USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 590 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 93 SER OG : rot 180:sc= 0.402 USER MOD Set 1.2: A 98 SER OG : rot -98:sc= 0.406 USER MOD Set 2.1: A 94 SER OG : rot 123:sc= 0.803 USER MOD Set 2.2: A 96 SER OG : rot 180:sc= 0.26 USER MOD Set 3.1: A 31 SER OG : rot -37:sc= 1.17 USER MOD Set 3.2: A 104 SER OG : rot -112:sc= 1.05 USER MOD Single : A 35 HIS : no HE2:sc= -2.11! C(o=-2.1!,f=-5.9!) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.49! C(o=-6.9!,f=-3.5!) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.159 F(o=-2.9!,f=-0.16) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -2.07! C(o=-2.7!,f=-2.1!) USER MOD Single : A 61 GLN :FLIP amide:sc= -2.53! C(o=-5.3!,f=-2.5!) USER MOD Single : A 68 THR OG1 : rot 47:sc= 0.722 USER MOD Single : A 71 THR OG1 : rot 180:sc= 1 USER MOD Single : A 80 SER OG : rot -90:sc= -0.922 USER MOD Single : A 85 SER OG : rot 68:sc= 1.12 USER MOD Single : A 88 TYR OH : rot 168:sc= 1.03 USER MOD Single : A 92 THR OG1 : rot 7:sc= 0.424! USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0627 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0983 X(o=-0.098,f=-0.038) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -12.933 2.350 4.218 1.00 0.00 N ATOM 213 CA GLU A 28 -11.480 2.146 4.019 1.00 0.00 C ATOM 214 C GLU A 28 -11.143 2.797 2.682 1.00 0.00 C ATOM 215 O GLU A 28 -10.991 3.997 2.580 1.00 0.00 O ATOM 216 CB GLU A 28 -11.239 0.626 3.990 1.00 0.00 C ATOM 217 CG GLU A 28 -11.456 0.077 5.410 1.00 0.00 C ATOM 218 CD GLU A 28 -11.463 -1.454 5.389 1.00 0.00 C ATOM 219 OE1 GLU A 28 -10.989 -1.998 4.405 1.00 0.00 O ATOM 220 OE2 GLU A 28 -11.936 -1.996 6.373 1.00 0.00 O ATOM 0 HA GLU A 28 -10.859 2.581 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.922 0.146 3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.227 0.408 3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.667 0.435 6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.400 0.447 5.811 1.00 0.00 H new ATOM 227 N VAL A 29 -10.947 1.948 1.717 1.00 0.00 N ATOM 228 CA VAL A 29 -10.676 2.409 0.323 1.00 0.00 C ATOM 229 C VAL A 29 -10.906 1.280 -0.665 1.00 0.00 C ATOM 230 O VAL A 29 -11.872 1.250 -1.400 1.00 0.00 O ATOM 231 CB VAL A 29 -9.259 2.942 0.108 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.945 2.867 -1.389 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.236 4.428 0.458 1.00 0.00 C ATOM 0 H VAL A 29 -10.963 0.935 1.834 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.370 3.233 0.157 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.556 2.369 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.938 3.242 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.011 1.832 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.662 3.474 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.230 4.821 0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.934 4.964 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.527 4.561 1.500 1.00 0.00 H new ATOM 243 N GLU A 30 -9.968 0.372 -0.634 1.00 0.00 N ATOM 244 CA GLU A 30 -10.040 -0.777 -1.575 1.00 0.00 C ATOM 245 C GLU A 30 -9.687 -2.101 -0.905 1.00 0.00 C ATOM 246 O GLU A 30 -8.583 -2.311 -0.444 1.00 0.00 O ATOM 247 CB GLU A 30 -9.060 -0.525 -2.722 1.00 0.00 C ATOM 248 CG GLU A 30 -9.175 -1.667 -3.737 1.00 0.00 C ATOM 249 CD GLU A 30 -8.125 -1.465 -4.833 1.00 0.00 C ATOM 250 OE1 GLU A 30 -6.958 -1.535 -4.484 1.00 0.00 O ATOM 251 OE2 GLU A 30 -8.551 -1.252 -5.957 1.00 0.00 O ATOM 0 H GLU A 30 -9.165 0.377 -0.005 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.066 -0.854 -1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.280 0.429 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.041 -0.462 -2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.024 -2.627 -3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.174 -1.686 -4.172 1.00 0.00 H new ATOM 258 N SER A 31 -10.670 -2.953 -0.856 1.00 0.00 N ATOM 259 CA SER A 31 -10.452 -4.306 -0.271 1.00 0.00 C ATOM 260 C SER A 31 -10.245 -5.283 -1.434 1.00 0.00 C ATOM 261 O SER A 31 -11.180 -5.669 -2.106 1.00 0.00 O ATOM 262 CB SER A 31 -11.679 -4.714 0.545 1.00 0.00 C ATOM 263 OG SER A 31 -11.986 -3.551 1.301 1.00 0.00 O ATOM 0 H SER A 31 -11.615 -2.773 -1.195 1.00 0.00 H new ATOM 0 HA SER A 31 -9.584 -4.310 0.388 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.510 -5.003 -0.099 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.465 -5.566 1.191 1.00 0.00 H new ATOM 0 HG SER A 31 -11.155 -3.113 1.580 1.00 0.00 H new ATOM 269 N LEU A 32 -9.009 -5.652 -1.638 1.00 0.00 N ATOM 270 CA LEU A 32 -8.686 -6.578 -2.765 1.00 0.00 C ATOM 271 C LEU A 32 -8.162 -7.943 -2.297 1.00 0.00 C ATOM 272 O LEU A 32 -7.348 -8.050 -1.398 1.00 0.00 O ATOM 273 CB LEU A 32 -7.630 -5.907 -3.652 1.00 0.00 C ATOM 274 CG LEU A 32 -7.387 -6.773 -4.898 1.00 0.00 C ATOM 275 CD1 LEU A 32 -8.675 -6.853 -5.724 1.00 0.00 C ATOM 276 CD2 LEU A 32 -6.300 -6.114 -5.752 1.00 0.00 C ATOM 0 H LEU A 32 -8.211 -5.355 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.610 -6.769 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.965 -4.912 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.701 -5.779 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.080 -7.774 -4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.503 -7.467 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.467 -7.298 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.973 -5.851 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.118 -6.719 -6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.627 -5.118 -6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.380 -6.035 -5.172 1.00 0.00 H new ATOM 288 N LEU A 33 -8.636 -8.959 -2.969 1.00 0.00 N ATOM 289 CA LEU A 33 -8.220 -10.350 -2.636 1.00 0.00 C ATOM 290 C LEU A 33 -7.324 -10.906 -3.746 1.00 0.00 C ATOM 291 O LEU A 33 -7.662 -10.850 -4.912 1.00 0.00 O ATOM 292 CB LEU A 33 -9.472 -11.222 -2.506 1.00 0.00 C ATOM 293 CG LEU A 33 -10.439 -10.903 -3.656 1.00 0.00 C ATOM 294 CD1 LEU A 33 -11.220 -12.171 -4.011 1.00 0.00 C ATOM 295 CD2 LEU A 33 -11.435 -9.840 -3.185 1.00 0.00 C ATOM 0 H LEU A 33 -9.299 -8.882 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.664 -10.351 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.198 -12.277 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.957 -11.040 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.882 -10.544 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.910 -11.957 -4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.525 -12.952 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.782 -12.508 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.127 -9.606 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.993 -10.218 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.895 -8.938 -2.897 1.00 0.00 H new ATOM 307 N VAL A 34 -6.193 -11.426 -3.352 1.00 0.00 N ATOM 308 CA VAL A 34 -5.246 -11.981 -4.366 1.00 0.00 C ATOM 309 C VAL A 34 -4.660 -13.333 -3.937 1.00 0.00 C ATOM 310 O VAL A 34 -4.829 -13.771 -2.816 1.00 0.00 O ATOM 311 CB VAL A 34 -4.102 -10.971 -4.562 1.00 0.00 C ATOM 312 CG1 VAL A 34 -4.108 -10.492 -6.017 1.00 0.00 C ATOM 313 CG2 VAL A 34 -4.317 -9.756 -3.650 1.00 0.00 C ATOM 0 H VAL A 34 -5.884 -11.491 -2.382 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.795 -12.145 -5.293 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.154 -11.450 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.301 -9.775 -6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.965 -11.344 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.063 -10.015 -6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.504 -9.045 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.265 -9.278 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.336 -10.081 -2.610 1.00 0.00 H new ATOM 323 N HIS A 35 -3.985 -13.983 -4.849 1.00 0.00 N ATOM 324 CA HIS A 35 -3.370 -15.300 -4.512 1.00 0.00 C ATOM 325 C HIS A 35 -1.920 -15.342 -5.014 1.00 0.00 C ATOM 326 O HIS A 35 -1.493 -14.486 -5.762 1.00 0.00 O ATOM 327 CB HIS A 35 -4.188 -16.406 -5.190 1.00 0.00 C ATOM 328 CG HIS A 35 -5.539 -15.830 -5.621 1.00 0.00 C ATOM 329 ND1 HIS A 35 -5.691 -14.857 -6.458 1.00 0.00 N ATOM 330 CD2 HIS A 35 -6.828 -16.168 -5.250 1.00 0.00 C ATOM 331 CE1 HIS A 35 -6.952 -14.605 -6.608 1.00 0.00 C ATOM 332 NE2 HIS A 35 -7.696 -15.396 -5.875 1.00 0.00 N ATOM 0 H HIS A 35 -3.834 -13.662 -5.805 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.369 -15.446 -3.432 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.651 -16.796 -6.055 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.335 -17.240 -4.504 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -4.933 -14.363 -6.929 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.086 -16.950 -4.551 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.343 -13.836 -7.258 1.00 0.00 H new ATOM 340 N PRO A 36 -1.205 -16.349 -4.584 1.00 0.00 N ATOM 341 CA PRO A 36 0.251 -16.460 -4.843 1.00 0.00 C ATOM 342 C PRO A 36 0.571 -16.386 -6.340 1.00 0.00 C ATOM 343 O PRO A 36 0.261 -17.293 -7.088 1.00 0.00 O ATOM 344 CB PRO A 36 0.656 -17.820 -4.258 