USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 490 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 Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -107:sc= 1.33 USER MOD Single : A 24 ASN : amide:sc=-0.00035 X(o=-0.00035,f=0.35) USER MOD Single : A 32 SER OG : rot -82:sc= 1.23 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.739 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -45:sc= 0.688 USER MOD Single : A 46 GLN : amide:sc= -7.42! C(o=-7.4!,f=-12!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 18:sc= 0.437 USER MOD Single : A 57 ASN : amide:sc= -0.783 K(o=-0.78,f=-3.3!) USER MOD Single : A 74 HIS : no HD1:sc= -3.07! C(o=-3.1!,f=-3.9!) USER MOD Single : A 82 ASN : amide:sc= -1.54 K(o=-1.5,f=-5.1!) USER MOD Single : A 85 TYR OH : rot -22:sc= 1.06 USER MOD Single : A 88 ASN : amide:sc=-0.00471 K(o=-0.0047,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 2.504 -31.700 -6.218 1.00 71.15 N ATOM 195 CA GLU A 15 2.270 -33.108 -6.519 1.00 13.35 C ATOM 196 C GLU A 15 1.403 -33.756 -5.443 1.00 73.32 C ATOM 197 O GLU A 15 0.934 -33.088 -4.521 1.00 43.14 O ATOM 198 CB GLU A 15 3.600 -33.855 -6.636 1.00 74.13 C ATOM 199 CG GLU A 15 4.414 -33.460 -7.857 1.00 1.55 C ATOM 200 CD GLU A 15 5.123 -32.131 -7.679 1.00 41.11 C ATOM 201 OE1 GLU A 15 6.057 -32.063 -6.852 1.00 72.24 O ATOM 202 OE2 GLU A 15 4.745 -31.159 -8.366 1.00 75.30 O ATOM 0 HA GLU A 15 1.743 -33.168 -7.471 1.00 13.35 H new ATOM 0 HB2 GLU A 15 4.192 -33.669 -5.740 1.00 74.13 H new ATOM 0 HB3 GLU A 15 3.403 -34.927 -6.672 1.00 74.13 H new ATOM 0 HG2 GLU A 15 5.151 -34.236 -8.065 1.00 1.55 H new ATOM 0 HG3 GLU A 15 3.757 -33.404 -8.725 1.00 1.55 H new ATOM 209 N TYR A 16 1.193 -35.062 -5.569 1.00 2.12 N ATOM 210 CA TYR A 16 0.380 -35.801 -4.610 1.00 63.33 C ATOM 211 C TYR A 16 1.102 -37.061 -4.141 1.00 2.42 C ATOM 212 O TYR A 16 2.217 -37.349 -4.577 1.00 21.23 O ATOM 213 CB TYR A 16 -0.966 -36.174 -5.232 1.00 55.13 C ATOM 214 CG TYR A 16 -0.870 -36.586 -6.684 1.00 22.12 C ATOM 215 CD1 TYR A 16 -1.211 -35.703 -7.701 1.00 64.12 C ATOM 216 CD2 TYR A 16 -0.439 -37.859 -7.038 1.00 42.50 C ATOM 217 CE1 TYR A 16 -1.125 -36.075 -9.029 1.00 24.52 C ATOM 218 CE2 TYR A 16 -0.348 -38.239 -8.363 1.00 12.01 C ATOM 219 CZ TYR A 16 -0.692 -37.344 -9.355 1.00 34.25 C ATOM 220 OH TYR A 16 -0.605 -37.720 -10.675 1.00 40.24 O ATOM 0 H TYR A 16 1.574 -35.630 -6.325 1.00 2.12 H new ATOM 0 HA TYR A 16 0.209 -35.159 -3.746 1.00 63.33 H new ATOM 0 HB2 TYR A 16 -1.407 -36.990 -4.660 1.00 55.13 H new ATOM 0 HB3 TYR A 16 -1.643 -35.324 -5.148 1.00 55.13 H new ATOM 0 HD1 TYR A 16 -1.549 -34.709 -7.449 1.00 64.12 H new ATOM 0 HD2 TYR A 16 -0.171 -38.563 -6.264 1.00 42.50 H new ATOM 0 HE1 TYR A 16 -1.395 -35.377 -9.807 1.00 24.52 H new ATOM 0 HE2 TYR A 16 -0.009 -39.232 -8.621 1.00 12.01 H new ATOM 0 HH TYR A 16 -0.283 -38.644 -10.731 1.00 40.24 H new ATOM 230 N ILE A 17 0.458 -37.807 -3.250 1.00 13.40 N ATOM 231 CA ILE A 17 1.036 -39.036 -2.722 1.00 43.11 C ATOM 232 C ILE A 17 0.129 -40.231 -2.993 1.00 61.23 C ATOM 233 O ILE A 17 -1.053 -40.217 -2.649 1.00 23.22 O ATOM 234 CB ILE A 17 1.291 -38.933 -1.207 1.00 4.32 C ATOM 235 CG1 ILE A 17 1.553 -40.320 -0.616 1.00 13.31 C ATOM 236 CG2 ILE A 17 0.110 -38.270 -0.515 1.00 34.13 C ATOM 237 CD1 ILE A 17 1.940 -40.290 0.846 1.00 30.41 C ATOM 0 H ILE A 17 -0.465 -37.581 -2.879 1.00 13.40 H new ATOM 0 HA ILE A 17 1.988 -39.182 -3.233 1.00 43.11 H new ATOM 0 HB ILE A 17 2.175 -38.317 -1.043 1.00 4.32 H new ATOM 0 HG12 ILE A 17 0.658 -40.931 -0.734 1.00 13.31 H new ATOM 0 HG13 ILE A 17 2.347 -40.804 -1.184 1.00 13.31 H new ATOM 0 HG21 ILE A 17 0.305 -38.204 0.555 1.00 34.13 H new ATOM 0 HG22 ILE A 17 -0.033 -37.268 -0.920 1.00 34.13 H new ATOM 0 HG23 ILE A 17 -0.790 -38.862 -0.684 1.00 34.13 H new ATOM 0 HD11 ILE A 17 2.110 -41.307 1.198 1.00 30.41 H new ATOM 0 HD12 ILE A 17 2.852 -39.706 0.969 1.00 30.41 H new ATOM 0 HD13 ILE A 17 1.137 -39.835 1.426 1.00 30.41 H new ATOM 249 N ARG A 18 0.691 -41.265 -3.611 1.00 73.13 N ATOM 250 CA ARG A 18 -0.067 -42.469 -3.928 1.00 73.42 C ATOM 251 C ARG A 18 0.525 -43.686 -3.223 1.00 60.00 C ATOM 252 O ARG A 18 1.574 -44.196 -3.617 1.00 40.33 O ATOM 253 CB ARG A 18 -0.087 -42.702 -5.440 1.00 61.31 C ATOM 254 CG ARG A 18 -1.342 -42.180 -6.121 1.00 23.34 C ATOM 255 CD ARG A 18 -1.746 -43.059 -7.294 1.00 22.10 C ATOM 256 NE ARG A 18 -1.644 -42.352 -8.568 1.00 23.21 N ATOM 257 CZ ARG A 18 -2.253 -42.749 -9.680 1.00 21.25 C ATOM 258 NH1 ARG A 18 -3.004 -43.842 -9.674 1.00 12.42 N ATOM 259 NH2 ARG A 18 -2.112 -42.052 -10.800 1.00 24.50 N ATOM 0 H ARG A 18 1.668 -41.293 -3.902 1.00 73.13 H new ATOM 0 HA ARG A 18 -1.089 -42.328 -3.575 1.00 73.42 H new ATOM 0 HB2 ARG A 18 0.784 -42.221 -5.885 1.00 61.31 H new ATOM 0 HB3 ARG A 18 0.004 -43.770 -5.636 1.00 61.31 H new ATOM 0 HG2 ARG A 18 -2.158 -42.137 -5.399 1.00 23.34 H new ATOM 0 HG3 ARG A 18 -1.171 -41.162 -6.470 1.00 23.34 H new ATOM 0 HD2 ARG A 18 -1.111 -43.945 -7.319 1.00 22.10 H new ATOM 0 HD3 ARG A 18 -2.770 -43.405 -7.152 1.00 22.10 H new ATOM 0 HE ARG A 18 -1.074 -41.507 -8.606 1.00 23.21 H new ATOM 0 HH11 ARG A 18 -3.115 -44.380 -8.814 1.00 12.42 H new ATOM 0 HH12 ARG A 18 -3.471 -44.145 -10.529 1.00 12.42 H new ATOM 0 HH21 ARG A 18 -1.536 -41.211 -10.808 1.00 24.50 H new ATOM 0 HH22 ARG A 18 -2.580 -42.358 -11.653 1.00 24.50 H new ATOM 273 N VAL A 19 -0.154 -44.146 -2.177 1.00 72.42 N ATOM 274 CA VAL A 19 0.304 -45.303 -1.417 1.00 70.11 C ATOM 275 C VAL A 19 -0.872 -46.084 -0.842 1.00 54.01 C ATOM 276 O VAL A 19 -1.924 -45.516 -0.545 1.00 40.10 O ATOM 277 CB VAL A 19 1.239 -44.884 -0.267 1.00 62.41 C ATOM 278 CG1 VAL A 19 2.602 -44.480 -0.808 1.00 3.34 C ATOM 279 CG2 VAL A 19 0.619 -43.753 0.539 1.00 72.23 C ATOM 0 H VAL A 19 -1.023 -43.735 -1.837 1.00 72.42 H new ATOM 0 HA VAL A 19 0.854 -45.939 -2.110 1.00 70.11 H new ATOM 0 HB VAL A 19 1.376 -45.738 0.396 1.00 62.41 H new ATOM 0 HG11 VAL A 19 3.249 -44.187 0.019 1.00 3.34 H new ATOM 0 HG12 VAL A 19 3.048 -45.322 -1.337 