ARG A 24 1.459 0.889 -12.749 1.00 0.00 N ATOM 0 H ARG A 24 -0.689 0.318 -5.826 1.00 0.00 H new ATOM 0 HA ARG A 24 0.080 -1.033 -8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.782 1.526 -6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.857 0.979 -8.039 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.496 0.695 -9.340 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.960 1.959 -8.219 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.139 3.228 -9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.290 3.105 -8.975 1.00 0.00 H new ATOM 0 HE ARG A 24 2.335 1.825 -10.617 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.148 1.951 -11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.034 1.169 -12.766 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.472 0.822 -12.648 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.006 0.532 -13.590 1.00 0.00 H new ATOM 385 N GLU A 25 2.425 -0.849 -5.833 1.00 0.00 N ATOM 386 CA GLU A 25 3.665 -1.461 -5.371 1.00 0.00 C ATOM 387 C GLU A 25 3.479 -2.958 -5.139 1.00 0.00 C ATOM 388 O GLU A 25 4.275 -3.773 -5.606 1.00 0.00 O ATOM 389 CB GLU A 25 4.142 -0.790 -4.081 1.00 0.00 C ATOM 390 CG GLU A 25 5.036 0.415 -4.318 1.00 0.00 C ATOM 391 CD GLU A 25 4.541 1.297 -5.448 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.801 0.957 -6.621 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.896 2.326 -5.160 1.00 0.00 O ATOM 0 H GLU A 25 2.084 -0.090 -5.243 1.00 0.00 H new ATOM 0 HA GLU A 25 4.419 -1.321 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.274 -0.479 -3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.683 -1.521 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.096 1.004 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.046 0.074 -4.544 1.00 0.00 H new ATOM 400 N TYR A 26 2.422 -3.312 -4.416 1.00 0.00 N ATOM 401 CA TYR A 26 2.132 -4.709 -4.119 1.00 0.00 C ATOM 402 C TYR A 26 1.931 -5.509 -5.403 1.00 0.00 C ATOM 403 O TYR A 26 2.511 -6.580 -5.577 1.00 0.00 O ATOM 404 CB TYR A 26 0.887 -4.818 -3.237 1.00 0.00 C ATOM 405 CG TYR A 26 0.422 -6.239 -3.017 1.00 0.00 C ATOM 406 CD1 TYR A 26 1.293 -7.209 -2.535 1.00 0.00 C ATOM 407 CD2 TYR A 26 -0.887 -6.613 -3.292 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.873 -8.509 -2.333 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.317 -7.911 -3.092 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.433 -8.856 -2.613 1.00 0.00 C ATOM 411 OH TYR A 26 -0.856 -10.150 -2.412 1.00 0.00 O ATOM 0 H TYR A 26 1.752 -2.650 -4.025 1.00 0.00 H new ATOM 0 HA TYR A 26 2.986 -5.124 -3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.096 -4.359 -2.270 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.078 -4.247 -3.693 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.316 -6.941 -2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.581 -5.876 -3.669 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.563 -9.250 -1.958 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.339 -8.184 -3.309 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.802 -10.227 -2.657 1.00 0.00 H new ATOM 421 N ALA A 27 1.106 -4.978 -6.299 1.00 0.00 N ATOM 422 CA ALA A 27 0.829 -5.639 -7.568 1.00 0.00 C ATOM 423 C ALA A 27 2.109 -5.839 -8.373 1.00 0.00 C ATOM 424 O ALA A 27 2.199 -6.747 -9.199 1.00 0.00 O ATOM 425 CB ALA A 27 -0.182 -4.836 -8.372 1.00 0.00 C ATOM 0 H ALA A 27 0.618 -4.092 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 27 0.408 -6.621 -7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.379 -5.342 -9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.110 -4.749 -7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.218 -3.841 -8.569 1.00 0.00 H new ATOM 431 N ALA A 28 3.096 -4.983 -8.128 1.00 0.00 N ATOM 432 CA ALA A 28 4.371 -5.067 -8.830 1.00 0.00 C ATOM 433 C ALA A 28 5.323 -6.028 -8.126 1.00 0.00 C ATOM 434 O ALA A 28 6.092 -6.739 -8.772 1.00 0.00 O ATOM 435 CB ALA A 28 5.001 -3.687 -8.945 1.00 0.00 C ATOM 0 H ALA A 28 3.037 -4.224 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 28 4.182 -5.453 -9.832 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.952 -3.764 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.333 -3.027 -9.498 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.170 -3.280 -7.948 1.00 0.00 H new ATOM 441 N ASN A 29 5.266 -6.043 -6.799 1.00 0.00 N ATOM 442 CA ASN A 29 6.125 -6.917 -6.007 1.00 0.00 C ATOM 443 C ASN A 29 5.456 -7.286 -4.686 1.00 0.00 C ATOM 444 O ASN A 29 5.053 -6.413 -3.917 1.00 0.00 O ATOM 445 CB ASN A 29 7.470 -6.238 -5.739 1.00 0.00 C ATOM 446 CG ASN A 29 7.337 -4.736 -5.579 1.00 0.00 C ATOM 447 OD1 ASN A 29 7.776 -3.969 -6.436 1.00 0.00 O ATOM 448 ND2 ASN A 29 6.730 -4.310 -4.478 1.00 0.00 N ATOM 0 H ASN A 29 4.635 -5.461 -6.249 1.00 0.00 