1.00 0.00 C ATOM 345 CG PRO A 36 -0.565 -18.357 -3.456 1.00 0.00 C ATOM 346 CD PRO A 36 -1.776 -17.472 -3.803 1.00 0.00 C ATOM 0 HA PRO A 36 0.801 -15.636 -4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.930 -18.514 -5.052 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.527 -17.717 -3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.765 -19.397 -3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.363 -18.327 -2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.516 -18.023 -4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.277 -17.115 -2.903 1.00 0.00 H new ATOM 354 N GLY A 37 1.180 -15.303 -6.742 1.00 0.00 N ATOM 355 CA GLY A 37 1.537 -15.138 -8.178 1.00 0.00 C ATOM 356 C GLY A 37 0.740 -13.989 -8.802 1.00 0.00 C ATOM 357 O GLY A 37 0.391 -14.042 -9.965 1.00 0.00 O ATOM 0 H GLY A 37 1.445 -14.526 -6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.605 -14.941 -8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.335 -16.063 -8.717 1.00 0.00 H new ATOM 361 N ASP A 38 0.470 -12.973 -8.023 1.00 0.00 N ATOM 362 CA ASP A 38 -0.311 -11.828 -8.579 1.00 0.00 C ATOM 363 C ASP A 38 0.297 -10.445 -8.310 1.00 0.00 C ATOM 364 O ASP A 38 1.195 -10.266 -7.506 1.00 0.00 O ATOM 365 CB ASP A 38 -1.718 -11.850 -7.969 1.00 0.00 C ATOM 366 CG ASP A 38 -2.519 -13.045 -8.492 1.00 0.00 C ATOM 367 OD1 ASP A 38 -2.233 -13.466 -9.602 1.00 0.00 O ATOM 368 OD2 ASP A 38 -3.387 -13.458 -7.741 1.00 0.00 O ATOM 0 H ASP A 38 0.750 -12.886 -7.046 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.313 -11.965 -9.660 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.647 -11.901 -6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.239 -10.924 -8.211 1.00 0.00 H new ATOM 373 N LEU A 39 -0.257 -9.501 -9.024 1.00 0.00 N ATOM 374 CA LEU A 39 0.166 -8.082 -8.898 1.00 0.00 C ATOM 375 C LEU A 39 -0.972 -7.319 -8.221 1.00 0.00 C ATOM 376 O LEU A 39 -2.079 -7.253 -8.716 1.00 0.00 O ATOM 377 CB LEU A 39 0.419 -7.503 -10.295 1.00 0.00 C ATOM 378 CG LEU A 39 1.656 -8.175 -10.907 1.00 0.00 C ATOM 379 CD1 LEU A 39 1.241 -9.486 -11.584 1.00 0.00 C ATOM 380 CD2 LEU A 39 2.252 -7.241 -11.965 1.00 0.00 C ATOM 0 H LEU A 39 -1.001 -9.661 -9.703 1.00 0.00 H new ATOM 0 HA LEU A 39 1.082 -7.999 -8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.450 -7.667 -10.932 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.570 -6.425 -10.233 1.00 0.00 H new ATOM 0 HG LEU A 39 2.388 -8.380 -10.126 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.118 -9.964 -12.019 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.794 -10.151 -10.845 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.515 -9.276 -12.370 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.132 -7.707 -12.408 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.512 -7.052 -12.742 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.537 -6.298 -11.499 1.00 0.00 H new ATOM 392 N LEU A 40 -0.644 -6.763 -7.092 1.00 0.00 N ATOM 393 CA LEU A 40 -1.652 -5.999 -6.300 1.00 0.00 C ATOM 394 C LEU A 40 -1.165 -4.557 -6.122 1.00 0.00 C ATOM 395 O LEU A 40 -0.003 -4.338 -5.849 1.00 0.00 O ATOM 396 CB LEU A 40 -1.797 -6.715 -4.944 1.00 0.00 C ATOM 397 CG LEU A 40 -1.919 -5.706 -3.794 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.270 -4.992 -3.881 1.00 0.00 C ATOM 399 CD2 LEU A 40 -1.867 -6.479 -2.474 1.00 0.00 C ATOM 0 H LEU A 40 0.287 -6.804 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.619 -5.960 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.677 -7.358 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.934 -7.359 -4.776 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.112 -4.976 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.356 -4.276 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.343 -4.467 -4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.074 -5.724 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.952 -5.782 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.691 -7.191 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.921 -7.015 -2.403 1.00 0.00 H new ATOM 411 N GLN A 41 -2.038 -3.602 -6.299 1.00 0.00 N ATOM 412 CA GLN A 41 -1.591 -2.185 -6.140 1.00 0.00 C ATOM 413 C GLN A 41 -2.574 -1.326 -5.333 1.00 0.00 C ATOM 414 O GLN A 41 -3.767 -1.558 -5.326 1.00 0.00 O ATOM 415 CB GLN A 41 -1.422 -1.553 -7.531 1.00 0.00 C ATOM 416 CG GLN A 41 -0.734 -2.551 -8.475 1.00 0.00 C ATOM 417 CD GLN A 41 -1.749 -3.576 -8.997 1.00 0.00 C ATOM 418 OE1 GLN A 41 -3.003 -3.486 -8.639 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -1.408 -4.473 -9.742 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.020 -3.734 -6.541 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.650 -2.211 -5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.395 -1.270 -7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.830 -0.641 -7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.282 -2.018 -9.312 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.072 -3.063 -7.949 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.433 -4.555 -10.029 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.097 -5.145 -10.080 1.00 0.00 H new ATOM 428 N LEU A 42 -2.016 -0.348 -4.670 1.00 0.00 N ATOM 429 CA LEU A 42 -2.828 0.599 -3.855 1.00 0.00 C ATOM 430 C LEU A 42 -2.415 2.016 -4.251 1.00 0.00 C ATOM 431 O LEU A 42 -1.250 2.352 -4.170 1.00 0.00 O ATOM 432 CB LEU A 42 -2.535 0.400 -2.355 1.00 0.00 C ATOM 433 CG LEU A 42 -1.267 -0.443 -2.151 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.615 -0.046 -0.817 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.665 -1.918 -2.074 1.00 0.00 C ATOM 0 H LEU A 42 -1.013 -0.163 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.890 0.427 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.413 1.370 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.383 -0.090 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.573 -0.278 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.287 -0.639 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.354 1.012 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.314 -0.229 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.774 -2.528 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.347 -2.068 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.158 -2.211 -3.001 1.00 0.00 H new ATOM 447 N ARG A 43 -3.366 2.798 -4.684 1.00 0.00 N ATOM 448 CA ARG A 43 -3.041 4.195 -5.089 1.00 0.00 C ATOM 449 C ARG A 43 -3.508 5.168 -4.025 1.00 0.00 C ATOM 450 O ARG A 43 -4.662 5.192 -3.650 1.00 0.00 O ATOM 451 CB ARG A 43 -3.737 4.500 -6.419 1.00 0.00 C ATOM 452 CG ARG A 43 -3.013 5.663 -7.106 1.00 0.00 C ATOM 453 CD ARG A 43 -1.665 5.167 -7.626 1.00 0.00 C ATOM 454 NE ARG A 43 -0.995 6.292 -8.339 1.00 0.00 N ATOM 455 CZ ARG A 43 -0.820 6.236 -9.631 1.00 0.00 C ATOM 456 NH1 ARG A 43 -1.593 5.467 -10.350 1.00 0.00 N ATOM 457 NH2 ARG A 43 0.127 6.960 -10.160 1.00 0.00 N ATOM 0 H ARG A 43 -4.347 2.533 -4.774 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.962 4.301 -5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.726 3.619 -7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.782 4.756 -6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.615 6.049 -7.928 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.868 6.484 -6.404 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.045 4.818 -6.800 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.806 4.321 -8.299 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.673 7.107 -7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.325 4.917 -9.901 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.464 5.416 -11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.709 7.551 -9.566 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.286 6.935 -11.167 1.00 0.00 H new ATOM 471 N CYS A 44 -2.576 5.957 -3.570 1.00 0.00 N ATOM 472 CA CYS A 44 -2.907 6.946 -2.511 1.00 0.00 C ATOM 473 C CYS A 44 -3.495 8.231 -3.082 1.00 0.00 C ATOM 474 O CYS A 44 -3.478 8.481 -4.271 1.00 0.00 O ATOM 475 CB CYS A 44 -1.627 7.304 -1.764 1.00 0.00 C ATOM 476 SG CYS A 44 -1.764 7.686 -0.003 1.00 0.00 S ATOM 0 H CYS A 44 -1.606 5.959 -3.884 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.650 6.493 -1.855 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.930 6.473 -1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.178 8.164 -2.260 1.00 0.00 H new ATOM 481 N ARG A 45 -3.966 9.020 -2.159 1.00 0.00 N ATOM 482 CA ARG A 45 -4.587 10.337 -2.486 1.00 0.00 C ATOM 483 C ARG A 45 -3.480 11.358 -2.727 1.00 0.00 C ATOM 484 O ARG A 45 -2.555 11.446 -1.945 1.00 0.00 O ATOM 485 CB ARG A 45 -5.438 10.759 -1.282 1.00 0.00 C ATOM 486 CG ARG A 45 -6.179 12.059 -1.595 1.00 0.00 C ATOM 487 CD ARG A 45 -6.769 12.609 -0.289 1.00 0.00 C ATOM 488 NE ARG A 45 -7.562 11.528 0.368 1.00 0.00 N ATOM 489 CZ ARG A 45 -8.854 11.667 0.488 1.00 0.00 C ATOM 490 NH1 ARG A 45 -9.322 12.744 1.056 1.00 0.00 N ATOM 491 NH2 ARG A 45 -9.636 10.732 0.023 1.00 0.00 N ATOM 0 H ARG A 45 -3.947 8.802 -1.163 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.207 10.271 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.153 9.973 -1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.803 10.895 -0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.498 12.786 -2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.971 11.878 -2.322 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.972 12.949 0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.403 13.472 -0.494 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.099 10.690 0.719 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.681 13.460 1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.329 12.870 1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.235 9.908 -0.426 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.648 10.825 0.108 1.00 0.00 H new ATOM 505 N LEU A 46 -3.576 12.114 -3.791 1.00 0.00 N ATOM 506 CA LEU A 46 -2.485 13.100 -4.017 1.00 0.00 C ATOM 507 C LEU A 46 -3.065 14.512 -4.085 1.00 0.00 C ATOM 508 O LEU A 46 -4.181 14.709 -4.521 1.00 0.00 O ATOM 509 CB LEU A 46 -1.780 12.705 -5.316 1.00 0.00 C ATOM 510 CG LEU A 46 -1.104 11.354 -5.096 1.00 0.00 C ATOM 511 CD1 LEU A 46 -0.634 10.812 -6.450 1.00 0.00 C ATOM 512 CD2 LEU A 46 0.112 11.538 -4.183 1.00 0.00 C ATOM 0 H LEU A 46 -4.326 12.094 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.765 13.097 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.497 12.643 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.043 13.459 -5.594 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.806 10.659 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.149 9.846 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.492 10.693 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.074 11.511 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.597 10.575 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.817 12.226 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.211 11.944 -3.224 1.00 0.00 H new ATOM 524 N ARG A 47 -2.335 15.468 -3.577 1.00 0.00 N ATOM 525 CA ARG A 47 -2.863 16.861 -3.626 1.00 0.00 C ATOM 526 C ARG A 47 -1.714 17.864 -3.675 1.00 0.00 C ATOM 527 O ARG A 47 -0.564 17.503 -3.519 1.00 0.00 O ATOM 528 CB ARG A 47 -3.700 17.148 -2.363 1.00 0.00 C ATOM 529 CG ARG A 47 -4.297 15.850 -1.801 1.00 0.00 C ATOM 530 CD ARG A 47 -5.469 16.204 -0.887 1.00 0.00 C ATOM 531 NE ARG A 47 -6.582 16.697 -1.748 1.00 0.00 N ATOM 532 CZ ARG A 47 -7.358 17.665 -1.345 1.00 0.00 C ATOM 533 NH1 ARG A 47 -7.210 18.169 -0.149 1.00 0.00 N ATOM 534 NH2 ARG A 47 -8.267 18.086 -2.179 1.00 0.00 N ATOM 0 H ARG A 47 -1.420 15.351 -3.141 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.479 16.960 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.075 17.624 -1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.500 17.848 -2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.633 15.206 -2.614 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.540 15.295 -1.247 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.785 15.332 -0.315 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.175 16.968 -0.167 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.738 16.273 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.487 17.806 0.472 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.818 18.926 0.164 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.348 17.660 -3.102 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.897 18.841 -1.908 1.00 0.00 H new ATOM 548 N ASP A 48 -2.051 19.105 -3.897 1.00 0.00 N ATOM 549 CA ASP A 48 -0.989 20.149 -3.924 1.00 0.00 C ATOM 550 C ASP A 48 -0.587 20.446 -2.476 1.00 0.00 C ATOM 551 O ASP A 48 -0.103 21.514 -2.156 1.00 0.00 O ATOM 552 CB ASP A 48 -1.560 21.411 -4.584 1.00 0.00 C ATOM 553 CG ASP A 48 -0.443 22.439 -4.811 1.00 0.00 C ATOM 554 OD1 ASP A 48 0.706 22.031 -4.753 1.00 0.00 O ATOM 555 OD2 ASP A 48 -0.810 23.580 -5.041 1.00 0.00 O ATOM 0 H ASP A 48 -3.002 19.438 -4.059 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.118 19.815 -4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.027 21.154 -5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.338 21.841 -3.953 1.00 0.00 H new ATOM 560 N ASP A 49 -0.810 19.470 -1.638 1.00 0.00 N ATOM 561 CA ASP A 49 -0.467 19.614 -0.198 1.00 0.00 C ATOM 562 C ASP A 49 0.381 18.411 0.212 1.00 0.00 C ATOM 563 O ASP A 49 1.548 18.553 0.517 1.00 0.00 O ATOM 564 CB ASP A 49 -1.764 19.639 0.615 1.00 0.00 C ATOM 565 CG ASP A 49 -2.691 20.712 0.039 1.00 0.00 C ATOM 566 OD1 ASP A 49 -2.307 21.867 0.135 1.00 0.00 O ATOM 567 OD2 ASP A 49 -3.727 20.315 -0.469 1.00 0.00 O ATOM 0 H ASP A 49 -1.219 18.571 -1.894 1.00 0.00 H new ATOM 0 HA ASP A 49 0.088 20.535 -0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.249 18.664 0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.548 19.850 1.662 1.00 0.00 H new ATOM 572 N VAL A 50 -0.221 17.250 0.203 1.00 0.00 N ATOM 573 CA VAL A 50 0.539 16.033 0.580 1.00 0.00 C ATOM 574 C VAL A 50 1.791 15.903 -0.284 1.00 0.00 C ATOM 575 O VAL A 50 1.774 16.086 -1.485 1.00 0.00 O ATOM 576 CB VAL A 50 -0.365 14.811 0.394 1.00 0.00 C ATOM 577 CG1 VAL A 50 -1.580 14.963 1.315 1.00 0.00 C ATOM 578 CG2 VAL A 50 -0.853 14.761 -1.052 1.00 0.00 C ATOM 0 H VAL A 50 -1.198 17.097 -0.048 1.00 0.00 H new ATOM 0 HA VAL A 50 0.852 16.102 1.622 1.00 0.00 H new ATOM 0 HB VAL A 50 0.185 13.900 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.237 14.101 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.246 15.025 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.123 15.871 1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.497 13.892 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.414 15.668 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.003 14.687 -1.723 1.00 0.00 H new ATOM 588 N GLN A 51 2.852 15.593 0.400 1.00 0.00 N ATOM 589 CA GLN A 51 4.177 15.422 -0.257 1.00 0.00 C ATOM 590 C GLN A 51 4.797 14.106 0.206 1.00 0.00 C ATOM 591 O GLN A 51 5.648 13.554 -0.464 1.00 0.00 O ATOM 592 CB GLN A 51 5.103 16.571 0.153 1.00 0.00 C ATOM 593 CG GLN A 51 4.350 17.896 0.044 1.00 0.00 C ATOM 594 CD GLN A 51 5.346 19.042 0.226 1.00 0.00 C ATOM 595 OE1 GLN A 51 5.562 19.503 1.427 1.00 0.00 O flip ATOM 596 NE2 GLN A 51 5.943 19.521 -0.718 1.00 0.00 N flip ATOM 0 H GLN A 51 2.858 15.447 1.410 1.00 0.00 H new ATOM 0 HA GLN A 51 4.048 15.419 -1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.454 16.423 1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.985 16.588 -0.488 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.859 17.973 -0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.569 17.950 0.802 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.778 19.165 -1.659 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.609 20.279 -0.569 1.00 0.00 H new ATOM 605 N SER A 52 4.359 13.627 1.341 1.00 0.00 N ATOM 606 CA SER A 52 4.929 12.354 1.847 1.00 0.00 C ATOM 607 C SER A 52 3.776 11.374 1.933 1.00 0.00 C ATOM 608 O SER A 52 2.750 11.686 2.502 1.00 0.00 O ATOM 609 CB SER A 52 5.524 12.590 3.236 1.00 0.00 C ATOM 610 OG SER A 52 6.527 13.570 3.008 1.00 0.00 O ATOM 0 H SER A 52 3.644 14.057 1.927 1.00 0.00 H new ATOM 0 HA SER A 52 5.717 11.973 1.197 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.771 12.944 3.940 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.945 11.675 3.653 1.00 0.00 H new ATOM 0 HG SER A 52 6.969 13.789 3.855 1.00 0.00 H new ATOM 616 N ILE A 53 3.950 10.237 1.325 1.00 0.00 N ATOM 617 CA ILE A 53 2.867 9.226 1.366 1.00 0.00 C ATOM 618 C ILE A 53 3.414 7.955 2.000 1.00 0.00 C ATOM 619 O ILE A 53 4.262 7.281 1.448 1.00 0.00 O ATOM 620 CB ILE A 53 2.422 8.935 -0.054 1.00 0.00 C ATOM 621 CG1 ILE A 53 2.099 10.251 -0.789 1.00 0.00 C ATOM 622 CG2 ILE A 53 1.180 8.044 -0.019 1.00 0.00 C ATOM 623 CD1 ILE A 53 0.960 10.985 -0.079 1.00 0.00 C ATOM 0 H ILE A 53 4.786 9.967 0.807 1.00 0.00 H new ATOM 0 HA ILE A 53 2.021 9.592 1.948 1.00 0.00 H new ATOM 0 HB ILE A 53 3.225 8.425 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.985 10.885 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.819 10.041 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.856 7.832 -1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.417 7.109 0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.380 8.555 0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.740 11.913 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.071 10.354 -0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.256 11.211 0.945 1.00 0.00 H new ATOM 635 N ASN A 54 2.900 7.669 3.158 1.00 0.00 N ATOM 636 CA ASN A 54 3.349 6.448 3.883 1.00 0.00 C ATOM 637 C ASN A 54 2.301 5.365 3.685 1.00 0.00 C ATOM 638 O ASN A 54 1.124 5.652 3.753 1.00 0.00 O ATOM 639 CB ASN A 54 3.415 6.726 5.379 1.00 0.00 C ATOM 640 CG ASN A 54 3.344 8.219 5.659 1.00 0.00 C ATOM 641 OD1 ASN A 54 2.485 8.604 6.558 1.00 0.00 O flip ATOM 642 ND2 ASN A 54 4.049 9.028 5.087 1.00 0.00 N flip ATOM 0 H ASN A 54 2.190 8.224 3.636 1.00 0.00 H new ATOM 0 HA ASN A 54 4.327 6.149 3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.593 6.218 5.884 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.340 6.319 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.719 8.714 4.384 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.971 10.020 5.310 1.00 0.00 H new ATOM 649 N TRP A 55 2.716 4.147 3.485 1.00 0.00 N ATOM 650 CA TRP A 55 1.700 3.081 3.305 1.00 0.00 C ATOM 651 C TRP A 55 1.729 2.219 4.563 1.00 0.00 C ATOM 652 O TRP A 55 2.617 1.409 4.727 1.00 0.00 O ATOM 653 CB TRP A 55 2.087 2.270 2.085 1.00 0.00 C ATOM 654 CG TRP A 55 1.927 3.167 0.857 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.909 3.897 0.256 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.789 3.298 0.153 1.00 0.00 C ATOM 657 NE1 TRP A 55 2.290 4.410 -0.791 1.00 0.00 N ATOM 658 CE2 TRP A 55 1.007 4.110 -0.936 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.455 2.748 0.375 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.021 4.369 -1.815 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.487 3.008 -0.505 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.268 3.819 -1.602 1.00 0.00 C ATOM 0 H TRP A 55 3.691 3.850 3.439 1.00 0.00 H new ATOM 0 HA TRP A 55 0.697 3.480 3.158 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.115 1.919 2.170 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.455 1.386 1.998 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.937 4.024 0.561 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.776 5.010 -1.458 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.622 2.116 1.