1.00 3.34 H new ATOM 0 HG13 VAL A 19 2.487 -43.641 -1.494 1.00 3.34 H new ATOM 0 HG21 VAL A 19 1.293 -43.470 1.347 1.00 72.23 H new ATOM 0 HG22 VAL A 19 0.450 -42.894 -0.110 1.00 72.23 H new ATOM 0 HG23 VAL A 19 -0.331 -44.084 0.958 1.00 72.23 H new ATOM 289 N THR A 20 -0.689 -47.391 -0.687 1.00 25.55 N ATOM 290 CA THR A 20 -1.734 -48.252 -0.148 1.00 13.45 C ATOM 291 C THR A 20 -1.279 -48.930 1.140 1.00 54.33 C ATOM 292 O THR A 20 -0.105 -49.262 1.295 1.00 42.13 O ATOM 293 CB THR A 20 -2.152 -49.331 -1.163 1.00 75.52 C ATOM 294 OG1 THR A 20 -2.847 -50.390 -0.495 1.00 23.45 O ATOM 295 CG2 THR A 20 -0.938 -49.892 -1.887 1.00 60.54 C ATOM 0 H THR A 20 0.175 -47.877 -0.928 1.00 25.55 H new ATOM 0 HA THR A 20 -2.591 -47.613 0.065 1.00 13.45 H new ATOM 0 HB THR A 20 -2.813 -48.871 -1.898 1.00 75.52 H new ATOM 0 HG1 THR A 20 -2.272 -51.183 -0.452 1.00 23.45 H new ATOM 0 HG21 THR A 20 -1.258 -50.653 -2.599 1.00 60.54 H new ATOM 0 HG22 THR A 20 -0.428 -49.089 -2.419 1.00 60.54 H new ATOM 0 HG23 THR A 20 -0.256 -50.337 -1.163 1.00 60.54 H new ATOM 303 N GLU A 21 -2.217 -49.133 2.060 1.00 53.43 N ATOM 304 CA GLU A 21 -1.911 -49.772 3.334 1.00 2.30 C ATOM 305 C GLU A 21 -1.691 -51.271 3.152 1.00 54.20 C ATOM 306 O GLU A 21 -0.699 -51.825 3.624 1.00 64.54 O ATOM 307 CB GLU A 21 -3.041 -49.529 4.337 1.00 42.43 C ATOM 308 CG GLU A 21 -2.633 -49.762 5.782 1.00 71.23 C ATOM 309 CD GLU A 21 -3.390 -50.909 6.423 1.00 23.02 C ATOM 310 OE1 GLU A 21 -2.869 -52.044 6.409 1.00 71.25 O ATOM 311 OE2 GLU A 21 -4.502 -50.672 6.939 1.00 3.13 O ATOM 0 H GLU A 21 -3.194 -48.864 1.947 1.00 53.43 H new ATOM 0 HA GLU A 21 -0.992 -49.332 3.720 1.00 2.30 H new ATOM 0 HB2 GLU A 21 -3.397 -48.504 4.229 1.00 42.43 H new ATOM 0 HB3 GLU A 21 -3.878 -50.184 4.094 1.00 42.43 H new ATOM 0 HG2 GLU A 21 -1.564 -49.968 5.825 1.00 71.23 H new ATOM 0 HG3 GLU A 21 -2.806 -48.852 6.356 1.00 71.23 H new ATOM 318 N ASP A 22 -2.625 -51.920 2.466 1.00 71.15 N ATOM 319 CA ASP A 22 -2.535 -53.355 2.220 1.00 2.21 C ATOM 320 C ASP A 22 -1.988 -53.634 0.823 1.00 12.24 C ATOM 321 O ASP A 22 -2.254 -52.887 -0.117 1.00 42.44 O ATOM 322 CB ASP A 22 -3.907 -54.009 2.384 1.00 33.32 C ATOM 323 CG ASP A 22 -3.990 -54.878 3.624 1.00 61.21 C ATOM 324 OD1 ASP A 22 -3.812 -56.108 3.500 1.00 61.23 O ATOM 325 OD2 ASP A 22 -4.232 -54.328 4.718 1.00 24.14 O ATOM 0 H ASP A 22 -3.453 -51.475 2.070 1.00 71.15 H new ATOM 0 HA ASP A 22 -1.848 -53.782 2.951 1.00 2.21 H new ATOM 0 HB2 ASP A 22 -4.672 -53.234 2.435 1.00 33.32 H new ATOM 0 HB3 ASP A 22 -4.125 -54.615 1.504 1.00 33.32 H new ATOM 330 N GLU A 23 -1.223 -54.713 0.698 1.00 62.53 N ATOM 331 CA GLU A 23 -0.638 -55.089 -0.584 1.00 64.00 C ATOM 332 C GLU A 23 -1.724 -55.437 -1.597 1.00 73.12 C ATOM 333 O GLU A 23 -1.584 -55.171 -2.790 1.00 2.31 O ATOM 334 CB GLU A 23 0.311 -56.277 -0.408 1.00 53.03 C ATOM 335 CG GLU A 23 -0.393 -57.564 -0.011 1.00 1.20 C ATOM 336 CD GLU A 23 0.478 -58.465 0.844 1.00 55.44 C ATOM 337 OE1 GLU A 23 0.551 -58.229 2.068 1.00 63.40 O ATOM 338 OE2 GLU A 23 1.085 -59.404 0.289 1.00 52.04 O ATOM 0 H GLU A 23 -0.994 -55.342 1.468 1.00 62.53 H new ATOM 0 HA GLU A 23 -0.074 -54.236 -0.961 1.00 64.00 H new ATOM 0 HB2 GLU A 23 0.851 -56.441 -1.340 1.00 53.03 H new ATOM 0 HB3 GLU A 23 1.053 -56.029 0.351 1.00 53.03 H new ATOM 0 HG2 GLU A 23 -1.305 -57.322 0.535 1.00 1.20 H new ATOM 0 HG3 GLU A 23 -0.693 -58.102 -0.910 1.00 1.20 H new ATOM 345 N ASN A 24 -2.808 -56.035 -1.112 1.00 63.02 N ATOM 346 CA ASN A 24 -3.918 -56.421 -1.975 1.00 34.22 C ATOM 347 C ASN A 24 -4.780 -55.212 -2.326 1.00 61.15 C ATOM 348 O ASN A 24 -5.418 -55.177 -3.379 1.00 1.42 O ATOM 349 CB ASN A 24 -4.774 -57.490 -1.292 1.00 12.12 C ATOM 350 CG ASN A 24 -5.500 -58.373 -2.288 1.00 60.21 C ATOM 351 OD1 ASN A 24 -5.860 -57.931 -3.379 1.00 72.22 O ATOM 352 ND2 ASN A 24 -5.718 -59.629 -1.916 1.00 33.11 N ATOM 0 H ASN A 24 -2.941 -56.262 -0.127 1.00 63.02 H new ATOM 0 HA ASN A 24 -3.504 -56.830 -2.897 1.00 34.22 H new ATOM 0 HB2 ASN A 24 -4.140 -58.109 -0.657 1.00 12.12 H new ATOM 0 HB3 ASN A 24 -5.502 -57.007 -0.641 1.00 12.12 H new ATOM 0 HD21 ASN A 24 -6.202 -60.270 -2.545 1.00 33.11 H new ATOM 0 HD22 ASN A 24 -5.402 -59.952 -1.002 1.00 33.11 H new ATOM 359 N ASP A 25 -4.793 -54.224 -1.439 1.00 44.31 N ATOM 360 CA ASP A 25 -5.574 -53.012 -1.656 1.00 11.41 C ATOM 361 C ASP A 25 -4.957 -52.157 -2.758 1.00 43.05 C ATOM 362 O ASP A 25 -3.763 -52.259 -3.040 1.00 54.04 O ATOM 363 CB ASP A 25 -5.671 -52.203 -0.361 1.00 71.40 C ATOM 364 CG ASP A 25 -6.876 -52.590 0.474 1.00 53.34 C ATOM 365 OD1 ASP A 25 -7.289 -51.780 1.331 1.00 71.14 O ATOM 366 OD2 ASP A 25 -7.407 -53.701 0.269 1.00 32.14 O ATOM 0 H ASP A 25 -4.271 -54.238 -0.563 1.00 44.31 H new ATOM 0 HA ASP A 25 -6.576 -53.307 -1.968 1.00 11.41 H new ATOM 0 HB2 ASP A 25 -4.764 -52.351 0.225 1.00 71.40 H new ATOM 0 HB3 ASP A 25 -5.725 -51.141 -0.602 1.00 71.40 H new ATOM 371 N GLU A 26 -5.779 -51.316 -3.379 1.00 4.03 N ATOM 372 CA GLU A 26 -5.313 -50.446 -4.452 1.00 4.53 C ATOM 373 C GLU A 26 -4.632 -49.202 -3.887 1.00 24.22 C ATOM 374 O GLU A 26 -4.920 -48.756 -2.776 1.00 70.21 O ATOM 375 CB GLU A 26 -6.481 -50.036 -5.351 1.00 34.45 C ATOM 376 CG GLU A 26 -6.544 -50.809 -6.657 1.00 62.13 C ATOM 377 CD GLU A 26 -7.392 -50.116 -7.705 1.00 55.42 C ATOM 378 OE1 GLU A 26 -8.607 -49.949 -7.468 1.00 54.04 O ATOM 379 OE2 GLU A 26 -6.843 -49.740 -8.761 1.00 45.13 O ATOM 0 H GLU A 26 -6.770 -51.219 -3.157 1.00 4.03 H new ATOM 0 HA GLU A 26 -4.585 -51.001 -5.044 1.00 4.53 H new ATOM 0 HB2 GLU A 26 -7.415 -50.180 -4.808 1.00 34.45 H new ATOM 0 HB3 GLU A 26 -6.402 -48.972 -5.572 1.00 34.45 H new ATOM 0 HG2 GLU A 26 -5.534 -50.944 -7.044 1.00 62.13 H new ATOM 0 HG3 GLU A 26 -6.948 -51.803 -6.467 1.00 62.13 H new ATOM 386 N PRO A 27 -3.705 -48.629 -4.669 1.00 10.32 N ATOM 387 CA PRO A 27 -2.963 -47.429 -4.268 1.00 73.53 C ATOM 388 C PRO A 27 -3.846 -46.186 -4.235 1.00 23.32 C ATOM 389 O PRO A 27 -4.161 -45.609 -5.276 1.00 62.41 O ATOM 390 CB PRO A 27 -1.892 -47.296 -5.354 