H new ATOM 0 HA ASN A 29 6.294 -7.831 -6.576 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.913 -6.659 -4.837 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.153 -6.454 -6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.612 -3.310 -4.315 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.382 -4.983 -3.795 1.00 0.00 H new ATOM 455 N LYS A 30 5.342 -8.584 -4.429 1.00 0.00 N ATOM 456 CA LYS A 30 4.725 -9.071 -3.201 1.00 0.00 C ATOM 457 C LYS A 30 5.425 -8.494 -1.975 1.00 0.00 C ATOM 458 O LYS A 30 4.775 -8.067 -1.020 1.00 0.00 O ATOM 459 CB LYS A 30 4.768 -10.600 -3.155 1.00 0.00 C ATOM 460 CG LYS A 30 4.280 -11.261 -4.432 1.00 0.00 C ATOM 461 CD LYS A 30 3.773 -12.670 -4.172 1.00 0.00 C ATOM 462 CE LYS A 30 4.914 -13.622 -3.847 1.00 0.00 C ATOM 463 NZ LYS A 30 4.488 -15.046 -3.928 1.00 0.00 N ATOM 0 H LYS A 30 5.669 -9.319 -5.056 1.00 0.00 H new ATOM 0 HA LYS A 30 3.685 -8.743 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.791 -10.921 -2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.159 -10.947 -2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.483 -10.662 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.092 -11.294 -5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.063 -12.656 -3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.234 -13.031 -5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.739 -13.450 -4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.289 -13.411 -2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.294 -15.663 -3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.718 -15.217 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.154 -15.254 -4.891 1.00 0.00 H new ATOM 477 N PHE A 31 6.753 -8.484 -2.008 1.00 0.00 N ATOM 478 CA PHE A 31 7.542 -7.959 -0.899 1.00 0.00 C ATOM 479 C PHE A 31 8.332 -6.726 -1.329 1.00 0.00 C ATOM 480 O PHE A 31 9.066 -6.760 -2.317 1.00 0.00 O ATOM 481 CB PHE A 31 8.496 -9.032 -0.371 1.00 0.00 C ATOM 482 CG PHE A 31 7.797 -10.171 0.314 1.00 0.00 C ATOM 483 CD1 PHE A 31 7.478 -10.096 1.660 1.00 0.00 C ATOM 484 CD2 PHE A 31 7.458 -11.316 -0.388 1.00 0.00 C ATOM 485 CE1 PHE A 31 6.836 -11.144 2.293 1.00 0.00 C ATOM 486 CE2 PHE A 31 6.815 -12.367 0.239 1.00 0.00 C ATOM 487 CZ PHE A 31 6.503 -12.280 1.582 1.00 0.00 C ATOM 0 H PHE A 31 7.306 -8.833 -2.791 1.00 0.00 H new ATOM 0 HA PHE A 31 6.856 -7.669 -0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.085 -9.424 -1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.196 -8.573 0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.734 -9.209 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.699 -11.389 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.595 -11.074 3.343 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.557 -13.254 -0.320 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.000 -13.099 2.075 1.00 0.00 H new ATOM 497 N ILE A 32 8.175 -5.639 -0.581 1.00 0.00 N ATOM 498 CA ILE A 32 8.873 -4.396 -0.884 1.00 0.00 C ATOM 499 C ILE A 32 10.202 -4.317 -0.139 1.00 0.00 C ATOM 500 O ILE A 32 10.621 -5.275 0.511 1.00 0.00 O ATOM 501 CB ILE A 32 8.019 -3.167 -0.520 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.836 -3.078 0.996 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.670 -3.235 -1.219 1.00 0.00 C ATOM 504 CD1 ILE A 32 7.007 -1.891 1.435 1.00 0.00 C ATOM 0 H ILE A 32 7.570 -5.594 0.239 1.00 0.00 H new ATOM 0 HA ILE A 32 9.060 -4.392 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 32 8.537 -2.269 -0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.362 -3.993 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.816 -3.022 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.077 -2.360 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.820 -3.256 -2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.144 -4.138 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.918 -1.891 2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.490 -0.970 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.014 -1.956 0.990 1.00 0.00 H new ATOM 516 N THR A 33 10.861 -3.166 -0.237 1.00 0.00 N ATOM 517 CA THR A 33 12.141 -2.960 0.428 1.00 0.00 C ATOM 518 C THR A 33 12.100 -1.734 1.333 1.00 0.00 C ATOM 519 O THR A 33 11.256 -0.854 1.166 1.00 0.00 O ATOM 520 CB THR A 33 13.283 -2.793 -0.592 1.00 0.00 C ATOM 521 OG1 THR A 33 14.475 -2.359 0.073 1.00 0.00 O ATOM 522 CG2 THR A 33 12.903 -1.789 -1.670 1.00 0.00 C ATOM 0 H THR A 33 10.529 -2.363 -0.771 1.00 0.00 H new ATOM 0 HA THR A 33 12.330 -3.848 1.032 1.00 0.00 H new ATOM 0 HB THR A 33 13.463 -3.759 -1.064 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.197 -2.257 -0.582 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.725 -1.688 -2.379 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.013 -2.137 -2.194 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.699 -0.822 -1.211 1.00 0.00 H new ATOM 530 N LYS A 34 13.018 -1.682 2.292 1.00 0.00 N ATOM 531 CA LYS A 34 13.089 -0.563 3.224 1.00 0.00 C ATOM 532 C LYS A 34 13.116 0.767 2.476 1.00 0.00 C ATOM 533 O LYS A 34 12.523 1.751 2.918 1.00 0.00 O ATOM 534 CB LYS A 34 14.330 -0.687 4.110 1.00 0.00 C ATOM 535 CG LYS A 34 14.064 -1.375 5.437 1.00 0.00 C ATOM 536 CD LYS A 34 15.229 -1.204 6.398 1.00 0.00 C ATOM 537 CE LYS A 34 14.983 -1.937 7.708 1.00 0.00 C ATOM 538 NZ LYS A 34 15.877 -1.447 8.794 1.00 0.00 N ATOM 0 H LYS A 34 13.724 -2.402 2.444 1.00 0.00 H new ATOM 0 HA LYS A 34 12.198 -0.589 3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.097 -1.242 3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.731 0.309 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.159 -0.965 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.884 -2.437 5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.142 -1.580 5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.385 -0.144 6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.943 -1.807 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.141 -3.005 7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.679 -1.971 9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.869 -1.594 8.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.708 -0.433 8.952 1.00 0.00 H new ATOM 552 N ASP A 35 13.807 0.788 1.342 1.00 0.00 N ATOM 553 CA ASP A 35 13.910 1.995 0.531 1.00 0.00 C ATOM 554 C ASP A 35 12.557 2.362 -0.071 1.00 0.00 C ATOM 555 O ASP A 35 12.236 3.539 -0.234 1.00 0.00 O ATOM 556 CB ASP A 35 14.942 1.803 -0.581 1.00 0.00 C ATOM 557 CG ASP A 35 16.364 1.992 -0.091 1.00 0.00 C ATOM 558 OD1 ASP A 35 16.729 1.364 0.925 1.00 0.00 O ATOM 559 OD2 ASP A 35 17.111 2.766 -0.723 1.00 0.00 O ATOM 0 H ASP A 35 14.305 -0.018 0.963 1.00 0.00 H new ATOM 0 HA ASP A 35 14.233 2.811 1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.836 0.803 -1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.741 2.511 -1.385 1.00 0.00 H new ATOM 564 N LYS A 36 11.767 1.346 -0.402 1.00 0.00 N ATOM 565 CA LYS A 36 10.449 1.560 -0.986 1.00 0.00 C ATOM 566 C LYS A 36 9.455 2.031 0.071 1.00 0.00 C ATOM 567 O LYS A 36 8.774 3.040 -0.110 1.00 0.00 O ATOM 568 CB LYS A 36 9.943 0.271 -1.639 1.00 0.00 C ATOM 569 CG LYS A 36 8.488 0.339 -2.071 1.00 0.00 C ATOM 570 CD LYS A 36 8.262 1.436 -3.098 1.00 0.00 C ATOM 571 CE LYS A 36 9.080 1.197 -4.358 1.00 0.00 C ATOM 572 NZ LYS A 36 8.611 2.039 -5.493 1.00 0.00 N ATOM 0 H LYS A 36 12.017 0.365 -0.275 1.00 0.00 H new ATOM 0 HA LYS A 36 10.538 2.336 -1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.561 0.047 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.067 -0.555 -0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.187 -0.621 -2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.857 0.519 -1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.204 1.484 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.530 2.401 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.129 1.412 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.018 0.145 -4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.194 1.846 -6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.617 1.816 -5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.694 3.044 -5.237 1.00 0.00 H new ATOM 586 N ARG A 37 9.378 1.294 1.174 1.00 0.00 N ATOM 587 CA ARG A 37 8.468 1.638 2.260 1.00 0.00 C ATOM 588 C ARG A 37 8.694 3.073 2.725 1.00 0.00 C ATOM 589 O ARG A 37 7.758 3.755 3.143 1.00 0.00 O ATOM 590 CB ARG A 37 8.654 0.675 3.434 1.00 0.00 C ATOM 591 CG ARG A 37 7.347 0.223 4.065 1.00 0.00 C ATOM 592 CD ARG A 37 7.568 -0.914 5.050 1.00 0.00 C ATOM 593 NE ARG A 37 8.352 -1.999 4.467 1.00 0.00 N ATOM 594 CZ ARG A 37 8.874 -2.993 5.178 1.00 0.00 C ATOM 595 NH1 ARG A 37 8.695 -3.038 6.491 1.00 0.00 N ATOM 596 NH2 ARG A 37 9.576 -3.944 4.575 1.00 0.00 N ATOM 0 H ARG A 37 9.934 0.455 1.339 1.00 0.00 H new ATOM 0 HA ARG A 37 7.448 1.552 1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.204 -0.201 3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.267 1.158 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.879 1.064 4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.657 -0.099 3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.078 -0.533 5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.604 -1.300 5.380 1.00 0.00 H new ATOM 0 HE ARG A 37 8.508 -1.994 3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.156 -2.309 6.957 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.097 -3.802 7.035 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.715 -3.912 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.976 -4.707 5.121 1.00 0.00 H new ATOM 610 N ARG A 38 9.942 3.525 2.650 1.00 0.00 N ATOM 611 CA ARG A 38 10.290 4.878 3.065 1.00 0.00 C ATOM 612 C ARG A 38 9.566 5.913 2.209 1.00 0.00 C ATOM 613 O ARG A 38 9.175 6.974 2.696 1.00 0.00 O ATOM 614 CB ARG A 38 11.803 5.090 2.970 1.00 0.00 C ATOM 615 CG ARG A 38 12.566 4.579 4.181 1.00 0.00 C ATOM 616 CD ARG A 38 14.070 4.685 3.977 1.00 0.00 C ATOM 617 NE ARG A 38 14.810 4.396 5.202 1.00 0.00 N ATOM 618 CZ ARG A 38 16.133 4.291 5.254 1.00 0.00 C ATOM 619 NH1 ARG A 38 16.857 4.451 4.155 1.00 0.00 N ATOM 620 NH2 ARG A 38 16.735 4.026 6.407 1.00 0.00 N ATOM 0 H ARG A 38 10.728 2.974 2.306 1.00 0.00 H new ATOM 0 HA ARG A 38 9.976 5.005 4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.176 4.588 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.005 6.154 2.846 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.276 5.150 5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.296 3.540 4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.379 3.992 3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.319 5.688 3.631 1.00 0.00 H new ATOM 0 HE ARG A 38 14.282 4.268 6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.398 4.655 3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.873 4.370 4.197 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.181 3.903 7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.751 3.946 6.445 1.00 0.00 H new ATOM 634 N LYS A 39 9.393 5.598 0.930 1.00 0.00 N ATOM 635 CA LYS A 39 8.716 6.499 0.005 1.00 0.00 C ATOM 636 C LYS A 39 7.201 6.367 0.128 1.00 0.00 C ATOM 637 O LYS A 39 6.486 7.367 0.200 1.00 0.00 O ATOM 638 CB LYS A 39 9.148 6.205 -1.434 1.00 0.00 C ATOM 639 CG LYS A 39 10.652 6.258 -1.639 1.00 0.00 C ATOM 640 CD LYS A 39 11.140 7.685 -1.823 1.00 0.00 C ATOM 641 CE LYS A 39 11.023 8.132 -3.272 1.00 0.00 C ATOM 642 NZ LYS A 39 9.685 8.716 -3.566 1.00 0.00 N ATOM 0 H LYS A 39 9.712 4.725 0.510 1.00 0.00 H new ATOM 0 HA LYS A 39 8.997 7.521 0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.785 5.217 -1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.673 6.924 -2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.153 5.809 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.922 5.665 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.560 8.354 -1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.179 7.760 -1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.796 8.869 -3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.200 7.281 -3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.787 9.490 -4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.065 7.981 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.267 9.086 -2.688 1.00 0.00 H new ATOM 656 N ILE A 40 6.719 5.130 0.153 1.00 0.00 N ATOM 657 CA ILE A 40 5.290 4.869 0.270 1.00 0.00 C ATOM 658 C ILE A 40 4.702 5.568 1.491 1.00 0.00 C ATOM 659 O ILE A 40 3.520 5.911 1.514 1.00 0.00 O ATOM 660 CB ILE A 40 4.999 3.360 0.366 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.543 2.633 -0.866 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.504 3.117 0.514 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.376 1.131 -0.804 1.00 0.00 C ATOM 0 H ILE A 40 7.297 4.292 0.094 1.00 0.00 H new ATOM 0 HA ILE A 40 4.822 5.264 -0.632 1.00 0.00 H new ATOM 0 HB ILE A 40 5.501 2.964 1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.036 3.010 -1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.601 2.868 -0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.314 2.046 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.144 3.606 1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.982 3.525 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.784 0.682 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.907 0.741 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.317 0.886 -0.722 1.00 0.00 H new ATOM 675 N SER A 41 5.536 5.776 2.505 1.00 0.00 N ATOM 676 CA SER A 41 5.099 6.433 3.732 1.00 0.00 C ATOM 677 C SER A 41 4.968 7.939 3.525 1.00 0.00 C ATOM 678 O SER A 41 4.115 8.588 4.129 1.00 0.00 O ATOM 679 CB SER A 41 6.082 6.146 4.867 1.00 0.00 C ATOM 680 OG SER A 41 6.170 7.246 5.756 1.00 0.00 O ATOM 0 H SER A 41 6.518 5.499 2.501 1.00 0.00 H new ATOM 0 HA SER A 41 4.120 6.034 4.000 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.763 5.258 5.413 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.067 5.929 4.453 1.00 0.00 H new ATOM 0 HG SER A 41 5.295 7.405 6.167 1.00 0.00 H new ATOM 686 N ALA A 42 5.821 8.488 2.666 1.00 0.00 N ATOM 687 CA ALA A 42 5.801 9.916 2.377 1.00 0.00 C ATOM 688 C ALA A 42 4.787 10.242 1.285 1.00 0.00 C ATOM 689 O ALA A 42 4.268 11.355 1.219 1.00 0.00 O ATOM 690 CB ALA A 42 7.188 10.392 1.971 1.00 0.00 C ATOM 0 H ALA A 42 6.534 