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 0.149 5.004 -2.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.463 2.578 -0.336 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.073 4.022 -2.293 1.00 0.00 H new ATOM 673 N LEU A 56 0.730 2.343 5.395 1.00 0.00 N ATOM 674 CA LEU A 56 0.758 1.547 6.647 1.00 0.00 C ATOM 675 C LEU A 56 0.336 0.123 6.295 1.00 0.00 C ATOM 676 O LEU A 56 -0.823 -0.119 6.018 1.00 0.00 O ATOM 677 CB LEU A 56 -0.272 2.076 7.664 1.00 0.00 C ATOM 678 CG LEU A 56 -0.359 3.607 7.673 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.829 3.975 7.909 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.455 4.160 8.846 1.00 0.00 C ATOM 0 H LEU A 56 -0.083 2.945 5.265 1.00 0.00 H new ATOM 0 HA LEU A 56 1.758 1.602 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.253 1.661 7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.006 1.725 8.661 1.00 0.00 H new ATOM 0 HG LEU A 56 0.020 4.014 6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.935 5.060 7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.441 3.561 7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.157 3.566 8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.392 5.248 8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.056 3.769 9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.497 3.857 8.741 1.00 0.00 H new ATOM 692 N ARG A 57 1.271 -0.786 6.335 1.00 0.00 N ATOM 693 CA ARG A 57 0.922 -2.193 5.992 1.00 0.00 C ATOM 694 C ARG A 57 0.249 -2.829 7.196 1.00 0.00 C ATOM 695 O ARG A 57 0.606 -2.547 8.320 1.00 0.00 O ATOM 696 CB ARG A 57 2.207 -2.956 5.677 1.00 0.00 C ATOM 697 CG ARG A 57 1.906 -4.465 5.628 1.00 0.00 C ATOM 698 CD ARG A 57 3.045 -5.226 6.312 1.00 0.00 C ATOM 699 NE ARG A 57 4.284 -5.035 5.508 1.00 0.00 N ATOM 700 CZ ARG A 57 4.873 -6.072 4.980 1.00 0.00 C ATOM 701 NH1 ARG A 57 5.900 -6.595 5.592 1.00 0.00 N ATOM 702 NH2 ARG A 57 4.415 -6.552 3.857 1.00 0.00 N ATOM 0 H ARG A 57 2.246 -0.620 6.586 1.00 0.00 H new ATOM 0 HA ARG A 57 0.255 -2.221 5.131 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.615 -2.624 4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.961 -2.749 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.960 -4.676 6.127 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.802 -4.794 4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.191 -4.858 7.328 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.802 -6.286 6.388 1.00 0.00 H new ATOM 0 HE ARG A 57 4.669 -4.100 5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.230 -6.193 6.469 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.373 -7.406 5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.610 -6.117 3.407 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.862 -7.362 3.429 1.00 0.00 H new ATOM 716 N ASP A 58 -0.765 -3.600 6.915 1.00 0.00 N ATOM 717 CA ASP A 58 -1.516 -4.297 7.994 1.00 0.00 C ATOM 718 C ASP A 58 -2.221 -3.270 8.876 1.00 0.00 C ATOM 719 O ASP A 58 -3.431 -3.170 8.852 1.00 0.00 O ATOM 720 CB ASP A 58 -0.554 -5.137 8.841 1.00 0.00 C ATOM 721 CG ASP A 58 -1.380 -6.108 9.694 1.00 0.00 C ATOM 722 OD1 ASP A 58 -2.577 -6.156 9.452 1.00 0.00 O ATOM 723 OD2 ASP A 58 -0.766 -6.748 10.531 1.00 0.00 O ATOM 0 H ASP A 58 -1.108 -3.778 5.971 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.260 -4.955 7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.134 -5.687 8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.051 -4.493 9.479 1.00 0.00 H new ATOM 728 N GLY A 59 -1.439 -2.562 9.651 1.00 0.00 N ATOM 729 CA GLY A 59 -2.000 -1.506 10.540 1.00 0.00 C ATOM 730 C GLY A 59 -0.914 -0.508 10.983 1.00 0.00 C ATOM 731 O GLY A 59 -1.145 0.296 11.863 1.00 0.00 O ATOM 0 H GLY A 59 -0.427 -2.673 9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.795 -0.973 10.018 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.450 -1.969 11.418 1.00 0.00 H new ATOM 735 N VAL A 60 0.244 -0.571 10.370 1.00 0.00 N ATOM 736 CA VAL A 60 1.338 0.369 10.765 1.00 0.00 C ATOM 737 C VAL A 60 2.147 0.840 9.548 1.00 0.00 C ATOM 738 O VAL A 60 2.320 0.112 8.591 1.00 0.00 O ATOM 739 CB VAL A 60 2.273 -0.356 11.743 1.00 0.00 C ATOM 740 CG1 VAL A 60 3.385 0.604 12.181 1.00 0.00 C ATOM 741 CG2 VAL A 60 1.475 -0.777 12.982 1.00 0.00 C ATOM 0 H VAL A 60 0.477 -1.225 9.622 1.00 0.00 H new ATOM 0 HA VAL A 60 0.890 1.248 11.229 1.00 0.00 H new ATOM 0 HB VAL A 60 2.703 -1.232 11.257 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.053 0.095 12.876 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.950 0.929 11.307 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.944 1.472 12.671 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.133 -1.293 13.681 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.056 0.107 13.463 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.667 -1.445 12.685 1.00 0.00 H new ATOM 751 N GLN A 61 2.631 2.052 9.637 1.00 0.00 N ATOM 752 CA GLN A 61 3.443 2.651 8.532 1.00 0.00 C ATOM 753 C GLN A 61 4.338 1.633 7.835 1.00 0.00 C ATOM 754 O GLN A 61 4.995 0.830 8.469 1.00 0.00 O ATOM 755 CB GLN A 61 4.313 3.761 9.130 1.00 0.00 C ATOM 756 CG GLN A 61 5.069 4.476 8.005 1.00 0.00 C ATOM 757 CD GLN A 61 6.417 3.783 7.795 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.657 3.202 6.652 1.00 0.00 O flip ATOM 759 NE2 GLN A 61 7.262 3.762 8.667 1.00 0.00 N flip ATOM 0 H GLN A 61 2.496 2.663 10.442 1.00 0.00 H new ATOM 0 HA GLN A 61 2.756 3.036 7.779 1.00 0.00 H new ATOM 0 HB2 GLN A 61 3.692 4.472 9.675 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.018 3.340 9.847 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.486 4.452 7.085 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.220 5.525 8.260 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.081 4.214 9.563 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.152 3.292 8.503 1.00 0.00 H new ATOM 768 N LEU A 62 4.339 1.699 6.531 1.00 0.00 N ATOM 769 CA LEU A 62 5.189 0.751 5.765 1.00 0.00 C ATOM 770 C LEU A 62 5.495 1.196 4.334 1.00 0.00 C ATOM 771 O LEU A 62 4.783 1.959 3.707 1.00 0.00 O ATOM 772 CB LEU A 62 4.501 -0.608 5.686 1.00 0.00 C ATOM 773 CG LEU A 62 5.591 -1.655 5.391 1.00 0.00 C ATOM 774 CD1 LEU A 62 5.700 -2.622 6.576 1.00 0.00 C ATOM 775 CD2 LEU A 62 5.230 -2.432 4.121 1.00 0.00 C ATOM 0 H LEU A 62 3.797 2.358 5.973 1.00 0.00 H new ATOM 0 HA LEU A 62 6.134 0.707 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.992 -0.836 6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.743 -0.610 4.902 1.00 0.00 H new ATOM 0 HG LEU A 62 6.547 -1.153 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.471 -3.364 6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.963 -2.066 7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.744 -3.124 6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.003 -3.172 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.274 -2.936 4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.156 -1.742 3.281 1.00 0.00 H new ATOM 787 N VAL A 63 6.664 0.768 3.956 1.00 0.00 N ATOM 788 CA VAL A 63 7.215 0.993 2.589 1.00 0.00 C ATOM 789 C VAL A 63 8.364 -0.005 2.395 1.00 0.00 C ATOM 790 O VAL A 63 9.371 0.089 3.069 1.00 0.00 O ATOM 791 CB VAL A 63 7.660 2.460 2.481 1.00 0.00 C ATOM 792 CG1 VAL A 63 8.394 2.872 3.761 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.607 2.644 1.294 1.00 0.00 C ATOM 0 H VAL A 63 7.291 0.246 4.568 1.00 0.00 H new ATOM 0 HA VAL A 63 6.482 0.825 1.800 1.00 0.00 H new ATOM 0 HB VAL A 63 6.774 3.079 2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.708 3.913 3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.727 2.759 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.270 2.238 3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.913 3.688 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.487 2.015 1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.097 2.360 0.374 1.00 0.00 H new ATOM 