1.00 12.24 C ATOM 391 CG PRO A 27 -2.470 -47.982 -6.543 1.00 14.40 C ATOM 392 CD PRO A 27 -3.310 -49.107 -6.005 1.00 14.44 C ATOM 0 HA PRO A 27 -2.559 -47.517 -3.260 1.00 73.53 H new ATOM 0 HB2 PRO A 27 -1.673 -46.250 -5.568 1.00 12.24 H new ATOM 0 HB3 PRO A 27 -0.956 -47.761 -5.045 1.00 12.24 H new ATOM 0 HG2 PRO A 27 -3.073 -47.294 -7.136 1.00 14.40 H new ATOM 0 HG3 PRO A 27 -1.683 -48.360 -7.196 1.00 14.40 H new ATOM 0 HD2 PRO A 27 -4.178 -49.298 -6.636 1.00 14.44 H new ATOM 0 HD3 PRO A 27 -2.746 -50.038 -5.948 1.00 14.44 H new ATOM 400 N ILE A 28 -4.241 -45.779 -3.033 1.00 43.04 N ATOM 401 CA ILE A 28 -5.085 -44.603 -2.866 1.00 35.05 C ATOM 402 C ILE A 28 -4.291 -43.320 -3.082 1.00 4.34 C ATOM 403 O ILE A 28 -3.197 -43.157 -2.541 1.00 34.23 O ATOM 404 CB ILE A 28 -5.728 -44.566 -1.466 1.00 63.32 C ATOM 405 CG1 ILE A 28 -6.524 -43.273 -1.280 1.00 44.22 C ATOM 406 CG2 ILE A 28 -4.660 -44.697 -0.390 1.00 34.30 C ATOM 407 CD1 ILE A 28 -7.608 -43.076 -2.316 1.00 71.42 C ATOM 0 H ILE A 28 -3.990 -46.246 -2.162 1.00 43.04 H new ATOM 0 HA ILE A 28 -5.872 -44.671 -3.617 1.00 35.05 H new ATOM 0 HB ILE A 28 -6.414 -45.408 -1.375 1.00 63.32 H new ATOM 0 HG12 ILE A 28 -6.976 -43.274 -0.288 1.00 44.22 H new ATOM 0 HG13 ILE A 28 -5.839 -42.426 -1.317 1.00 44.22 H new ATOM 0 HG21 ILE A 28 -5.129 -44.669 0.594 1.00 34.30 H new ATOM 0 HG22 ILE A 28 -4.133 -45.643 -0.514 1.00 34.30 H new ATOM 0 HG23 ILE A 28 -3.952 -43.873 -0.478 1.00 34.30 H new ATOM 0 HD11 ILE A 28 -8.131 -42.140 -2.122 1.00 71.42 H new ATOM 0 HD12 ILE A 28 -7.160 -43.043 -3.309 1.00 71.42 H new ATOM 0 HD13 ILE A 28 -8.315 -43.904 -2.265 1.00 71.42 H new ATOM 419 N GLU A 29 -4.849 -42.411 -3.875 1.00 10.44 N ATOM 420 CA GLU A 29 -4.192 -41.141 -4.161 1.00 1.31 C ATOM 421 C GLU A 29 -4.765 -40.024 -3.293 1.00 42.21 C ATOM 422 O GLU A 29 -5.975 -39.796 -3.275 1.00 62.32 O ATOM 423 CB GLU A 29 -4.347 -40.783 -5.640 1.00 55.24 C ATOM 424 CG GLU A 29 -5.794 -40.686 -6.094 1.00 53.52 C ATOM 425 CD GLU A 29 -6.194 -39.272 -6.470 1.00 50.02 C ATOM 426 OE1 GLU A 29 -6.669 -39.073 -7.608 1.00 34.30 O ATOM 427 OE2 GLU A 29 -6.032 -38.365 -5.628 1.00 4.13 O ATOM 0 H GLU A 29 -5.754 -42.530 -4.331 1.00 10.44 H new ATOM 0 HA GLU A 29 -3.132 -41.250 -3.930 1.00 1.31 H new ATOM 0 HB2 GLU A 29 -3.851 -39.831 -5.829 1.00 55.24 H new ATOM 0 HB3 GLU A 29 -3.835 -41.534 -6.242 1.00 55.24 H new ATOM 0 HG2 GLU A 29 -5.947 -41.343 -6.950 1.00 53.52 H new ATOM 0 HG3 GLU A 29 -6.446 -41.044 -5.297 1.00 53.52 H new ATOM 434 N ILE A 30 -3.887 -39.331 -2.575 1.00 71.31 N ATOM 435 CA ILE A 30 -4.305 -38.238 -1.706 1.00 21.41 C ATOM 436 C ILE A 30 -3.510 -36.970 -1.997 1.00 11.02 C ATOM 437 O ILE A 30 -2.390 -37.013 -2.505 1.00 44.42 O ATOM 438 CB ILE A 30 -4.138 -38.606 -0.220 1.00 2.14 C ATOM 439 CG1 ILE A 30 -3.043 -39.661 -0.053 1.00 25.14 C ATOM 440 CG2 ILE A 30 -5.455 -39.107 0.354 1.00 52.35 C ATOM 441 CD1 ILE A 30 -2.324 -39.581 1.276 1.00 32.42 C ATOM 0 H ILE A 30 -2.882 -39.507 -2.578 1.00 71.31 H new ATOM 0 HA ILE A 30 -5.360 -38.057 -1.911 1.00 21.41 H new ATOM 0 HB ILE A 30 -3.842 -37.712 0.329 1.00 2.14 H new ATOM 0 HG12 ILE A 30 -3.485 -40.652 -0.159 1.00 25.14 H new ATOM 0 HG13 ILE A 30 -2.316 -39.549 -0.857 1.00 25.14 H new ATOM 0 HG21 ILE A 30 -5.320 -39.363 1.405 1.00 52.35 H new ATOM 0 HG22 ILE A 30 -6.211 -38.327 0.265 1.00 52.35 H new ATOM 0 HG23 ILE A 30 -5.779 -39.991 -0.196 1.00 52.35 H new ATOM 0 HD11 ILE A 30 -1.562 -40.358 1.325 1.00 32.42 H new ATOM 0 HD12 ILE A 30 -1.852 -38.603 1.376 1.00 32.42 H new ATOM 0 HD13 ILE A 30 -3.039 -39.723 2.086 1.00 32.42 H new ATOM 453 N PRO A 31 -4.101 -35.812 -1.666 1.00 32.33 N ATOM 454 CA PRO A 31 -3.465 -34.509 -1.880 1.00 72.11 C ATOM 455 C PRO A 31 -2.279 -34.283 -0.949 1.00 40.20 C ATOM 456 O PRO A 31 -2.296 -34.704 0.207 1.00 12.05 O ATOM 457 CB PRO A 31 -4.585 -33.513 -1.571 1.00 13.30 C ATOM 458 CG PRO A 31 -5.496 -34.242 -0.644 1.00 43.31 C ATOM 459 CD PRO A 31 -5.436 -35.687 -1.056 1.00 43.41 C ATOM 0 HA PRO A 31 -3.058 -34.415 -2.887 1.00 72.11 H new ATOM 0 HB2 PRO A 31 -4.193 -32.607 -1.109 1.00 13.30 H new ATOM 0 HB3 PRO A 31 -5.105 -33.208 -2.479 1.00 13.30 H new ATOM 0 HG2 PRO A 31 -5.180 -34.118 0.392 1.00 43.31 H new ATOM 0 HG3 PRO A 31 -6.514 -33.858 -0.715 1.00 43.31 H new ATOM 0 HD2 PRO A 31 -5.552 -36.354 -0.201 1.00 43.41 H new ATOM 0 HD3 PRO A 31 -6.226 -35.936 -1.764 1.00 43.41 H new ATOM 467 N SER A 32 -1.250 -33.615 -1.461 1.00 10.33 N ATOM 468 CA SER A 32 -0.053 -33.335 -0.675 1.00 75.43 C ATOM 469 C SER A 32 0.286 -31.848 -0.712 1.00 73.35 C ATOM 470 O SER A 32 -0.184 -31.116 -1.582 1.00 51.24 O ATOM 471 CB SER A 32 1.129 -34.153 -1.199 1.00 54.05 C ATOM 472 OG SER A 32 1.894 -33.405 -2.129 1.00 33.32 O ATOM 0 H SER A 32 -1.221 -33.258 -2.416 1.00 10.33 H new ATOM 0 HA SER A 32 -0.252 -33.618 0.359 1.00 75.43 H new ATOM 0 HB2 SER A 32 1.761 -34.459 -0.366 1.00 54.05 H new ATOM 0 HB3 SER A 32 0.763 -35.064 -1.673 1.00 54.05 H new ATOM 0 HG SER A 32 1.467 -33.445 -3.010 1.00 33.32 H new ATOM 478 N GLU A 33 1.105 -31.411 0.239 1.00 51.33 N ATOM 479 CA GLU A 33 1.507 -30.011 0.315 1.00 15.04 C ATOM 480 C GLU A 33 2.334 -29.615 -0.904 1.00 4.12 C ATOM 481 O GLU A 33 2.840 -30.472 -1.629 1.00 40.41 O ATOM 482 CB GLU A 33 2.308 -29.757 1.594 1.00 54.40 C ATOM 483 CG GLU A 33 1.770 -28.608 2.431 1.00 50.24 C ATOM 484 CD GLU A 33 0.369 -28.869 2.949 1.00 22.31 C ATOM 485 OE1 GLU A 33 -0.003 -30.054 3.080 1.00 25.51 O ATOM 486 OE2 GLU A 33 -0.355 -27.890 3.224 1.00 41.14 O ATOM 0 H GLU A 33 1.503 -32.005 0.967 1.00 51.33 H new ATOM 0 HA GLU A 33 0.604 -29.400 0.333 1.00 15.04 H new ATOM 0 HB2 GLU A 33 2.311 -30.665 2.197 1.00 54.40 H new ATOM 0 HB3 GLU A 33 3.344 -29.548 1.328 1.00 54.40 H new ATOM 0 HG2 GLU A 33 2.438 -28.434 3.274 1.00 50.24 H new ATOM 0 HG3 GLU A 33 1.768 -27.697 1.832 1.00 50.24 H new ATOM 493 N ASP A 34 2.467 -28.311 -1.123 1.00 25.42 N ATOM 494 CA ASP A 34 3.234 -27.800 -2.253 1.00 71.44 C ATOM 495 C ASP A 34 4.712 -28.151 -2.111 1.00 