7.965 2.158 1.00 0.00 H new ATOM 0 HA ALA A 42 5.500 10.440 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.158 11.461 1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.890 10.203 2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.511 9.853 1.080 1.00 0.00 H new ATOM 696 N ALA A 43 4.511 9.262 0.431 1.00 0.00 N ATOM 697 CA ALA A 43 3.558 9.444 -0.658 1.00 0.00 C ATOM 698 C ALA A 43 2.123 9.321 -0.157 1.00 0.00 C ATOM 699 O ALA A 43 1.263 10.134 -0.498 1.00 0.00 O ATOM 700 CB ALA A 43 3.822 8.434 -1.765 1.00 0.00 C ATOM 0 H ALA A 43 4.933 8.334 0.472 1.00 0.00 H new ATOM 0 HA ALA A 43 3.690 10.449 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.103 8.582 -2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.832 8.572 -2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.720 7.424 -1.368 1.00 0.00 H new ATOM 706 N THR A 44 1.870 8.298 0.653 1.00 0.00 N ATOM 707 CA THR A 44 0.538 8.067 1.198 1.00 0.00 C ATOM 708 C THR A 44 0.439 8.565 2.636 1.00 0.00 C ATOM 709 O THR A 44 -0.539 8.290 3.332 1.00 0.00 O ATOM 710 CB THR A 44 0.166 6.572 1.158 1.00 0.00 C ATOM 711 OG1 THR A 44 0.903 5.857 2.155 1.00 0.00 O ATOM 712 CG2 THR A 44 0.452 5.980 -0.214 1.00 0.00 C ATOM 0 H THR A 44 2.570 7.616 0.946 1.00 0.00 H new ATOM 0 HA THR A 44 -0.160 8.625 0.574 1.00 0.00 H new ATOM 0 HB THR A 44 -0.901 6.480 1.361 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.863 6.003 2.020 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.182 4.924 -0.218 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.133 6.508 -0.967 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.513 6.084 -0.441 1.00 0.00 H new ATOM 720 N SER A 45 1.456 9.299 3.074 1.00 0.00 N ATOM 721 CA SER A 45 1.484 9.834 4.431 1.00 0.00 C ATOM 722 C SER A 45 1.227 8.732 5.454 1.00 0.00 C ATOM 723 O SER A 45 0.669 8.979 6.524 1.00 0.00 O ATOM 724 CB SER A 45 0.443 10.943 4.586 1.00 0.00 C ATOM 725 OG SER A 45 0.628 11.650 5.801 1.00 0.00 O ATOM 0 H SER A 45 2.272 9.537 2.510 1.00 0.00 H new ATOM 0 HA SER A 45 2.475 10.249 4.612 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.514 11.633 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.558 10.513 4.561 1.00 0.00 H new ATOM 0 HG SER A 45 0.715 11.013 6.540 1.00 0.00 H new ATOM 731 N LEU A 46 1.638 7.514 5.118 1.00 0.00 N ATOM 732 CA LEU A 46 1.453 6.372 6.007 1.00 0.00 C ATOM 733 C LEU A 46 2.741 6.051 6.757 1.00 0.00 C ATOM 734 O LEU A 46 3.762 6.712 6.568 1.00 0.00 O ATOM 735 CB LEU A 46 0.996 5.149 5.209 1.00 0.00 C ATOM 736 CG LEU A 46 -0.454 5.167 4.725 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.704 4.031 3.745 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.412 5.078 5.904 1.00 0.00 C ATOM 0 H LEU A 46 2.101 7.292 4.237 1.00 0.00 H new ATOM 0 HA LEU A 46 0.685 6.631 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.646 5.043 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.141 4.262 5.826 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.632 6.110 4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.741 4.060 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.043 4.140 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.507 3.078 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.439 5.092 5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.233 4.151 6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.251 5.927 6.569 1.00 0.00 H new ATOM 750 N SER A 47 2.687 5.031 7.608 1.00 0.00 N ATOM 751 CA SER A 47 3.849 4.623 8.388 1.00 0.00 C ATOM 752 C SER A 47 4.448 3.333 7.837 1.00 0.00 C ATOM 753 O SER A 47 3.747 2.518 7.238 1.00 0.00 O ATOM 754 CB SER A 47 3.464 4.434 9.856 1.00 0.00 C ATOM 755 OG SER A 47 4.541 4.769 10.714 1.00 0.00 O ATOM 0 H SER A 47 1.850 4.472 7.775 1.00 0.00 H new ATOM 0 HA SER A 47 4.599 5.411 8.315 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.601 5.056 10.092 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.167 3.399 10.027 1.00 0.00 H new ATOM 0 HG SER A 47 4.268 4.641 11.647 1.00 0.00 H new ATOM 761 N GLU A 48 5.749 3.155 8.045 1.00 0.00 N ATOM 762 CA GLU A 48 6.442 1.964 7.568 1.00 0.00 C ATOM 763 C GLU A 48 5.725 0.697 8.025 1.00 0.00 C ATOM 764 O GLU A 48 5.655 -0.289 7.290 1.00 0.00 O ATOM 765 CB GLU A 48 7.888 1.953 8.070 1.00 0.00 C ATOM 766 CG GLU A 48 8.658 3.220 7.735 1.00 0.00 C ATOM 767 CD GLU A 48 10.105 3.159 8.183 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.372 3.450 9.368 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.971 2.819 7.349 1.00 0.00 O ATOM 0 H GLU A 48 6.344 3.820 8.540 1.00 0.00 H new ATOM 0 HA GLU A 48 6.443 1.988 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.887 1.813 9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.407 1.097 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.622 