843 N ARG A 67 10.288 -7.211 -3.928 1.00 0.00 N ATOM 844 CA ARG A 67 8.954 -7.862 -4.101 1.00 0.00 C ATOM 845 C ARG A 67 7.905 -6.776 -4.359 1.00 0.00 C ATOM 846 O ARG A 67 6.987 -6.946 -5.140 1.00 0.00 O ATOM 847 CB ARG A 67 8.589 -8.654 -2.835 1.00 0.00 C ATOM 848 CG ARG A 67 9.755 -9.583 -2.478 1.00 0.00 C ATOM 849 CD ARG A 67 9.441 -10.279 -1.152 1.00 0.00 C ATOM 850 NE ARG A 67 10.610 -11.128 -0.785 1.00 0.00 N ATOM 851 CZ ARG A 67 11.275 -10.864 0.305 1.00 0.00 C ATOM 852 NH1 ARG A 67 11.011 -11.544 1.387 1.00 0.00 N ATOM 853 NH2 ARG A 67 12.185 -9.928 0.277 1.00 0.00 N ATOM 0 HA ARG A 67 8.986 -8.551 -4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.384 -7.972 -2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.682 -9.235 -3.002 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.905 -10.321 -3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.680 -9.013 -2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.246 -9.542 -0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.542 -10.889 -1.246 1.00 0.00 H new ATOM 0 HE ARG A 67 10.887 -11.908 -1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.294 -12.269 1.371 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.522 -11.350 2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.365 -9.418 -0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.716 -9.707 1.120 1.00 0.00 H new ATOM 867 N THR A 68 8.053 -5.678 -3.666 1.00 0.00 N ATOM 868 CA THR A 68 7.096 -4.569 -3.866 1.00 0.00 C ATOM 869 C THR A 68 7.838 -3.275 -4.195 1.00 0.00 C ATOM 870 O THR A 68 8.958 -3.046 -3.785 1.00 0.00 O ATOM 871 CB THR A 68 6.282 -4.395 -2.584 1.00 0.00 C ATOM 872 OG1 THR A 68 5.556 -3.194 -2.796 1.00 0.00 O ATOM 873 CG2 THR A 68 7.192 -4.080 -1.400 1.00 0.00 C ATOM 0 H THR A 68 8.788 -5.509 -2.980 1.00 0.00 H new ATOM 0 HA THR A 68 6.435 -4.801 -4.701 1.00 0.00 H new ATOM 0 HB THR A 68 5.694 -5.290 -2.382 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.151 -3.210 -3.688 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.589 -3.961 -0.500 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.900 -4.897 -1.257 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.738 -3.157 -1.596 1.00 0.00 H new ATOM 881 N ARG A 69 7.147 -2.467 -4.942 1.00 0.00 N ATOM 882 CA ARG A 69 7.664 -1.144 -5.369 1.00 0.00 C ATOM 883 C ARG A 69 6.762 -0.137 -4.669 1.00 0.00 C ATOM 884 O ARG A 69 5.659 0.121 -5.105 1.00 0.00 O ATOM 885 CB ARG A 69 7.515 -1.015 -6.886 1.00 0.00 C ATOM 886 CG ARG A 69 8.663 -1.769 -7.559 1.00 0.00 C ATOM 887 CD ARG A 69 8.136 -2.463 -8.820 1.00 0.00 C ATOM 888 NE ARG A 69 7.423 -1.454 -9.658 1.00 0.00 N ATOM 889 CZ ARG A 69 7.915 -1.082 -10.808 1.00 0.00 C ATOM 890 NH1 ARG A 69 9.133 -1.417 -11.136 1.00 0.00 N ATOM 891 NH2 ARG A 69 7.150 -0.373 -11.590 1.00 0.00 N ATOM 0 H ARG A 69 6.210 -2.679 -5.286 1.00 0.00 H new ATOM 0 HA ARG A 69 8.715 -0.996 -5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.556 -1.422 -7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.530 0.035 -7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.466 -1.079 -7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.083 -2.504 -6.873 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.960 -2.906 -9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.461 -3.275 -8.550 1.00 0.00 H new ATOM 0 HE ARG A 69 6.545 -1.052 -9.329 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.700 -1.970 -10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.517 -1.126 -12.035 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.205 -0.129 -11.294 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.497 -0.062 -12.498 1.00 0.00 H new ATOM 905 N ILE A 70 7.215 0.327 -3.541 1.00 0.00 N ATOM 906 CA ILE A 70 6.397 1.308 -2.781 1.00 0.00 C ATOM 907 C ILE A 70 6.753 2.722 -3.209 1.00 0.00 C ATOM 908 O ILE A 70 7.662 3.323 -2.671 1.00 0.00 O ATOM 909 CB ILE A 70 6.700 1.167 -1.293 1.00 0.00 C ATOM 910 CG1 ILE A 70 8.137 0.636 -1.079 1.00 0.00 C ATOM 911 CG2 ILE A 70 5.737 0.156 -0.666 1.00 0.00 C ATOM 912 CD1 ILE A 70 9.169 1.536 -1.773 1.00 0.00 C ATOM 0 H ILE A 70 8.107 0.073 -3.116 1.00 0.00 H new ATOM 0 HA ILE A 70 5.342 1.117 -2.977 1.00 0.00 H new ATOM 0 HB ILE A 70 6.591 2.149 -0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.354 0.585 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.215 -0.379 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.955 0.057 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.711 0.502 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.858 -0.812 -1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.170 1.138 -1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.965 1.566 -2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.106 2.544 -1.364 1.00 0.00 H new ATOM 924 N THR A 71 6.029 3.266 -4.144 1.00 0.00 N ATOM 925 CA THR A 71 6.408 4.637 -4.544 1.00 0.00 C ATOM 926 C THR A 71 5.695 5.658 -3.652 1.00 0.00 C ATOM 927 O THR A 71 4.602 5.425 -3.170 1.00 0.00 O ATOM 928 CB THR A 71 6.039 4.886 -6.006 1.00 0.00 C ATOM 929 OG1 THR A 71 4.700 5.344 -5.935 1.00 0.00 O ATOM 930 CG2 THR A 71 5.974 3.577 -6.801 1.00 0.00 C ATOM 0 H THR A 71 5.234 2.845 -4.624 1.00 0.00 H new ATOM 0 HA THR A 71 7.486 4.747 -4.428 1.00 0.00 H new ATOM 0 HB THR A 71 6.759 5.555 -6.477 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.371 5.534 -6.838 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.709 3.793 -7.836 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.946 3.084 -6.770 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.221 2.922 -6.363 1.00 0.00 H new ATOM 938 N GLY A 72 6.377 6.748 -3.436 1.00 0.00 N ATOM 939 CA GLY A 72 5.845 7.866 -2.602 1.00 0.00 C ATOM 940 C GLY A 72 4.369 8.203 -2.849 1.00 0.00 C ATOM 941 O GLY A 72 3.870 9.157 -2.288 1.00 0.00 O ATOM 0 H GLY A 72 7.309 6.916 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.974 7.610 -1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.444 8.758 -2.789 1.00 0.00 H new ATOM 945 N GLU A 73 3.713 7.492 -3.726 1.00 0.00 N ATOM 946 CA GLU A 73 2.265 7.774 -3.951 1.00 0.00 C ATOM 947 C GLU A 73 1.502 6.520 -4.405 1.00 0.00 C ATOM 948 O GLU A 73 0.291 6.460 -4.323 1.00 0.00 O ATOM 949 CB GLU A 73 2.134 8.852 -5.026 1.00 0.00 C ATOM 950 CG GLU A 73 2.864 8.387 -6.291 1.00 0.00 C ATOM 951 CD GLU A 73 2.376 9.219 -7.479 1.00 0.00 C ATOM 952 OE1 GLU A 73 2.695 10.397 -7.485 1.00 0.00 O ATOM 953 OE2 GLU A 73 1.708 8.624 -8.308 1.00 0.00 O ATOM 0 H GLU A 73 4.109 6.739 -4.289 1.00 0.00 H new ATOM 0 HA GLU A 73 1.833 8.107 -3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.083 9.039 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.558 9.791 -4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.941 8.501 -6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.674 7.329 -6.469 1.00 0.00 H new ATOM 960 N GLU A 74 2.215 5.523 -4.851 1.00 0.00 N ATOM 961 CA GLU A 74 1.525 4.300 -5.335 1.00 0.00 C ATOM 962 C GLU A 74 2.324 3.086 -4.893 1.00 0.00 C ATOM 963 O GLU A 74 3.513 3.000 -5.117 1.00 0.00 O ATOM 964 CB GLU A 74 1.471 4.343 -6.865 1.00 0.00 C ATOM 965 CG GLU A 74 0.846 3.040 -7.378 1.00 0.00 C ATOM 966 CD GLU A 74 0.830 3.060 -8.909 1.00 0.00 C ATOM 967 OE1 GLU A 74 1.908 3.211 -9.460 1.00 0.00 O ATOM 968 OE2 GLU A 74 -0.259 2.918 -9.441 1.00 0.00 O ATOM 0 H GLU A 74 3.234 5.503 -4.900 1.00 0.00 H new ATOM 0 HA GLU A 74 0.514 4.245 -4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.884 5.199 -7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.474 4.466 -7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.416 2.183 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.168 2.932 -6.993 1.00 0.00 H new ATOM 975 N VAL A 75 1.657 2.157 -4.280 1.00 0.00 N ATOM 976 CA VAL A 75 2.401 0.955 -3.829 1.00 0.00 C ATOM 977 C VAL A 75 1.985 -0.229 -4.668 1.00 0.00 C ATOM 978 O VAL A 75 0.815 -0.537 -4.759 1.00 0.00 O ATOM 979 CB VAL A 75 2.083 0.696 -2.370 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.533 -0.719 -1.985 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.872 1.709 -1.568 1.00 0.00 C ATOM 0 H VAL A 75 0.658 2.173 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 75 3.474 1.113 -3.941 1.00 0.00 H new ATOM 0 HB VAL A 75 1.013 0.782 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.303 -0.901 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.009 -1.448 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.607 -0.815 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.677 1.564 -0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.936 1.578 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.572 2.716 -1.858 1.00 0.00 H new ATOM 991 N GLU A 76 2.956 -0.808 -5.313 1.00 0.00 N ATOM 992 CA GLU A 76 2.645 -2.002 -6.152 1.00 0.00 C ATOM 993 C GLU A 76 3.409 -3.227 -5.641 1.00 0.00 C ATOM 994 O GLU A 76 4.596 -3.152 -5.415 1.00 0.00 O ATOM 995 CB GLU A 76 3.077 -1.722 -7.592 1.00 0.00 C ATOM 996 CG GLU A 76 2.670 -0.292 -7.980 1.00 0.00 C ATOM 997 CD GLU A 76 3.920 0.493 -8.396 1.00 0.00 C ATOM 998 OE1 GLU A 76 4.788 -0.141 -8.974 1.00 0.00 O ATOM 999 OE2 GLU A 76 3.926 1.682 -8.121 1.00 0.00 O ATOM 0 H GLU A 76 3.933 -0.516 -5.299 1.00 0.00 