13.01 C ATOM 496 O ASP A 34 5.390 -28.435 -3.098 1.00 45.20 O ATOM 497 CB ASP A 34 3.065 -26.285 -2.368 1.00 3.42 C ATOM 498 CG ASP A 34 3.110 -25.804 -3.805 1.00 13.00 C ATOM 499 OD1 ASP A 34 2.034 -25.506 -4.365 1.00 13.22 O ATOM 500 OD2 ASP A 34 4.220 -25.725 -4.370 1.00 25.23 O ATOM 0 H ASP A 34 2.054 -27.589 -0.533 1.00 25.42 H new ATOM 0 HA ASP A 34 2.854 -28.270 -3.160 1.00 71.44 H new ATOM 0 HB2 ASP A 34 2.115 -25.993 -1.920 1.00 3.42 H new ATOM 0 HB3 ASP A 34 3.851 -25.790 -1.798 1.00 3.42 H new ATOM 505 N ASP A 35 5.204 -28.128 -0.877 1.00 75.02 N ATOM 506 CA ASP A 35 6.601 -28.443 -0.605 1.00 61.42 C ATOM 507 C ASP A 35 6.914 -29.889 -0.977 1.00 22.42 C ATOM 508 O ASP A 35 8.073 -30.254 -1.170 1.00 60.41 O ATOM 509 CB ASP A 35 6.923 -28.202 0.870 1.00 12.15 C ATOM 510 CG ASP A 35 8.302 -27.606 1.072 1.00 23.44 C ATOM 511 OD1 ASP A 35 8.393 -26.495 1.636 1.00 33.51 O ATOM 512 OD2 ASP A 35 9.292 -28.252 0.668 1.00 54.35 O ATOM 0 H ASP A 35 4.656 -27.894 -0.049 1.00 75.02 H new ATOM 0 HA ASP A 35 7.221 -27.787 -1.216 1.00 61.42 H new ATOM 0 HB2 ASP A 35 6.175 -27.534 1.297 1.00 12.15 H new ATOM 0 HB3 ASP A 35 6.855 -29.145 1.412 1.00 12.15 H new ATOM 517 N GLY A 36 5.872 -30.709 -1.074 1.00 72.30 N ATOM 518 CA GLY A 36 6.057 -32.106 -1.421 1.00 33.32 C ATOM 519 C GLY A 36 5.593 -33.043 -0.322 1.00 44.54 C ATOM 520 O GLY A 36 5.156 -34.162 -0.593 1.00 1.34 O ATOM 0 H GLY A 36 4.903 -30.431 -0.918 1.00 72.30 H new ATOM 0 HA2 GLY A 36 5.508 -32.325 -2.337 1.00 33.32 H new ATOM 0 HA3 GLY A 36 7.111 -32.289 -1.629 1.00 33.32 H new ATOM 524 N THR A 37 5.690 -32.586 0.922 1.00 1.25 N ATOM 525 CA THR A 37 5.280 -33.391 2.066 1.00 63.10 C ATOM 526 C THR A 37 3.772 -33.611 2.071 1.00 31.13 C ATOM 527 O THR A 37 3.083 -33.283 1.105 1.00 22.20 O ATOM 528 CB THR A 37 5.696 -32.732 3.395 1.00 63.42 C ATOM 529 OG1 THR A 37 4.918 -31.552 3.621 1.00 0.11 O ATOM 530 CG2 THR A 37 7.175 -32.376 3.383 1.00 62.33 C ATOM 0 H THR A 37 6.049 -31.662 1.163 1.00 1.25 H new ATOM 0 HA THR A 37 5.784 -34.353 1.973 1.00 63.10 H new ATOM 0 HB THR A 37 5.517 -33.445 4.200 1.00 63.42 H new ATOM 0 HG1 THR A 37 5.490 -30.850 3.996 1.00 0.11 H new ATOM 0 HG21 THR A 37 7.445 -31.912 4.332 1.00 62.33 H new ATOM 0 HG22 THR A 37 7.766 -33.281 3.240 1.00 62.33 H new ATOM 0 HG23 THR A 37 7.375 -31.680 2.569 1.00 62.33 H new ATOM 538 N VAL A 38 3.264 -34.168 3.166 1.00 15.10 N ATOM 539 CA VAL A 38 1.835 -34.430 3.298 1.00 64.13 C ATOM 540 C VAL A 38 1.343 -34.097 4.701 1.00 15.53 C ATOM 541 O VAL A 38 1.958 -34.483 5.696 1.00 44.23 O ATOM 542 CB VAL A 38 1.504 -35.901 2.985 1.00 33.42 C ATOM 543 CG1 VAL A 38 0.063 -36.215 3.358 1.00 13.11 C ATOM 544 CG2 VAL A 38 1.761 -36.205 1.517 1.00 42.21 C ATOM 0 H VAL A 38 3.820 -34.446 3.974 1.00 15.10 H new ATOM 0 HA VAL A 38 1.327 -33.789 2.577 1.00 64.13 H new ATOM 0 HB VAL A 38 2.156 -36.537 3.583 1.00 33.42 H new ATOM 0 HG11 VAL A 38 -0.153 -37.259 3.130 1.00 13.11 H new ATOM 0 HG12 VAL A 38 -0.084 -36.039 4.424 1.00 13.11 H new ATOM 0 HG13 VAL A 38 -0.609 -35.573 2.788 1.00 13.11 H new ATOM 0 HG21 VAL A 38 1.522 -37.249 1.314 1.00 42.21 H new ATOM 0 HG22 VAL A 38 1.136 -35.562 0.897 1.00 42.21 H new ATOM 0 HG23 VAL A 38 2.810 -36.022 1.286 1.00 42.21 H new ATOM 554 N LEU A 39 0.228 -33.377 4.776 1.00 61.45 N ATOM 555 CA LEU A 39 -0.349 -32.991 6.058 1.00 34.44 C ATOM 556 C LEU A 39 -0.920 -34.205 6.786 1.00 43.31 C ATOM 557 O LEU A 39 -1.613 -35.030 6.190 1.00 60.21 O ATOM 558 CB LEU A 39 -1.445 -31.944 5.852 1.00 34.43 C ATOM 559 CG LEU A 39 -1.442 -30.768 6.829 1.00 44.44 C ATOM 560 CD1 LEU A 39 -0.141 -29.988 6.719 1.00 3.53 C ATOM 561 CD2 LEU A 39 -2.634 -29.858 6.572 1.00 12.11 C ATOM 0 H LEU A 39 -0.294 -33.049 3.963 1.00 61.45 H new ATOM 0 HA LEU A 39 0.444 -32.562 6.671 1.00 34.44 H new ATOM 0 HB2 LEU A 39 -1.357 -31.550 4.840 1.00 34.43 H new ATOM 0 HB3 LEU A 39 -2.412 -32.442 5.917 1.00 34.43 H new ATOM 0 HG LEU A 39 -1.523 -31.161 7.842 1.00 44.44 H new ATOM 0 HD11 LEU A 39 -0.156 -29.155 7.421 1.00 3.53 H new ATOM 0 HD12 LEU A 39 0.697 -30.644 6.952 1.00 3.53 H new ATOM 0 HD13 LEU A 39 -0.031 -29.605 5.704 1.00 3.53 H new ATOM 0 HD21 LEU A 39 -2.616 -29.027 7.277 1.00 12.11 H new ATOM 0 HD22 LEU A 39 -2.584 -29.472 5.554 1.00 12.11 H new ATOM 0 HD23 LEU A 39 -3.557 -30.423 6.701 1.00 12.11 H new ATOM 573 N LEU A 40 -0.625 -34.306 8.077 1.00 14.23 N ATOM 574 CA LEU A 40 -1.111 -35.417 8.888 1.00 62.30 C ATOM 575 C LEU A 40 -2.612 -35.611 8.703 1.00 15.24 C ATOM 576 O LEU A 40 -3.097 -36.739 8.618 1.00 71.13 O ATOM 577 CB LEU A 40 -0.794 -35.174 10.365 1.00 50.24 C ATOM 578 CG LEU A 40 -0.941 -36.382 11.291 1.00 43.25 C ATOM 579 CD1 LEU A 40 -0.124 -37.555 10.771 1.00 4.44 C ATOM 580 CD2 LEU A 40 -0.519 -36.022 12.708 1.00 55.42 C ATOM 0 H LEU A 40 -0.052 -33.632 8.585 1.00 14.23 H new ATOM 0 HA LEU A 40 -0.603 -36.324 8.559 1.00 62.30 H new ATOM 0 HB2 LEU A 40 0.229 -34.806 10.440 1.00 50.24 H new ATOM 0 HB3 LEU A 40 -1.446 -34.380 10.730 1.00 50.24 H new ATOM 0 HG LEU A 40 -1.990 -36.676 11.310 1.00 43.25 H new ATOM 0 HD11 LEU A 40 -0.241 -38.406 11.442 1.00 4.44 H new ATOM 0 HD12 LEU A 40 -0.473 -37.828 9.775 1.00 4.44 H new ATOM 0 HD13 LEU A 40 0.928 -37.273 10.722 1.00 4.44 H new ATOM 0 HD21 LEU A 40 -0.630 -36.893 13.353 1.00 55.42 H new ATOM 0 HD22 LEU A 40 0.523 -35.702 12.707 1.00 55.42 H new ATOM 0 HD23 LEU A 40 -1.147 -35.213 13.080 1.00 55.42 H new ATOM 592 N SER A 41 -3.344 -34.502 8.641 1.00 25.51 N ATOM 593 CA SER A 41 -4.791 -34.550 8.468 1.00 23.00 C ATOM 594 C SER A 41 -5.168 -35.447 7.293 1.00 31.11 C ATOM 595 O SER A 41 -6.196 -36.125 7.318 1.00 13.43 O ATOM 596 CB SER A 41 -5.346 -33.142 8.248 1.00 43.52 C ATOM 597 OG SER A 41 -6.561 -32.956 8.953 1.00 23.12 O ATOM 0 H SER A 41 -2.958 -33.560 8.708 1.00 25.51 H new ATOM 0 HA SER A 41 -5.227 -34.967 9.376 1.00 23.00 H new ATOM 0 HB2 SER A 41 -4.614 -32.404 8.577 1.00 43.52 H new ATOM 0 HB3 SER A 41 -5.511 -32.975 7.184 1.00 43.52 H new ATOM 0 HG SER A 41 -6.894 -32.048 8.797 