3.389 6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.171 4.073 8.208 1.00 0.00 H new ATOM 776 N ARG A 49 5.193 0.732 9.242 1.00 0.00 N ATOM 777 CA ARG A 49 4.482 -0.413 9.798 1.00 0.00 C ATOM 778 C ARG A 49 3.138 -0.609 9.102 1.00 0.00 C ATOM 779 O ARG A 49 2.813 -1.710 8.659 1.00 0.00 O ATOM 780 CB ARG A 49 4.267 -0.227 11.301 1.00 0.00 C ATOM 781 CG ARG A 49 3.544 -1.389 11.962 1.00 0.00 C ATOM 782 CD ARG A 49 4.310 -2.691 11.790 1.00 0.00 C ATOM 783 NE ARG A 49 3.901 -3.699 12.765 1.00 0.00 N ATOM 784 CZ ARG A 49 4.173 -4.993 12.642 1.00 0.00 C ATOM 785 NH1 ARG A 49 4.851 -5.435 11.591 1.00 0.00 N ATOM 786 NH2 ARG A 49 3.768 -5.849 13.571 1.00 0.00 N ATOM 0 H ARG A 49 5.241 1.541 9.862 1.00 0.00 H new ATOM 0 HA ARG A 49 5.091 -1.302 9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.235 -0.091 11.784 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.696 0.687 11.467 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.412 -1.181 13.024 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.548 -1.492 11.531 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.150 -3.075 10.783 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.378 -2.500 11.893 1.00 0.00 H new ATOM 0 HE ARG A 49 3.378 -3.392 13.585 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.165 -4.780 10.875 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.058 -6.429 11.499 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.247 -5.514 14.381 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.978 -6.843 13.475 1.00 0.00 H new ATOM 800 N GLN A 50 2.362 0.466 9.011 1.00 0.00 N ATOM 801 CA GLN A 50 1.054 0.412 8.370 1.00 0.00 C ATOM 802 C GLN A 50 1.156 -0.194 6.974 1.00 0.00 C ATOM 803 O GLN A 50 0.420 -1.120 6.633 1.00 0.00 O ATOM 804 CB GLN A 50 0.443 1.812 8.288 1.00 0.00 C ATOM 805 CG GLN A 50 -0.136 2.301 9.606 1.00 0.00 C ATOM 806 CD GLN A 50 -1.603 1.953 9.763 1.00 0.00 C ATOM 807 OE1 GLN A 50 -1.972 1.129 10.600 1.00 0.00 O ATOM 808 NE2 GLN A 50 -2.450 2.582 8.957 1.00 0.00 N ATOM 0 H GLN A 50 2.617 1.385 9.373 1.00 0.00 H new ATOM 0 HA GLN A 50 0.408 -0.223 8.976 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.207 2.514 7.954 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.343 1.813 7.533 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.427 1.864 10.430 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.014 3.382 9.674 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.101 3.258 8.277 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.450 2.389 9.017 1.00 0.00 H new ATOM 817 N ILE A 51 2.073 0.336 6.171 1.00 0.00 N ATOM 818 CA ILE A 51 2.271 -0.153 4.812 1.00 0.00 C ATOM 819 C ILE A 51 2.601 -1.642 4.806 1.00 0.00 C ATOM 820 O ILE A 51 2.307 -2.351 3.843 1.00 0.00 O ATOM 821 CB ILE A 51 3.399 0.614 4.097 1.00 0.00 C ATOM 822 CG1 ILE A 51 3.075 2.109 4.044 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.608 0.062 2.694 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.289 2.982 3.818 1.00 0.00 C ATOM 0 H ILE A 51 2.690 1.103 6.438 1.00 0.00 H new ATOM 0 HA ILE A 51 1.335 0.011 4.278 1.00 0.00 H new ATOM 0 HB ILE A 51 4.323 0.481 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.355 2.288 3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.595 2.402 4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.408 0.614 2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.878 -0.992 2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.687 0.168 2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.985 4.028 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.001 2.832 4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.757 2.716 2.870 1.00 0.00 H new ATOM 836 N THR A 52 3.213 -2.111 5.889 1.00 0.00 N ATOM 837 CA THR A 52 3.582 -3.516 6.009 1.00 0.00 C ATOM 838 C THR A 52 2.362 -4.383 6.297 1.00 0.00 C ATOM 839 O THR A 52 2.129 -5.386 5.622 1.00 0.00 O ATOM 840 CB THR A 52 4.623 -3.729 7.125 1.00 0.00 C ATOM 841 OG1 THR A 52 5.758 -2.885 6.903 1.00 0.00 O ATOM 842 CG2 THR A 52 5.068 -5.183 7.179 1.00 0.00 C ATOM 0 H THR A 52 3.463 -1.539 6.695 1.00 0.00 H new ATOM 0 HA THR A 52 4.017 -3.811 5.054 1.00 0.00 H new ATOM 0 HB THR A 52 4.160 -3.472 8.078 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.667 -2.068 7.436 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.803 -5.309 7.974 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.206 -5.820 7.377 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.514 -5.463 6.225 1.00 0.00 H new ATOM 850 N ILE A 53 1.585 -3.988 7.300 1.00 0.00 N ATOM 851 CA ILE A 53 0.386 -4.729 7.674 1.00 0.00 C ATOM 852 C ILE A 53 -0.508 -4.976 6.464 1.00 0.00 C ATOM 853 O ILE A 53 -0.964 -6.096 6.234 1.00 0.00 O ATOM 854 CB ILE A 53 -0.422 -3.985 