H new ATOM 0 HA GLU A 76 1.574 -2.200 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.156 -1.844 -7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.613 -2.440 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.951 -0.315 -8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.180 0.200 -7.140 1.00 0.00 H new ATOM 1006 N VAL A 77 2.719 -4.307 -5.407 1.00 0.00 N ATOM 1007 CA VAL A 77 3.407 -5.553 -4.951 1.00 0.00 C ATOM 1008 C VAL A 77 3.226 -6.513 -6.124 1.00 0.00 C ATOM 1009 O VAL A 77 2.110 -6.754 -6.537 1.00 0.00 O ATOM 1010 CB VAL A 77 2.728 -6.088 -3.666 1.00 0.00 C ATOM 1011 CG1 VAL A 77 2.713 -4.973 -2.614 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.286 -6.495 -3.965 1.00 0.00 C ATOM 0 H VAL A 77 1.707 -4.384 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 77 4.458 -5.408 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 77 3.281 -6.954 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.237 -5.338 -1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.736 -4.669 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.156 -4.118 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.818 -6.870 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.732 -5.630 -4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.279 -7.276 -4.725 1.00 0.00 H new ATOM 1022 N ARG A 78 4.299 -7.057 -6.631 1.00 0.00 N ATOM 1023 CA ARG A 78 4.147 -7.938 -7.828 1.00 0.00 C ATOM 1024 C ARG A 78 4.327 -9.403 -7.461 1.00 0.00 C ATOM 1025 O ARG A 78 5.152 -10.094 -8.027 1.00 0.00 O ATOM 1026 CB ARG A 78 5.207 -7.542 -8.870 1.00 0.00 C ATOM 1027 CG ARG A 78 5.796 -6.170 -8.516 1.00 0.00 C ATOM 1028 CD ARG A 78 4.675 -5.127 -8.524 1.00 0.00 C ATOM 1029 NE ARG A 78 5.228 -3.853 -9.070 1.00 0.00 N ATOM 1030 CZ ARG A 78 5.258 -3.662 -10.361 1.00 0.00 C ATOM 1031 NH1 ARG A 78 5.294 -4.695 -11.157 1.00 0.00 N ATOM 1032 NH2 ARG A 78 5.259 -2.437 -10.817 1.00 0.00 N ATOM 0 H ARG A 78 5.250 -6.936 -6.282 1.00 0.00 H new ATOM 0 HA ARG A 78 3.143 -7.810 -8.231 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.998 -8.291 -8.900 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.760 -7.511 -9.864 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.269 -6.206 -7.535 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.570 -5.896 -9.233 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.840 -5.471 -9.134 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.291 -4.974 -7.515 1.00 0.00 H new ATOM 0 HE ARG A 78 5.581 -3.135 -8.437 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.298 -5.638 -10.769 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.318 -4.559 -12.168 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.237 -1.651 -10.167 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.282 -2.267 -11.822 1.00 0.00 H new ATOM 1046 N ASP A 79 3.548 -9.855 -6.520 1.00 0.00 N ATOM 1047 CA ASP A 79 3.708 -11.274 -6.120 1.00 0.00 C ATOM 1048 C ASP A 79 2.492 -11.796 -5.369 1.00 0.00 C ATOM 1049 O ASP A 79 2.101 -12.934 -5.536 1.00 0.00 O ATOM 1050 CB ASP A 79 4.957 -11.391 -5.236 1.00 0.00 C ATOM 1051 CG ASP A 79 5.491 -12.828 -5.268 1.00 0.00 C ATOM 1052 OD1 ASP A 79 4.802 -13.667 -5.827 1.00 0.00 O ATOM 1053 OD2 ASP A 79 6.568 -13.005 -4.722 1.00 0.00 O ATOM 0 H ASP A 79 2.831 -9.323 -6.026 1.00 0.00 H new ATOM 0 HA ASP A 79 3.813 -11.879 -7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.725 -10.701 -5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.715 -11.107 -4.212 1.00 0.00 H new ATOM 1058 N SER A 80 1.885 -10.949 -4.585 1.00 0.00 N ATOM 1059 CA SER A 80 0.723 -11.435 -3.792 1.00 0.00 C ATOM 1060 C SER A 80 1.213 -12.654 -3.004 1.00 0.00 C ATOM 1061 O SER A 80 1.059 -13.785 -3.421 1.00 0.00 O ATOM 1062 CB SER A 80 -0.410 -11.826 -4.744 1.00 0.00 C ATOM 1063 OG SER A 80 -0.765 -10.592 -5.350 1.00 0.00 O ATOM 0 H SER A 80 2.134 -9.968 -4.460 1.00 0.00 H new ATOM 0 HA SER A 80 0.342 -10.670 -3.116 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.081 -12.557 -5.482 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.250 -12.269 -4.209 1.00 0.00 H new ATOM 0 HG SER A 80 -1.464 -10.156 -4.820 1.00 0.00 H new ATOM 1069 N ILE A 81 1.822 -12.362 -1.889 1.00 0.00 N ATOM 1070 CA ILE A 81 2.383 -13.427 -1.006 1.00 0.00 C ATOM 1071 C ILE A 81 2.230 -12.913 0.428 1.00 0.00 C ATOM 1072 O ILE A 81 1.820 -11.788 0.611 1.00 0.00 O ATOM 1073 CB ILE A 81 3.864 -13.617 -1.368 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.616 -12.299 -1.117 1.00 0.00 C ATOM 1075 CG2 ILE A 81 3.965 -13.969 -2.854 1.00 0.00 C ATOM 1076 CD1 ILE A 81 6.121 -12.553 -1.238 1.00 0.00 C ATOM 0 H ILE A 81 1.958 -11.412 -1.544 1.00 0.00 H new ATOM 0 HA ILE A 81 1.877 -14.386 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 81 4.297 -14.412 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.303 -11.544 -1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.378 -11.912 -0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.012 -14.107 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.416 -14.890 -3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.540 -13.161 -3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.662 -11.623 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.425 -13.296 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.349 -12.921 -2.238 1.00 0.00 H new ATOM 1088 N PRO A 82 2.547 -13.706 1.417 1.00 0.00 N ATOM 1089 CA PRO A 82 2.048 -13.463 2.792 1.00 0.00 C ATOM 1090 C PRO A 82 2.116 -11.975 3.179 1.00 0.00 C ATOM 1091 O PRO A 82 1.320 -11.499 3.962 1.00 0.00 O ATOM 1092 CB PRO A 82 2.947 -14.326 3.683 1.00 0.00 C ATOM 1093 CG PRO A 82 3.599 -15.386 2.746 1.00 0.00 C ATOM 1094 CD PRO A 82 3.486 -14.849 1.305 1.00 0.00 C ATOM 0 HA PRO A 82 0.995 -13.724 2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.708 -13.719 4.173 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.368 -14.807 4.471 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.643 -15.548 3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.092 -16.347 2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.455 -14.532 0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.107 -15.611 0.624 1.00 0.00 H new ATOM 1102 N ALA A 83 3.059 -11.277 2.609 1.00 0.00 N ATOM 1103 CA ALA A 83 3.213 -9.822 2.912 1.00 0.00 C ATOM 1104 C ALA A 83 1.923 -9.012 2.696 1.00 0.00 C ATOM 1105 O ALA A 83 1.768 -7.933 3.230 1.00 0.00 O ATOM 1106 CB ALA A 83 4.305 -9.268 1.998 1.00 0.00 C ATOM 0 H ALA A 83 3.734 -11.652 1.943 1.00 0.00 H new ATOM 0 HA ALA A 83 3.467 -9.727 3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.441 -8.205 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.240 -9.795 2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.014 -9.409 0.957 1.00 0.00 H new ATOM 1112 N ASP A 84 1.049 -9.508 1.865 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.219 -8.772 1.599 1.00 0.00 C ATOM 1114 C ASP A 84 -1.408 -9.277 2.433 1.00 0.00 C ATOM 1115 O ASP A 84 -2.536 -9.262 1.981 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.524 -8.910 0.106 1.00 0.00 C ATOM 1117 CG ASP A 84 0.766 -8.627 -0.673 1.00 0.00 C ATOM 1118 OD1 ASP A 84 1.054 -7.453 -0.834 1.00 0.00 O ATOM 1119 OD2 ASP A 84 1.389 -9.607 -1.045 1.00 0.00 O ATOM 0 H ASP A 84 1.157 -10.388 1.360 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.080 -7.731 1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.891 -9.912 -0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.307 -8.211 -0.188 1.00 0.00 H new ATOM 1124 N SER A 85 -1.126 -9.813 3.591 1.00 0.00 N ATOM 1125 CA SER A 85 -2.230 -10.268 4.488 1.00 0.00 C ATOM 1126 C SER A 85 -2.519 -9.208 5.564 1.00 0.00 C ATOM 1127 O SER A 85 -2.152 -9.388 6.709 1.00 0.00 O ATOM 1128 CB SER A 85 -1.810 -11.574 5.163 1.00 0.00 C ATOM 1129 OG SER A 85 -0.624 -11.216 5.854 1.00 0.00 O ATOM 0 H SER A 85 -0.183 -9.955 3.954 1.00 0.00 H new ATOM 0 HA SER A 85 -3.133 -10.421 3.897 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.578 -11.940 5.844 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.628 -12.364 4.434 1.00 0.00 H new ATOM 0 HG SER A 85 -0.843 -10.596 6.580 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.161 -8.127 5.208 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.435 -7.093 6.251 1.00 0.00 C ATOM 1137 C GLY A 86 -4.048 -5.825 5.652 1.00 0.00 C ATOM 1138 O GLY A 86 -4.384 -5.769 4.485 1.00 0.00 O ATOM 0 H GLY A 86 -3.500 -7.917 4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.111 -7.504 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.507 -6.840 6.764 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.181 -4.807 6.460 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.782 -3.566 5.902 1.00 0.00 C ATOM 1144 C LEU A 87 -3.682 -2.620 5.428 1.00 0.00 C ATOM 1145 O LEU A 87 -2.791 -2.264 6.174 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.619 -2.874 6.986 1.00 0.00 C ATOM 1147 CG LEU A 87 -6.482 -3.920 7.704 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.225 -3.234 8.856 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -7.515 -4.478 6.719 1.00 0.00 C ATOM 0 H LEU A 87 -3.911 -4.779 7.443 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.418 -3.826 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.967 -2.372 7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.252 -2.108 6.539 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.854 -4.726 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.843 -3.965 9.377 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.503 -2.808 9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.858 -2.440 8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.132 -5.222 7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.147 -3.667 6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.001 -4.942 5.877 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.753 -2.261 4.176 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.748 -1.316 3.626 1.00 0.00 C ATOM 1163 C TYR A 88 -3.433 0.036 3.571 1.00 0.00 C ATOM 1164 O TYR A 88 -4.059 0.402 2.598 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.346 -1.744 2.223 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.169 -2.708 2.330 1.00 0.00 C ATOM 1167 CD1 TYR A 88 0.119 -2.229 2.449 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -1.381 -4.067 2.292 1.00 0.00 C ATOM 1169 CE1 TYR A 88 1.181 -3.103 2.522 1.00 0.00 C ATOM 1170 CE2 TYR A 88 -0.326 -4.948 2.356 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.971 -4.469 2.472 1.00 0.00 C ATOM 1172 OH TYR A 88 2.060 -5.315 2.518 1.00 0.00 O ATOM 0 H TYR A 88 -4.461 -2.581 3.515 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.847 -1.289 4.239 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.184 -2.224 1.719 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.071 -0.875 1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.295 -1.164 2.485 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.389 -4.447 2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.186 -2.719 2.619 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.507 -6.012 2.316 1.00 0.00 H new ATOM 0 HH TYR A 88 1.754 -6.234 2.667 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.295 0.750 4.646 1.00 0.00 N ATOM 1183 CA ALA A 89 -3.946 2.082 4.699 1.00 0.00 C ATOM 1184 C ALA A 89 -2.865 3.089 4.347 1.00 0.00 C ATOM 1185 O ALA A 89 -1.774 3.048 4.874 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.466 2.322 6.116 1.00 0.00 C ATOM 0 H ALA A 89 -2.770 0.477 5.477 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.789 2.163 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.947 3.299 6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.189 1.548 6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.634 2.290 6.819 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.180 3.999 3.478 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.138 4.970 3.079 1.00 0.00 C ATOM 1194 C CYS A 90 -2.379 6.295 3.765 1.00 0.00 C ATOM 1195 O CYS A 90 -3.497 6.766 3.819 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.203 5.171 1.582 1.00 0.00 C ATOM 1197 SG CYS A 90 -0.840 6.111 0.856 1.00 0.00 S ATOM 0 H CYS A 90 -4.092 4.112 3.036 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.158 4.589 3.367 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -2.240 4.192 1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.138 5.678 1.342 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.305 6.848 4.253 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.399 8.157 4.948 1.00 0.00 C ATOM 1204 C VAL A 91 -0.639 9.185 4.126 1.00 0.00 C ATOM 1205 O VAL A 91 0.550 9.071 3.911 1.00 0.00 O ATOM 1206 CB VAL A 91 -0.763 8.070 6.331 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.172 9.305 7.140 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.272 6.823 7.041 1.00 0.00 C ATOM 0 H VAL A 91 -0.368 6.449 4.200 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.447 8.437 5.057 1.00 0.00 H new ATOM 0 HB VAL A 91 0.322 8.023 6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.723 9.255 8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.827 10.205 6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.258 9.335 7.234 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.819 6.757 8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.356 6.878 7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.005 5.940 6.461 1.00 0.00 H new ATOM 1218 N THR A 92 -1.376 10.164 3.698 1.00 0.00 N ATOM 1219 CA THR A 92 -0.793 11.257 2.881 1.00 0.00 C ATOM 1220 C THR A 92 -0.596 12.426 3.832 1.00 0.00 C ATOM 1221 O THR A 92 -1.522 12.811 4.516 1.00 0.00 O ATOM 1222 CB THR A 92 -1.793 11.639 1.790 1.00 0.00 C ATOM 1223 OG1 THR A 92 -2.898 12.167 2.508 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.357 10.389 1.116 1.00 0.00 C ATOM 0 H THR A 92 -2.375 10.255 3.883 1.00 0.00 H new ATOM 0 HA THR A 92 0.145 10.968 2.408 1.00 0.00 H new ATOM 0 HB THR A 92 -1.327 12.296 1.055 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.669 12.232 3.459 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.067 10.682 0.342 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.544 9.820 0.666 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.863 9.772 1.859 1.00 0.00 H new ATOM 1232 N SER A 93 0.601 12.940 3.867 1.00 0.00 N ATOM 1233 CA SER A 93 0.889 14.069 4.788 1.00 0.00 C ATOM 1234 C SER A 93 1.455 15.272 4.043 1.00 0.00 C ATOM 1235 O SER A 93 2.250 15.133 3.131 1.00 0.00 O ATOM 1236 CB SER A 93 1.910 13.602 5.827 1.00 0.00 C ATOM 1237 OG SER A 93 1.188 12.656 6.602 1.00 0.00 O ATOM 0 H SER A 93 1.389 12.627 3.299 1.00 0.00 H new ATOM 0 HA SER A 93 -0.044 14.374 5.262 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.784 13.151 5.356 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.269 14.431 6.438 1.00 0.00 H new ATOM 0 HG SER A 93 1.770 12.295 7.303 1.00 0.00 H new ATOM 1243 N SER A 94 0.966 16.408 4.462 1.00 0.00 N ATOM 1244 CA SER A 94 1.396 17.711 3.890 1.00 0.00 C ATOM 1245 C SER A 94 1.721 18.632 5.068 1.00 0.00 C ATOM 1246 O SER A 94 1.154 18.491 6.135 1.00 0.00 O ATOM 1247 CB SER A 94 0.232 18.324 3.124 1.00 0.00 C ATOM 1248 OG SER A 94 -0.557 18.896 4.158 1.00 0.00 O ATOM 0 H SER A 94 0.265 16.486 5.199 1.00 0.00 H new ATOM 0 HA SER A 94 2.252 17.581 3.228 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.569 19.075 2.409 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.322 17.573 2.560 1.00 0.00 H new ATOM 0 HG SER A 94 -0.678 19.853 3.986 1.00 0.00 H new ATOM 1254 N PRO A 95 2.574 19.588 4.816 1.00 0.00 N ATOM 1255 CA PRO A 95 3.081 20.496 5.869 1.00 0.00 C ATOM 1256 C PRO A 95 1.949 21.147 6.673 1.00 0.00 C ATOM 1257 O PRO A 95 2.207 21.910 7.583 1.00 0.00 O ATOM 1258 CB PRO A 95 3.900 21.555 5.121 1.00 0.00 C ATOM 1259 CG PRO A 95 4.035 21.076 3.646 1.00 0.00 C ATOM 1260 CD PRO A 95 3.095 19.869 3.458 1.00 0.00 C ATOM 0 HA PRO A 95 3.675 19.951 6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.406 22.526 5.167 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.882 21.675 5.578 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.770 21.878 2.957 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.066 20.796 3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.287 20.100 2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.629 19.010 3.052 1.00 0.00 H new ATOM 1268 N SER A 96 0.724 20.841 6.333 1.00 0.00 N ATOM 1269 CA SER A 96 -0.409 21.445 7.084 1.00 0.00 C ATOM 1270 C SER A 96 -1.236 20.365 7.788 1.00 0.00 C ATOM 1271 O SER A 96 -1.676 20.559 8.905 1.00 0.00 O ATOM 1272 CB SER A 96 -1.297 22.204 6.095 1.00 0.00 C ATOM 1273 OG SER A 96 -1.676 21.213 5.150 1.00 0.00 O ATOM 0 H SER A 96 0.464 20.207 5.577 1.00 0.00 H new ATOM 0 HA SER A 96 -0.015 22.121 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.166 22.638 6.589 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.757 23.024 5.620 1.00 0.00 H new ATOM 0 HG SER A 96 -2.256 21.615 4.470 1.00 0.00 H new ATOM 1279 N GLY A 97 -1.438 19.250 7.134 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.259 18.187 7.790 1.00 0.00 C ATOM 1281 C GLY A 97 -2.035 16.801 7.181 1.00 0.00 C ATOM 1282 O GLY A 97 -1.122 16.595 6.406 1.00 0.00 O ATOM 0 H GLY A 97 -1.083 19.032 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.020 18.154 8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.314 18.448 7.709 1.00 0.00 H new ATOM 1286 N SER A 98 -2.879 15.878 7.562 1.00 0.00 N ATOM 1287 CA SER A 98 -2.757 14.491 7.026 1.00 0.00 C ATOM 1288 C SER A 98 -4.134 13.894 6.705 1.00 0.00 C ATOM 1289 O SER A 98 -5.122 14.215 7.333 1.00 0.00 O ATOM 1290 CB SER A 98 -2.064 13.620 8.077 1.00 0.00 C ATOM 1291 OG SER A 98 -0.794 14.236 8.238 1.00 0.00 O ATOM 0 H SER A 98 -3.645 16.024 8.219 1.00 0.00 H new ATOM 0 HA SER A 98 -2.177 14.522 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.622 13.601 9.013 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.969 12.587 7.742 1.00 0.00 H new ATOM 0 HG SER A 98 -0.127 13.754 7.706 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.150 13.032 5.723 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.423 12.369 5.311 1.00 0.00 C ATOM 1299 C ASP A 99 -5.135 10.887 5.059 1.00 0.00 C ATOM 1300 O ASP A 99 -4.051 10.538 4.639 1.00 0.00 O ATOM 1301 CB ASP A 99 -5.925 13.028 4.021 1.00 0.00 C ATOM 1302 CG ASP A 99 -7.278 12.423 3.631 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -7.254 11.295 3.167 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -8.257 13.126 3.822 1.00 0.00 O ATOM 0 H ASP A 99 -3.329 12.756 5.184 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.181 12.469 6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.024 14.104 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.203 12.878 3.219 1.00 0.00 H new ATOM 1309 N THR A 100 -6.103 10.043 5.292 1.00 0.00 N ATOM 1310 CA THR A 100 -5.836 8.593 5.073 1.00 0.00 C ATOM 1311 C THR A 100 -6.916 7.883 4.248 1.00 0.00 C ATOM 1312 O THR A 100 -8.088 8.204 4.294 1.00 0.00 O ATOM 1313 CB THR A 100 -5.710 7.928 6.442 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.637 8.620 7.065 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.198 6.489 6.316 1.00 0.00 C ATOM 0 H THR A 100 -7.040 10.284 5.615 1.00 0.00 H new ATOM 0 HA THR A 100 -4.917 8.508 4.493 1.00 0.00 H new ATOM 0 HB THR A 100 -6.670 7.944 6.957 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.487 8.253 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.119 6.043 7.307 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.893 5.907 5.710 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.217 6.492 5.840 1.00 0.00 H new ATOM 1323 N THR A 101 -6.439 6.919 3.510 1.00 0.00 N ATOM 1324 CA THR A 101 -7.305 6.075 2.627 1.00 0.00 C ATOM 1325 C THR A 101 -6.980 4.608 2.945 1.00 0.00 C ATOM 1326 O THR A 101 -5.819 4.267 2.977 1.00 0.00 O ATOM 1327 CB THR A 101 -6.933 6.393 1.169 1.00 0.00 C ATOM 1328 OG1 THR A 101 -5.729 7.140 1.260 1.00 0.00 O ATOM 1329 CG2 THR A 101 -7.930 7.377 0.551 1.00 0.00 C ATOM 0 H THR A 101 -5.450 6.671 3.480 1.00 0.00 H new ATOM 0 HA THR A 101 -8.367 6.265 2.783 1.00 0.00 H new ATOM 0 HB THR A 101 -6.890 5.473 0.587 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.425 7.381 0.360 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.644 7.585 -0.480 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.929 6.942 0.570 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.927 8.305 1.123 1.00 0.00 H new ATOM 1337 N TYR A 102 -7.952 3.750 3.139 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.567 2.346 3.498 1.00 0.00 C ATOM 1339 C TYR A 102 -7.790 1.279 2.421 1.00 0.00 C ATOM 1340 O TYR A 102 -8.896 0.942 2.058 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.340 1.916 4.742 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.342 3.045 5.764 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -9.115 4.166 5.558 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.577 2.948 6.903 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -9.122 5.188 6.485 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -7.580 3.968 7.833 1.00 0.00 C ATOM 1347 CZ TYR A 102 -8.353 5.096 7.629 1.00 0.00 C ATOM 1348 OH TYR A 102 -8.356 6.117 8.557 1.00 0.00 O ATOM 0 H TYR A 102 -8.951 3.945 3.069 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.489 2.395 3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.364 1.655 4.473 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.886 1.024 5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.719 4.246 4.666 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -6.971 2.070 7.070 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.731 6.064 6.316 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.976 3.885 8.724 1.00 0.00 H new ATOM 0 HH TYR A 102 -7.760 5.886 9.300 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.699 0.737 1.963 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.743 -0.339 0.943 1.00 0.00 C ATOM 1360 C PHE A 103 -6.522 -1.653 1.672 1.00 0.00 C ATOM 1361 O PHE A 103 -5.408 -2.000 2.006 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.592 -0.173 -0.045 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.649 1.213 -0.662 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.240 2.312 0.062 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -6.141 1.374 -1.938 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.331 3.573 -0.482 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -6.231 2.636 -2.488 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.831 3.737 -1.755 1.00 0.00 C ATOM 0 H PHE A 103 -5.760 1.002 2.260 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.694 -0.307 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.639 -0.317 0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.656 -0.932 -0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.847 2.183 1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.456 0.513 -2.508 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.011 4.432 0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.614 2.763 -3.490 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.910 4.727 -2.180 1.00 0.00 H new ATOM 1378 N SER A 104 -7.575 -2.369 1.927 1.00 0.00 N ATOM 1379 CA SER A 104 -7.349 -3.663 2.618 1.00 0.00 C ATOM 1380 C SER A 104 -6.860 -4.646 1.561 1.00 0.00 C ATOM 1381 O SER A 104 -7.465 -4.814 0.523 1.00 0.00 O ATOM 1382 CB SER A 104 -8.663 -4.163 3.224 1.00 0.00 C ATOM 1383 OG SER A 104 -9.668 -3.509 2.466 1.00 0.00 O ATOM 0 H SER A 104 -8.541 -2.131 1.700 1.00 0.00 H new ATOM 0 HA SER A 104 -6.622 -3.558 3.423 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.749 -5.247 3.148 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.735 -3.911 4.282 1.00 0.00 H new ATOM 0 HG SER A 104 -10.133 -2.858 3.032 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.736 -5.251 1.824 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.201 -6.222 0.830 1.00 0.00 C ATOM 1391 C VAL A 105 -4.951 -7.542 1.546 1.00 0.00 C ATOM 1392 O VAL A 105 -4.330 -7.605 2.588 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.901 -5.681 0.212 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -3.856 -4.159 0.371 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -2.689 -6.321 0.893 1.00 0.00 C ATOM 0 H VAL A 105 -5.175 -5.120 2.665 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.916 -6.372 0.021 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.874 -5.931 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.935 -3.775 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.712 -3.715 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.889 -3.903 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.774 -5.931 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.704 -6.086 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.725 -7.402 0.759 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.472 -8.576 0.961 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.314 -9.919 1.579 1.00 0.00 C ATOM 1407 C ASN A 106 -4.938 -10.965 0.537 1.00 0.00 C ATOM 1408 O ASN A 106 -5.605 -11.138 -0.463 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.640 -10.290 2.252 1.00 0.00 C ATOM 1410 CG ASN A 106 -6.985 -11.751 1.955 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -6.442 -12.666 2.541 1.00 0.00 O ATOM 1412 ND2 ASN A 106 -7.877 -12.008 1.037 1.00 0.00 N ATOM 0 H ASN A 106 -5.998 -8.553 0.087 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.509 -9.891 2.313 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.567 -10.136 3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.436 -9.639 1.891 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.116 -12.974 0.814 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.335 -11.242 0.543 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.828 -11.607 0.761 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.440 -12.665 -0.210 1.00 0.00 C ATOM 1421 C VAL A 107 -3.427 -14.050 0.438 1.00 0.00 C ATOM 1422 O VAL A 107 -2.909 -14.248 1.519 1.00 0.00 O ATOM 1423 CB VAL A 107 -2.062 -12.353 -0.776 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -1.031 -12.393 0.347 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -1.727 -13.440 -1.800 1.00 0.00 C ATOM 0 H VAL A 107 -3.192 -11.454 1.544 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.181 -12.677 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.051 -11.365 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.044 -12.170 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.289 -11.653 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.022 -13.385 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.743 -13.247 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.725 -14.414 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.474 -13.435 -2.594 1.00 0.00 H new ATOM 1435 N SER A 108 -4.027 -14.970 -0.264 1.00 0.00 N ATOM 1436 CA SER A 108 -4.087 -16.375 0.226 1.00 0.00 C ATOM 1437 C SER A 108 -4.378 -17.314 -0.944 1.00 0.00 C ATOM 1438 O SER A 108 -4.739 -16.881 -2.020 1.00 0.00 O ATOM 1439 CB SER A 108 -5.206 -16.495 1.265 1.00 0.00 C ATOM 1440 OG SER A 108 -5.268 -17.889 1.532 1.00 0.00 O ATOM 0 H SER A 108 -4.482 -14.808 -1.163 1.00 0.00 H new ATOM 0 HA SER A 108 -3.133 -16.647 0.677 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.979 -15.924 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.153 -16.118 0.879 1.00 0.00 H new ATOM 0 HG SER A 108 -5.966 -18.064 2.197 1.00 0.00 H new