1.00 23.12 H new ATOM 603 N THR A 42 -4.328 -35.447 6.263 1.00 52.35 N ATOM 604 CA THR A 42 -4.572 -36.258 5.077 1.00 35.41 C ATOM 605 C THR A 42 -4.304 -37.733 5.356 1.00 53.05 C ATOM 606 O THR A 42 -5.121 -38.595 5.031 1.00 31.00 O ATOM 607 CB THR A 42 -3.697 -35.803 3.894 1.00 22.44 C ATOM 608 OG1 THR A 42 -3.907 -34.411 3.637 1.00 45.42 O ATOM 609 CG2 THR A 42 -4.015 -36.609 2.644 1.00 71.11 C ATOM 0 H THR A 42 -3.472 -34.894 6.226 1.00 52.35 H new ATOM 0 HA THR A 42 -5.621 -36.125 4.814 1.00 35.41 H new ATOM 0 HB THR A 42 -2.653 -35.970 4.158 1.00 22.44 H new ATOM 0 HG1 THR A 42 -3.346 -34.129 2.885 1.00 45.42 H new ATOM 0 HG21 THR A 42 -3.385 -36.270 1.822 1.00 71.11 H new ATOM 0 HG22 THR A 42 -3.826 -37.665 2.834 1.00 71.11 H new ATOM 0 HG23 THR A 42 -5.063 -36.470 2.379 1.00 71.11 H new ATOM 617 N VAL A 43 -3.155 -38.017 5.959 1.00 4.14 N ATOM 618 CA VAL A 43 -2.779 -39.388 6.283 1.00 35.05 C ATOM 619 C VAL A 43 -3.880 -40.087 7.074 1.00 0.41 C ATOM 620 O VAL A 43 -4.148 -41.272 6.873 1.00 15.41 O ATOM 621 CB VAL A 43 -1.471 -39.435 7.094 1.00 21.24 C ATOM 622 CG1 VAL A 43 -1.379 -40.731 7.886 1.00 15.31 C ATOM 623 CG2 VAL A 43 -0.269 -39.276 6.175 1.00 31.44 C ATOM 0 H VAL A 43 -2.467 -37.315 6.234 1.00 4.14 H new ATOM 0 HA VAL A 43 -2.629 -39.907 5.336 1.00 35.05 H new ATOM 0 HB VAL A 43 -1.472 -38.605 7.801 1.00 21.24 H new ATOM 0 HG11 VAL A 43 -0.448 -40.746 8.453 1.00 15.31 H new ATOM 0 HG12 VAL A 43 -2.223 -40.798 8.573 1.00 15.31 H new ATOM 0 HG13 VAL A 43 -1.400 -41.578 7.201 1.00 15.31 H new ATOM 0 HG21 VAL A 43 0.647 -39.312 6.765 1.00 31.44 H new ATOM 0 HG22 VAL A 43 -0.261 -40.084 5.443 1.00 31.44 H new ATOM 0 HG23 VAL A 43 -0.331 -38.319 5.658 1.00 31.44 H new ATOM 633 N THR A 44 -4.516 -39.344 7.975 1.00 20.44 N ATOM 634 CA THR A 44 -5.588 -39.892 8.798 1.00 65.04 C ATOM 635 C THR A 44 -6.855 -40.107 7.978 1.00 44.32 C ATOM 636 O THR A 44 -7.684 -40.954 8.309 1.00 5.33 O ATOM 637 CB THR A 44 -5.910 -38.969 9.988 1.00 40.02 C ATOM 638 OG1 THR A 44 -6.622 -37.813 9.533 1.00 75.35 O ATOM 639 CG2 THR A 44 -4.636 -38.538 10.699 1.00 32.01 C ATOM 0 H THR A 44 -4.307 -38.362 8.153 1.00 20.44 H new ATOM 0 HA THR A 44 -5.237 -40.852 9.177 1.00 65.04 H new ATOM 0 HB THR A 44 -6.530 -39.524 10.692 1.00 40.02 H new ATOM 0 HG1 THR A 44 -6.187 -37.456 8.731 1.00 75.35 H new ATOM 0 HG21 THR A 44 -4.889 -37.887 11.536 1.00 32.01 H new ATOM 0 HG22 THR A 44 -4.111 -39.418 11.070 1.00 32.01 H new ATOM 0 HG23 THR A 44 -3.994 -38.000 10.001 1.00 32.01 H new ATOM 647 N ALA A 45 -6.998 -39.335 6.906 1.00 51.34 N ATOM 648 CA ALA A 45 -8.163 -39.443 6.037 1.00 54.13 C ATOM 649 C ALA A 45 -8.439 -40.896 5.666 1.00 22.21 C ATOM 650 O ALA A 45 -9.572 -41.367 5.765 1.00 4.12 O ATOM 651 CB ALA A 45 -7.966 -38.605 4.782 1.00 12.44 C ATOM 0 H ALA A 45 -6.321 -38.628 6.619 1.00 51.34 H new ATOM 0 HA ALA A 45 -9.027 -39.064 6.582 1.00 54.13 H new ATOM 0 HB1 ALA A 45 -8.844 -38.695 4.143 1.00 12.44 H new ATOM 0 HB2 ALA A 45 -7.826 -37.560 5.060 1.00 12.44 H new ATOM 0 HB3 ALA A 45 -7.087 -38.958 4.243 1.00 12.44 H new ATOM 657 N GLN A 46 -7.396 -41.601 5.239 1.00 51.13 N ATOM 658 CA GLN A 46 -7.527 -43.001 4.852 1.00 15.40 C ATOM 659 C GLN A 46 -6.879 -43.914 5.887 1.00 72.42 C ATOM 660 O GLN A 46 -7.346 -45.028 6.125 1.00 21.54 O ATOM 661 CB GLN A 46 -6.894 -43.234 3.480 1.00 64.14 C ATOM 662 CG GLN A 46 -6.886 -41.998 2.595 1.00 75.25 C ATOM 663 CD GLN A 46 -5.525 -41.335 2.529 1.00 1.14 C ATOM 664 OE1 GLN A 46 -5.326 -40.245 3.068 1.00 62.54 O ATOM 665 NE2 GLN A 46 -4.578 -41.990 1.868 1.00 21.21 N ATOM 0 H GLN A 46 -6.451 -41.226 5.152 1.00 51.13 H new ATOM 0 HA GLN A 46 -8.589 -43.240 4.799 1.00 15.40 H new ATOM 0 HB2 GLN A 46 -5.869 -43.580 3.616 1.00 64.14 H new ATOM 0 HB3 GLN A 46 -7.435 -44.032 2.971 1.00 64.14 H new ATOM 0 HG2 GLN A 46 -7.200 -42.275 1.589 1.00 75.25 H new ATOM 0 HG3 GLN A 46 -7.617 -41.282 2.971 1.00 75.25 H new ATOM 0 HE21 GLN A 46 -4.787 -42.890 1.437 1.00 21.21 H new ATOM 0 HE22 GLN A 46 -3.642 -41.593 1.791 1.00 21.21 H new ATOM 674 N PHE A 47 -5.801 -43.436 6.498 1.00 23.13 N ATOM 675 CA PHE A 47 -5.087 -44.211 7.507 1.00 51.31 C ATOM 676 C PHE A 47 -5.220 -43.565 8.883 1.00 33.31 C ATOM 677 O PHE A 47 -4.294 -42.934 9.393 1.00 33.11 O ATOM 678 CB PHE A 47 -3.609 -44.338 7.132 1.00 51.44 C ATOM 679 CG PHE A 47 -3.363 -44.314 5.650 1.00 23.32 C ATOM 680 CD1 PHE A 47 -4.030 -45.191 4.810 1.00 41.54 C ATOM 681 CD2 PHE A 47 -2.463 -43.416 5.098 1.00 33.33 C ATOM 682 CE1 PHE A 47 -3.806 -45.171 3.446 1.00 62.52 C ATOM 683 CE2 PHE A 47 -2.235 -43.392 3.735 1.00 34.33 C ATOM 684 CZ PHE A 47 -2.906 -44.272 2.908 1.00 14.32 C ATOM 0 H PHE A 47 -5.402 -42.516 6.313 1.00 23.13 H new ATOM 0 HA PHE A 47 -5.531 -45.206 7.547 1.00 51.31 H new ATOM 0 HB2 PHE A 47 -3.053 -43.525 7.598 1.00 51.44 H new ATOM 0 HB3 PHE A 47 -3.217 -45.268 7.542 1.00 51.44 H new ATOM 0 HD1 PHE A 47 -4.733 -45.898 5.225 1.00 41.54 H new ATOM 0 HD2 PHE A 47 -1.934 -42.727 5.740 1.00 33.33 H new ATOM 0 HE1 PHE A 47 -4.334 -45.858 2.801 1.00 62.52 H new ATOM 0 HE2 PHE A 47 -1.533 -42.686 3.317 1.00 34.33 H new ATOM 0 HZ PHE A 47 -2.727 -44.257 1.843 1.00 14.32 H new ATOM 694 N PRO A 48 -6.401 -43.726 9.500 1.00 43.14 N ATOM 695 CA PRO A 48 -6.684 -43.167 10.825 1.00 53.23 C ATOM 696 C PRO A 48 -5.901 -43.868 11.929 1.00 11.24 C ATOM 697 O PRO A 48 -5.939 -45.091 12.050 1.00 32.52 O ATOM 698 CB PRO A 48 -8.186 -43.409 10.998 1.00 41.43 C ATOM 699 CG PRO A 48 -8.485 -44.577 10.123 1.00 42.33 C ATOM 700 CD PRO A 48 -7.549 -44.466 8.951 1.00 72.33 C ATOM 0 HA PRO A 48 -6.396 -42.118 10.895 1.00 53.23 H new ATOM 0 HB2 PRO A 48 -8.436 -43.619 12.038 1.00 41.43 H new ATOM 0 HB3 PRO A 48 -8.765 -42.534 10.702 1.00 41.43 H new ATOM 0 HG2 PRO A 48 -8.332 -45.515 10.658 1.00 42.33 H new ATOM 0 HG3 PRO A 48 -9.524 -44.563 9.795 1.00 42.33 H new ATOM 0 HD2 PRO A 48 -7.254 -45.447 8.578 1.00 72.33 H new ATOM 0 HD3 PRO A 48 -8.009 -43.934 8.118 1.00 72.33 H new ATOM 708 N GLY A 49 -5.191 -43.083 