8.753 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.438 -3.754 9.997 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.678 -4.767 9.108 1.00 0.00 C ATOM 857 CD1 ILE A 53 -0.108 -2.686 10.919 1.00 0.00 C ATOM 0 H ILE A 53 1.764 -3.160 7.868 1.00 0.00 H new ATOM 0 HA ILE A 53 0.719 -5.685 8.077 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.722 -3.015 8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.523 -4.690 10.549 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.445 -3.474 9.686 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.238 -4.228 9.872 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.297 -4.884 8.219 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.399 -5.750 9.488 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.552 -2.576 11.779 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.167 -1.739 10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.103 -2.973 11.259 1.00 0.00 H new ATOM 869 N TRP A 54 -0.754 -3.923 5.693 1.00 0.00 N ATOM 870 CA TRP A 54 -1.593 -4.025 4.504 1.00 0.00 C ATOM 871 C TRP A 54 -1.061 -5.091 3.553 1.00 0.00 C ATOM 872 O TRP A 54 -1.803 -5.970 3.114 1.00 0.00 O ATOM 873 CB TRP A 54 -1.665 -2.675 3.788 1.00 0.00 C ATOM 874 CG TRP A 54 -2.701 -2.631 2.706 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.023 -2.320 2.850 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.501 -2.910 1.316 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.657 -2.389 1.632 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.745 -2.747 0.676 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.392 -3.279 0.550 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -3.908 -2.943 -0.693 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.555 -3.473 -0.808 1.00 0.00 C ATOM 882 CH2 TRP A 54 -2.805 -3.304 -1.419 1.00 0.00 C ATOM 0 H TRP A 54 -0.385 -2.989 5.870 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.595 -4.314 4.820 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.880 -1.895 4.519 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.690 -2.448 3.357 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.500 -2.058 3.783 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.646 -2.204 1.467 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.424 -3.410 1.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.871 -2.815 -1.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.705 -3.760 -1.409 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.900 -3.462 -2.483 1.00 0.00 H new ATOM 893 N PHE A 55 0.227 -5.009 3.239 1.00 0.00 N ATOM 894 CA PHE A 55 0.858 -5.967 2.338 1.00 0.00 C ATOM 895 C PHE A 55 0.693 -7.392 2.859 1.00 0.00 C ATOM 896 O PHE A 55 0.670 -8.347 2.084 1.00 0.00 O ATOM 897 CB PHE A 55 2.343 -5.641 2.171 1.00 0.00 C ATOM 898 CG PHE A 55 2.635 -4.760 0.990 1.00 0.00 C ATOM 899 CD1 PHE A 55 2.171 -3.455 0.952 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.372 -5.237 -0.081 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.438 -2.643 -0.134 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.642 -4.429 -1.170 1.00 0.00 C ATOM 903 CZ PHE A 55 3.175 -3.130 -1.196 1.00 0.00 C ATOM 0 H PHE A 55 0.855 -4.289 3.595 1.00 0.00 H new ATOM 0 HA PHE A 55 0.367 -5.894 1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.703 -5.152 3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.901 -6.571 2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.595 -3.068 1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.740 -6.252 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.070 -1.628 -0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.217 -4.813 -1.999 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.385 -2.496 -2.045 1.00 0.00 H new ATOM 913 N GLN A 56 0.581 -7.525 4.177 1.00 0.00 N ATOM 914 CA GLN A 56 0.420 -8.832 4.801 1.00 0.00 C ATOM 915 C GLN A 56 -1.019 -9.322 4.677 1.00 0.00 C ATOM 916 O GLN A 56 -1.271 -10.420 4.183 1.00 0.00 O ATOM 917 CB GLN A 56 0.824 -8.770 6.275 1.00 0.00 C ATOM 918 CG GLN A 56 2.317 -8.579 6.489 1.00 0.00 C ATOM 919 CD GLN A 56 2.639 -7.949 7.830 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.739 -6.728 7.947 1.00 0.00 O ATOM 921 NE2 GLN A 56 2.803 -8.782 8.851 1.00 0.00 N ATOM 0 H GLN A 56 0.599 -6.744 4.832 1.00 0.00 H new ATOM 0 HA GLN A 56 1.070 -9.536 4.282 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.289 -7.951 6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.509 -9.690 6.768 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.817 -9.545 6.416 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.717 -7.952 5.692 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.711 -9.788 8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.021 -8.416 9.778 1.00 0.00 H