12.735 1.00 70.24 N ATOM 709 CA GLY A 49 -4.409 -43.647 13.819 1.00 30.13 C ATOM 710 C GLY A 49 -2.971 -43.912 13.420 1.00 21.44 C ATOM 711 O GLY A 49 -2.071 -43.879 14.259 1.00 41.31 O ATOM 0 H GLY A 49 -5.144 -42.067 12.656 1.00 70.24 H new ATOM 0 HA2 GLY A 49 -4.427 -42.965 14.669 1.00 30.13 H new ATOM 0 HA3 GLY A 49 -4.869 -44.579 14.148 1.00 30.13 H new ATOM 715 N ALA A 50 -2.754 -44.179 12.137 1.00 52.25 N ATOM 716 CA ALA A 50 -1.415 -44.451 11.628 1.00 15.22 C ATOM 717 C ALA A 50 -0.424 -43.391 12.097 1.00 34.01 C ATOM 718 O ALA A 50 -0.514 -42.227 11.705 1.00 62.04 O ATOM 719 CB ALA A 50 -1.433 -44.524 10.109 1.00 62.45 C ATOM 0 H ALA A 50 -3.489 -44.213 11.430 1.00 52.25 H new ATOM 0 HA ALA A 50 -1.091 -45.414 12.023 1.00 15.22 H new ATOM 0 HB1 ALA A 50 -0.427 -44.728 9.743 1.00 62.45 H new ATOM 0 HB2 ALA A 50 -2.103 -45.322 9.791 1.00 62.45 H new ATOM 0 HB3 ALA A 50 -1.782 -43.574 9.703 1.00 62.45 H new ATOM 725 N CYS A 51 0.518 -43.801 12.938 1.00 4.44 N ATOM 726 CA CYS A 51 1.526 -42.885 13.462 1.00 30.12 C ATOM 727 C CYS A 51 2.647 -42.674 12.450 1.00 3.22 C ATOM 728 O CYS A 51 3.208 -41.584 12.348 1.00 11.51 O ATOM 729 CB CYS A 51 2.101 -43.423 14.774 1.00 53.54 C ATOM 730 SG CYS A 51 1.240 -42.837 16.252 1.00 52.12 S ATOM 0 H CYS A 51 0.606 -44.761 13.272 1.00 4.44 H new ATOM 0 HA CYS A 51 1.046 -41.925 13.651 1.00 30.12 H new ATOM 0 HB2 CYS A 51 2.066 -44.512 14.754 1.00 53.54 H new ATOM 0 HB3 CYS A 51 3.151 -43.139 14.842 1.00 53.54 H new ATOM 0 HG CYS A 51 1.797 -43.348 17.310 1.00 52.12 H new ATOM 736 N GLY A 52 2.970 -43.726 11.704 1.00 25.02 N ATOM 737 CA GLY A 52 4.025 -43.636 10.711 1.00 12.51 C ATOM 738 C GLY A 52 3.811 -44.586 9.550 1.00 73.11 C ATOM 739 O GLY A 52 3.188 -45.638 9.705 1.00 1.42 O ATOM 0 H GLY A 52 2.520 -44.639 11.769 1.00 25.02 H new ATOM 0 HA2 GLY A 52 4.080 -42.614 10.335 1.00 12.51 H new ATOM 0 HA3 GLY A 52 4.983 -43.854 11.183 1.00 12.51 H new ATOM 743 N LEU A 53 4.326 -44.217 8.382 1.00 13.45 N ATOM 744 CA LEU A 53 4.186 -45.044 7.189 1.00 45.42 C ATOM 745 C LEU A 53 5.545 -45.548 6.714 1.00 25.24 C ATOM 746 O LEU A 53 6.549 -44.842 6.811 1.00 22.13 O ATOM 747 CB LEU A 53 3.506 -44.251 6.072 1.00 52.33 C ATOM 748 CG LEU A 53 2.234 -43.498 6.462 1.00 14.43 C ATOM 749 CD1 LEU A 53 1.430 -44.297 7.477 1.00 45.32 C ATOM 750 CD2 LEU A 53 2.577 -42.122 7.015 1.00 13.01 C ATOM 0 H LEU A 53 4.844 -43.351 8.236 1.00 13.45 H new ATOM 0 HA LEU A 53 3.568 -45.905 7.444 1.00 45.42 H new ATOM 0 HB2 LEU A 53 4.223 -43.532 5.676 1.00 52.33 H new ATOM 0 HB3 LEU A 53 3.263 -44.938 5.262 1.00 52.33 H new ATOM 0 HG LEU A 53 1.624 -43.367 5.568 1.00 14.43 H new ATOM 0 HD11 LEU A 53 0.528 -43.745 7.743 1.00 45.32 H new ATOM 0 HD12 LEU A 53 1.153 -45.259 7.046 1.00 45.32 H new ATOM 0 HD13 LEU A 53 2.032 -44.460 8.371 1.00 45.32 H new ATOM 0 HD21 LEU A 53 1.660 -41.600 7.287 1.00 13.01 H new ATOM 0 HD22 LEU A 53 3.208 -42.231 7.897 1.00 13.01 H new ATOM 0 HD23 LEU A 53 3.110 -41.548 6.257 1.00 13.01 H new ATOM 762 N ARG A 54 5.569 -46.773 6.200 1.00 62.33 N ATOM 763 CA ARG A 54 6.805 -47.372 5.709 1.00 13.00 C ATOM 764 C ARG A 54 6.821 -47.413 4.184 1.00 53.13 C ATOM 765 O ARG A 54 5.795 -47.204 3.536 1.00 14.42 O ATOM 766 CB ARG A 54 6.969 -48.786 6.270 1.00 50.15 C ATOM 767 CG ARG A 54 8.383 -49.097 6.733 1.00 52.12 C ATOM 768 CD ARG A 54 8.743 -50.553 6.484 1.00 71.22 C ATOM 769 NE ARG A 54 8.586 -51.369 7.685 1.00 55.01 N ATOM 770 CZ ARG A 54 8.622 -52.697 7.681 1.00 11.23 C ATOM 771 NH1 ARG A 54 8.810 -53.355 6.546 1.00 74.12 N ATOM 772 NH2 ARG A 54 8.471 -53.369 8.815 1.00 13.04 N ATOM 0 H ARG A 54 4.747 -47.370 6.113 1.00 62.33 H new ATOM 0 HA ARG A 54 7.638 -46.755 6.047 1.00 13.00 H new ATOM 0 HB2 ARG A 54 6.284 -48.917 7.108 1.00 50.15 H new ATOM 0 HB3 ARG A 54 6.679 -49.507 5.506 1.00 50.15 H new ATOM 0 HG2 ARG A 54 9.089 -48.452 6.209 1.00 52.12 H new ATOM 0 HG3 ARG A 54 8.476 -48.875 7.796 1.00 52.12 H new ATOM 0 HD2 ARG A 54 8.112 -50.952 5.690 1.00 71.22 H new ATOM 0 HD3 ARG A 54 9.773 -50.617 6.135 1.00 71.22 H new ATOM 0 HE ARG A 54 8.441 -50.893 8.576 1.00 55.01 H new ATOM 0 HH11 ARG A 54 8.928 -52.842 5.672 1.00 74.12 H new ATOM 0 HH12 ARG A 54 8.837 -54.375 6.546 1.00 74.12 H new ATOM 0 HH21 ARG A 54 8.327 -52.866 9.691 1.00 13.04 H new ATOM 0 HH22 ARG A 54 8.499 -54.389 8.811 1.00 13.04 H new ATOM 786 N TYR A 55 7.991 -47.683 3.617 1.00 61.12 N ATOM 787 CA TYR A 55 8.142 -47.748 2.168 1.00 74.51 C ATOM 788 C TYR A 55 8.271 -49.194 1.698 1.00 24.24 C ATOM 789 O TYR A 55 9.073 -49.962 2.231 1.00 51.00 O ATOM 790 CB TYR A 55 9.365 -46.945 1.724 1.00 1.34 C ATOM 791 CG TYR A 55 9.025 -45.751 0.861 1.00 71.34 C ATOM 792 CD1 TYR A 55 8.398 -45.915 -0.369 1.00 10.04 C ATOM 793 CD2 TYR A 55 9.331 -44.460 1.273 1.00 62.32 C ATOM 794 CE1 TYR A 55 8.086 -44.828 -1.162 1.00 12.33 C ATOM 795 CE2 TYR A 55 9.021 -43.367 0.487 1.00 25.21 C ATOM 796 CZ TYR A 55 8.399 -43.556 -0.729 1.00 41.03 C ATOM 797 OH TYR A 55 8.090 -42.470 -1.516 1.00 2.34 O ATOM 0 H TYR A 55 8.849 -47.861 4.139 1.00 61.12 H new ATOM 0 HA TYR A 55 7.249 -47.316 1.716 1.00 74.51 H new ATOM 0 HB2 TYR A 55 9.904 -46.603 2.607 1.00 1.34 H new ATOM 0 HB3 TYR A 55 10.039 -47.601 1.173 1.00 1.34 H new ATOM 0 HD1 TYR A 55 8.151 -46.909 -0.710 1.00 10.04 H new ATOM 0 HD2 TYR A 55 9.820 -44.308 2.224 1.00 62.32 H new ATOM 0 HE1 TYR A 55 7.600 -44.973 -2.115 1.00 12.33 H new ATOM 0 HE2 TYR A 55 9.265 -42.370 0.823 1.00 25.21 H new ATOM 0 HH TYR A 55 7.418 -42.729 -2.181 1.00 2.34 H new ATOM 807 N ARG A 56 7.477 -49.558 0.697 1.00 40.32 N ATOM 808 CA ARG A 56 7.502 -50.911 0.155 1.00 54.24 C ATOM 809 C ARG A 56 7.640 -50.885 -1.365 1.00 23.32 C ATOM 810 O ARG A 56 6.658 -50.711 -2.085 1.00 30.34 O ATOM 811 CB ARG A 56 6.230 -51.664 0.549 1.00 71.23 C ATOM 812 CG ARG A 56 5.970 -52.903 -0.293 1.00 24.13 C ATOM 813 CD ARG A 56 7.184 -53.819 -0.325 1.00 31.04 C ATOM 814 NE ARG A 56 6.952 -55.006 -1.143 1.00 20.44 N ATOM 815 CZ ARG A 56 7.771 -56.052 -1.169 1.00 42.25 C ATOM 816 NH1 ARG A 56 8.870 -56.057 -0.427 1.00 52.52 N ATOM 817 NH2 ARG A 56 7.492 -57.096 -1.940 1.00 11.53 N ATOM 0 H ARG A 56 6.808 -48.935 0.245 1.00 40.32 H new ATOM 0 HA ARG A 56 8.366 -51.427 0.573 1.00 54.24 H new ATOM 0 HB2 ARG A 56 6.300 -51.955 1.597 1.00 71.23 H new ATOM 0 HB3 ARG A 56 5.377 -50.990 0.462 1.00 71.23 H new ATOM 0 HG2 ARG A 56 5.114 -53.445 0.110 1.00 24.13 H new ATOM 0 HG3 ARG A 56 5.710 -52.606 -1.309 1.00 24.13 H new ATOM 0 HD2 ARG A 56 8.041 -53.271 -0.716 1.00 31.04 H new ATOM 0 HD3 ARG A 56 7.436 -54.122 0.691 1.00 31.04 H new ATOM 0 HE ARG A 56 6.116 -55.034 -1.726 1.00 20.44 H new ATOM 0 HH11 ARG A 56 9.089 -55.256 0.166 1.00 52.52 H new ATOM 0 HH12 ARG A 56 9.497 -56.861 -0.449 1.00 52.52 H new ATOM 0 HH21 ARG A 56 6.648 -57.096 -2.513 1.00 11.53 H new ATOM 0 HH22 ARG A 56 8.121 -57.898 -1.959 1.00 11.53 H new ATOM 831 N ASN A 57 8.867 -51.059 -1.845 1.00 24.42 N ATOM 832 CA ASN A 57 9.135 -51.055 -3.278 1.00 71.25 C ATOM 833 C ASN A 57 9.537 -52.446 -3.761 1.00 5.52 C ATOM 834 O ASN A 57 10.595 -52.970 -3.410 1.00 12.42 O ATOM 835 CB ASN A 57 10.239 -50.049 -3.609 1.00 51.14 C ATOM 836 CG ASN A 57 9.751 -48.614 -3.550 1.00 35.44 C ATOM 837 OD1 ASN A 57 9.150 -48.192 -2.561 1.00 71.14 O ATOM 838 ND2 ASN A 57 10.007 -47.858 -4.610 1.00 54.34 N ATOM 0 H ASN A 57 9.691 -51.205 -1.262 1.00 24.42 H new ATOM 0 HA ASN A 57 8.220 -50.762 -3.792 1.00 71.25 H new ATOM 0 HB2 ASN A 57 11.065 -50.178 -2.910 1.00 51.14 H new ATOM 0 HB3 ASN A 57 10.629 -50.257 -4.605 1.00 51.14 H new ATOM 0 HD21 ASN A 57 9.703 -46.885 -4.628 1.00 54.34 H new ATOM 0 HD22 ASN A 57 10.508 -48.250 -5.407 1.00 54.34 H new ATOM 962 N VAL A 66 8.916 -43.460 4.712 1.00 12.20 N ATOM 963 CA VAL A 66 8.436 -42.084 4.748 1.00 52.51 C ATOM 964 C VAL A 66 8.869 -41.384 6.031 1.00 1.31 C ATOM 965 O VAL A 66 8.462 -41.768 7.128 1.00 65.33 O ATOM 966 CB VAL A 66 6.901 -42.021 4.635 1.00 30.23 C ATOM 967 CG1 VAL A 66 6.412 -40.589 4.791 1.00 73.44 C ATOM 968 CG2 VAL A 66 6.440 -42.610 3.311 1.00 61.24 C ATOM 0 HA VAL A 66 8.877 -41.573 3.892 1.00 52.51 H new ATOM 0 HB VAL A 66 6.470 -42.616 5.440 1.00 30.23 H new ATOM 0 HG11 VAL A 66 5.325 -40.565 4.708 1.00 73.44 H new ATOM 0 HG12 VAL A 66 6.710 -40.207 5.767 1.00 73.44 H new ATOM 0 HG13 VAL A 66 6.849 -39.968 4.009 1.00 73.44 H new ATOM 0 HG21 VAL A 66 5.353 -42.557 3.248 1.00 61.24 H new ATOM 0 HG22 VAL A 66 6.879 -42.045 2.489 1.00 61.24 H new ATOM 0 HG23 VAL A 66 6.757 -43.651 3.246 1.00 61.24 H new ATOM 978 N ARG A 67 9.696 -40.354 5.887 1.00 45.35 N ATOM 979 CA ARG A 67 10.186 -39.600 7.034 1.00 11.14 C ATOM 980 C ARG A 67 9.105 -38.667 7.573 1.00 21.34 C ATOM 981 O ARG A 67 8.700 -37.716 6.903 1.00 21.35 O ATOM 982 CB ARG A 67 11.426 -38.792 6.649 1.00 4.34 C ATOM 983 CG ARG A 67 11.864 -37.802 7.717 1.00 54.44 C ATOM 984 CD ARG A 67 12.282 -38.510 8.996 1.00 50.44 C ATOM 985 NE ARG A 67 11.729 -37.866 10.184 1.00 53.41 N ATOM 986 CZ ARG A 67 12.200 -38.058 11.411 1.00 73.31 C ATOM 987 NH1 ARG A 67 13.228 -38.872 11.610 1.00 54.22 N ATOM 988 NH2 ARG A 67 11.643 -37.436 12.442 1.00 33.10 N ATOM 0 H ARG A 67 10.041 -40.022 4.986 1.00 45.35 H new ATOM 0 HA ARG A 67 10.453 -40.310 7.817 1.00 11.14 H new ATOM 0 HB2 ARG A 67 12.247 -39.479 6.443 1.00 4.34 H new ATOM 0 HB3 ARG A 67 11.224 -38.251 5.725 1.00 4.34 H new ATOM 0 HG2 ARG A 67 12.695 -37.205 7.342 1.00 54.44 H new ATOM 0 HG3 ARG A 67 11.048 -37.112 7.932 1.00 54.44 H new ATOM 0 HD2 ARG A 67 11.952 -39.548 8.960 1.00 50.44 H new ATOM 0 HD3 ARG A 67 13.370 -38.523 9.064 1.00 50.44 H new ATOM 0 HE ARG A 67 10.937 -37.234 10.065 1.00 53.41 H new ATOM 0 HH11 ARG A 67 13.659 -39.352 10.820 1.00 54.22 H new ATOM 0 HH12 ARG A 67 13.588 -39.018 12.553 1.00 54.22 H new ATOM 0 HH21 ARG A 67 10.852 -36.809 12.293 1.00 33.10 H new ATOM 0 HH22 ARG A 67 12.006 -37.584 13.384 1.00 33.10 H new ATOM 1002 N LEU A 68 8.642 -38.946 8.787 1.00 73.23 N ATOM 1003 CA LEU A 68 7.607 -38.133 9.416 1.00 2.22 C ATOM 1004 C LEU A 68 8.223 -37.088 10.341 1.00 45.34 C ATOM 1005 O LEU A 68 9.134 -37.387 11.113 1.00 3.41 O ATOM 1006 CB LEU A 68 6.641 -39.020 10.203 1.00 24.32 C ATOM 1007 CG LEU A 68 5.572 -38.291 11.018 1.00 60.44 C ATOM 1008 CD1 LEU A 68 6.155 -37.775 12.324 1.00 63.22 C ATOM 1009 CD2 LEU A 68 4.974 -37.149 10.210 1.00 15.22 C ATOM 0 H LEU A 68 8.967 -39.729 9.355 1.00 73.23 H new ATOM 0 HA LEU A 68 7.057 -37.617 8.629 1.00 2.22 H new ATOM 0 HB2 LEU A 68 6.142 -39.689 9.503 1.00 24.32 H new ATOM 0 HB3 LEU A 68 7.223 -39.644 10.881 1.00 24.32 H new ATOM 0 HG LEU A 68 4.777 -38.998 11.255 1.00 60.44 H new ATOM 0 HD11 LEU A 68 5.379 -37.259 12.890 1.00 63.22 H new ATOM 0 HD12 LEU A 68 6.535 -38.613 12.909 1.00 63.22 H new ATOM 0 HD13 LEU A 68 6.969 -37.083 12.111 1.00 63.22 H new ATOM 0 HD21 LEU A 68 4.215 -36.641 10.805 1.00 15.22 H new ATOM 0 HD22 LEU A 68 5.759 -36.442 9.943 1.00 15.22 H new ATOM 0 HD23 LEU A 68 4.519 -37.545 9.302 1.00 15.22 H new ATOM 1021 N VAL A 69 7.719 -35.861 10.258 1.00 41.44 N ATOM 1022 CA VAL A 69 8.218 -34.771 11.089 1.00 75.41 C ATOM 1023 C VAL A 69 7.113 -33.767 11.399 1.00 43.13 C ATOM 1024 O VAL A 69 6.505 -33.199 10.492 1.00 63.51 O ATOM 1025 CB VAL A 69 9.388 -34.037 10.409 1.00 24.02 C ATOM 1026 CG1 VAL A 69 8.981 -33.546 9.028 1.00 3.44 C ATOM 1027 CG2 VAL A 69 9.867 -32.882 11.276 1.00 42.15 C ATOM 0 H VAL A 69 6.965 -35.596 9.624 1.00 41.44 H new ATOM 0 HA VAL A 69 8.571 -35.217 12.019 1.00 75.41 H new ATOM 0 HB VAL A 69 10.214 -34.738 10.289 1.00 24.02 H new ATOM 0 HG11 VAL A 69 9.821 -33.030 8.563 1.00 3.44 H new ATOM 0 HG12 VAL A 69 8.691 -34.396 8.411 1.00 3.44 H new ATOM 0 HG13 VAL A 69 8.139 -32.860 9.119 1.00 3.44 H new ATOM 0 HG21 VAL A 69 10.694 -32.374 10.781 1.00 42.15 H new ATOM 0 HG22 VAL A 69 9.049 -32.178 11.429 1.00 42.15 H new ATOM 0 HG23 VAL A 69 10.202 -33.265 12.240 1.00 42.15 H new ATOM 1037 N GLU A 70 6.860 -33.552 12.686 1.00 21.20 N ATOM 1038 CA GLU A 70 5.828 -32.616 13.115 1.00 1.30 C ATOM 1039 C GLU A 70 4.458 -33.038 12.591 1.00 