new ATOM 930 N ASN A 57 -1.960 -8.499 5.129 1.00 0.00 N ATOM 931 CA ASN A 57 -3.375 -8.849 5.069 1.00 0.00 C ATOM 932 C ASN A 57 -3.818 -9.079 3.627 1.00 0.00 C ATOM 933 O ASN A 57 -4.826 -9.738 3.374 1.00 0.00 O ATOM 934 CB ASN A 57 -4.222 -7.745 5.705 1.00 0.00 C ATOM 935 CG ASN A 57 -4.461 -7.979 7.184 1.00 0.00 C ATOM 936 OD1 ASN A 57 -4.776 -9.092 7.604 1.00 0.00 O ATOM 937 ND2 ASN A 57 -4.313 -6.927 7.981 1.00 0.00 N ATOM 0 H ASN A 57 -1.768 -7.586 5.541 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.519 -9.775 5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.725 -6.785 5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.181 -7.684 5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.462 -7.023 8.986 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.051 -6.023 7.589 1.00 0.00 H new ATOM 944 N ARG A 58 -3.056 -8.532 2.685 1.00 0.00 N ATOM 945 CA ARG A 58 -3.370 -8.676 1.269 1.00 0.00 C ATOM 946 C ARG A 58 -2.940 -10.047 0.754 1.00 0.00 C ATOM 947 O ARG A 58 -3.646 -10.672 -0.037 1.00 0.00 O ATOM 948 CB ARG A 58 -2.682 -7.577 0.458 1.00 0.00 C ATOM 949 CG ARG A 58 -3.646 -6.561 -0.132 1.00 0.00 C ATOM 950 CD ARG A 58 -4.300 -7.086 -1.402 1.00 0.00 C ATOM 951 NE ARG A 58 -5.492 -6.322 -1.759 1.00 0.00 N ATOM 952 CZ ARG A 58 -6.625 -6.362 -1.068 1.00 0.00 C ATOM 953 NH1 ARG A 58 -6.720 -7.125 0.013 1.00 0.00 N ATOM 954 NH2 ARG A 58 -7.667 -5.639 -1.456 1.00 0.00 N ATOM 0 H ARG A 58 -2.217 -7.985 2.877 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.450 -8.584 1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.968 -7.059 1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.112 -8.036 -0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.415 -6.319 0.601 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.112 -5.636 -0.352 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.584 -7.045 -2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.568 -8.134 -1.265 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.452 -5.725 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.921 -7.683 0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.592 -7.154 0.542 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.599 -5.051 -2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.537 -5.671 -0.924 1.00 0.00 H new ATOM 968 N ARG A 59 -1.780 -10.507 1.209 1.00 0.00 N ATOM 969 CA ARG A 59 -1.256 -11.803 0.793 1.00 0.00 C ATOM 970 C ARG A 59 -1.899 -12.932 1.594 1.00 0.00 C ATOM 971 O ARG A 59 -2.360 -13.923 1.029 1.00 0.00 O ATOM 972 CB ARG A 59 0.264 -11.842 0.966 1.00 0.00 C ATOM 973 CG ARG A 59 1.030 -11.536 -0.310 1.00 0.00 C ATOM 974 CD ARG A 59 2.518 -11.371 -0.041 1.00 0.00 C ATOM 975 NE ARG A 59 3.281 -12.548 -0.446 1.00 0.00 N ATOM 976 CZ ARG A 59 3.461 -13.610 0.331 1.00 0.00 C ATOM 977 NH1 ARG A 59 2.935 -13.643 1.547 1.00 0.00 N ATOM 978 NH2 ARG A 59 4.169 -14.643 -0.109 1.00 0.00 N ATOM 0 H ARG A 59 -1.185 -10.002 1.866 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.499 -11.944 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.552 -11.124 1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.555 -12.829 1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.876 -12.340 -1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.638 -10.625 -0.762 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.888 -10.497 -0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.676 -11.185 1.021 1.00 0.00 H new ATOM 0 HE ARG A 59 3.699 -12.555 -1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.390 -12.851 1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.075 -14.460 2.141 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.575 -14.621 -1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.307 -15.458 0.488 1.00 0.00 H new ATOM 992 N VAL A 60 -1.926 -12.773 2.914 1.00 0.00 N ATOM 993 CA VAL A 60 -2.512 -13.778 3.792 1.00 0.00 C ATOM 994 C VAL A 60 -3.945 -14.098 3.382 1.00 0.00 C ATOM 995 O VAL A 60 -4.444 -15.196 3.632 1.00 0.00 O ATOM 996 CB VAL A 60 -2.502 -13.314 5.261 1.00 0.00 C ATOM 997 CG1 VAL A 60 -3.031 -14.412 6.171 1.00 0.00 C ATOM 998 CG2 VAL A 60 -1.100 -12.895 5.677 1.00 0.00 C ATOM 0 H VAL A 60 -1.549 -11.958 3.398 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.901 -14.676 3.698 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.158 -12.449 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.017 -14.066 7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.053 -14.660 5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.403 -15.298 6.076 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.111 -12.570 6.717 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.420 -13.740 5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.763 -12.074 5.044 1.00 0.00 H new