45.31 C ATOM 1040 O GLU A 70 3.575 -32.206 12.391 1.00 51.53 O ATOM 1041 CB GLU A 70 6.158 -31.202 12.631 1.00 30.02 C ATOM 1042 CG GLU A 70 7.516 -30.701 13.095 1.00 73.54 C ATOM 1043 CD GLU A 70 7.524 -30.310 14.560 1.00 42.15 C ATOM 1044 OE1 GLU A 70 6.428 -30.178 15.144 1.00 4.20 O ATOM 1045 OE2 GLU A 70 8.626 -30.135 15.121 1.00 34.32 O ATOM 0 H GLU A 70 7.355 -34.013 13.449 1.00 21.20 H new ATOM 0 HA GLU A 70 5.798 -32.622 14.205 1.00 1.30 H new ATOM 0 HB2 GLU A 70 6.126 -31.183 11.542 1.00 30.02 H new ATOM 0 HB3 GLU A 70 5.387 -30.517 12.984 1.00 30.02 H new ATOM 0 HG2 GLU A 70 8.263 -31.477 12.926 1.00 73.54 H new ATOM 0 HG3 GLU A 70 7.807 -29.841 12.492 1.00 73.54 H new ATOM 1052 N GLY A 71 4.291 -34.338 12.370 1.00 33.22 N ATOM 1053 CA GLY A 71 3.027 -34.849 11.871 1.00 45.13 C ATOM 1054 C GLY A 71 2.964 -34.858 10.356 1.00 12.13 C ATOM 1055 O GLY A 71 2.239 -35.658 9.764 1.00 52.42 O ATOM 0 H GLY A 71 5.008 -35.046 12.527 1.00 33.22 H new ATOM 0 HA2 GLY A 71 2.875 -35.862 12.244 1.00 45.13 H new ATOM 0 HA3 GLY A 71 2.212 -34.240 12.262 1.00 45.13 H new ATOM 1059 N ILE A 72 3.723 -33.966 9.729 1.00 54.15 N ATOM 1060 CA ILE A 72 3.748 -33.874 8.274 1.00 25.30 C ATOM 1061 C ILE A 72 4.662 -34.937 7.672 1.00 33.15 C ATOM 1062 O ILE A 72 5.869 -34.944 7.916 1.00 42.11 O ATOM 1063 CB ILE A 72 4.219 -32.485 7.806 1.00 53.43 C ATOM 1064 CG1 ILE A 72 3.311 -31.395 8.379 1.00 13.23 C ATOM 1065 CG2 ILE A 72 4.241 -32.417 6.286 1.00 62.30 C ATOM 1066 CD1 ILE A 72 3.965 -30.575 9.469 1.00 0.21 C ATOM 0 H ILE A 72 4.328 -33.297 10.205 1.00 54.15 H new ATOM 0 HA ILE A 72 2.727 -34.038 7.930 1.00 25.30 H new ATOM 0 HB ILE A 72 5.232 -32.319 8.173 1.00 53.43 H new ATOM 0 HG12 ILE A 72 3.001 -30.731 7.572 1.00 13.23 H new ATOM 0 HG13 ILE A 72 2.408 -31.858 8.776 1.00 13.23 H new ATOM 0 HG21 ILE A 72 4.576 -31.429 5.971 1.00 62.30 H new ATOM 0 HG22 ILE A 72 4.924 -33.173 5.898 1.00 62.30 H new ATOM 0 HG23 ILE A 72 3.239 -32.601 5.899 1.00 62.30 H new ATOM 0 HD11 ILE A 72 3.264 -29.822 9.828 1.00 0.21 H new ATOM 0 HD12 ILE A 72 4.250 -31.228 10.294 1.00 0.21 H new ATOM 0 HD13 ILE A 72 4.853 -30.083 9.071 1.00 0.21 H new ATOM 1078 N LEU A 73 4.078 -35.833 6.884 1.00 22.24 N ATOM 1079 CA LEU A 73 4.839 -36.901 6.245 1.00 5.11 C ATOM 1080 C LEU A 73 5.704 -36.352 5.115 1.00 5.52 C ATOM 1081 O LEU A 73 5.192 -35.870 4.105 1.00 54.25 O ATOM 1082 CB LEU A 73 3.894 -37.974 5.703 1.00 31.32 C ATOM 1083 CG LEU A 73 3.269 -38.905 6.743 1.00 63.41 C ATOM 1084 CD1 LEU A 73 4.351 -39.595 7.560 1.00 12.11 C ATOM 1085 CD2 LEU A 73 2.323 -38.133 7.651 1.00 62.15 C ATOM 0 H LEU A 73 3.080 -35.841 6.672 1.00 22.24 H new ATOM 0 HA LEU A 73 5.492 -37.346 6.995 1.00 5.11 H new ATOM 0 HB2 LEU A 73 3.090 -37.480 5.157 1.00 31.32 H new ATOM 0 HB3 LEU A 73 4.442 -38.582 4.983 1.00 31.32 H new ATOM 0 HG LEU A 73 2.694 -39.669 6.220 1.00 63.41 H new ATOM 0 HD11 LEU A 73 3.888 -40.253 8.295 1.00 12.11 H new ATOM 0 HD12 LEU A 73 4.988 -40.181 6.898 1.00 12.11 H new ATOM 0 HD13 LEU A 73 4.953 -38.845 8.073 1.00 12.11 H new ATOM 0 HD21 LEU A 73 1.888 -38.812 8.384 1.00 62.15 H new ATOM 0 HD22 LEU A 73 2.874 -37.347 8.167 1.00 62.15 H new ATOM 0 HD23 LEU A 73 1.528 -37.687 7.053 1.00 62.15 H new ATOM 1097 N HIS A 74 7.020 -36.429 5.292 1.00 34.12 N ATOM 1098 CA HIS A 74 7.957 -35.942 4.286 1.00 75.21 C ATOM 1099 C HIS A 74 8.259 -37.026 3.256 1.00 63.12 C ATOM 1100 O HIS A 74 8.306 -38.211 3.583 1.00 35.42 O ATOM 1101 CB HIS A 74 9.253 -35.476 4.949 1.00 50.01 C ATOM 1102 CG HIS A 74 9.726 -34.140 4.465 1.00 2.24 C ATOM 1103 ND1 HIS A 74 9.936 -33.853 3.133 1.00 13.51 N ATOM 1104 CD2 HIS A 74 10.029 -33.009 5.145 1.00 42.13 C ATOM 1105 CE1 HIS A 74 10.349 -32.603 3.014 1.00 72.41 C ATOM 1106 NE2 HIS A 74 10.414 -32.069 4.220 1.00 34.11 N ATOM 0 H HIS A 74 7.461 -36.824 6.123 1.00 34.12 H new ATOM 0 HA HIS A 74 7.496 -35.097 3.774 1.00 75.21 H new ATOM 0 HB2 HIS A 74 9.104 -35.431 6.028 1.00 50.01 H new ATOM 0 HB3 HIS A 74 10.032 -36.216 4.766 1.00 50.01 H new ATOM 0 HD2 HIS A 74 9.978 -32.871 6.215 1.00 42.13 H new ATOM 0 HE1 HIS A 74 10.592 -32.103 2.088 1.00 72.41 H new ATOM 0 HE2 HIS A 74 10.703 -31.114 4.431 1.00 34.11 H new ATOM 1114 N ALA A 75 8.464 -36.611 2.010 1.00 72.01 N ATOM 1115 CA ALA A 75 8.763 -37.546 0.933 1.00 61.14 C ATOM 1116 C ALA A 75 10.267 -37.654 0.702 1.00 75.55 C ATOM 1117 O ALA A 75 11.039 -36.764 1.056 1.00 42.33 O ATOM 1118 CB ALA A 75 8.060 -37.119 -0.347 1.00 72.43 C ATOM 0 H ALA A 75 8.428 -35.633 1.722 1.00 72.01 H new ATOM 0 HA ALA A 75 8.395 -38.529 1.226 1.00 61.14 H new ATOM 0 HB1 ALA A 75 8.292 -37.826 -1.143 1.00 72.43 H new ATOM 0 HB2 ALA A 75 6.983 -37.100 -0.181 1.00 72.43 H new ATOM 0 HB3 ALA A 75 8.401 -36.124 -0.635 1.00 72.43 H new ATOM 1124 N PRO A 76 10.694 -38.771 0.094 1.00 73.40 N ATOM 1125 CA PRO A 76 12.108 -39.022 -0.198 1.00 22.44 C ATOM 1126 C PRO A 76 12.647 -38.105 -1.290 1.00 55.02 C ATOM 1127 O PRO A 76 11.954 -37.195 -1.747 1.00 61.41 O ATOM 1128 CB PRO A 76 12.120 -40.479 -0.668 1.00 43.13 C ATOM 1129 CG PRO A 76 10.748 -40.718 -1.196 1.00 13.12 C ATOM 1130 CD PRO A 76 9.829 -39.875 -0.356 1.00 14.14 C ATOM 0 HA PRO A 76 12.742 -38.834 0.668 1.00 22.44 H new ATOM 0 HB2 PRO A 76 12.874 -40.640 -1.438 1.00 43.13 H new ATOM 0 HB3 PRO A 76 12.352 -41.158 0.153 1.00 43.13 H new ATOM 0 HG2 PRO A 76 10.681 -40.440 -2.248 1.00 13.12 H new ATOM 0 HG3 PRO A 76 10.482 -41.773 -1.128 1.00 13.12 H new ATOM 0 HD2 PRO A 76 8.979 -39.510 -0.933 1.00 14.14 H new ATOM 0 HD3 PRO A 76 9.425 -40.438 0.486 1.00 14.14 H new ATOM 1138 N ASP A 77 13.885 -38.350 -1.705 1.00 14.11 N ATOM 1139 CA ASP A 77 14.515 -37.546 -2.746 1.00 23.44 C ATOM 1140 C ASP A 77 14.017 -37.959 -4.127 1.00 42.43 C ATOM 1141 O ASP A 77 14.395 -37.365 -5.137 1.00 11.32 O ATOM 1142 CB ASP A 77 16.037 -37.686 -2.676 1.00 32.02 C ATOM 1143 CG ASP A 77 16.719 -36.395 -2.268 1.00 54.34 C ATOM 1144 OD1 ASP A 77 16.348 -35.834 -1.215 1.00 63.33 O ATOM 1145 OD2 ASP A 77 17.623 -35.945 -3.002 1.00 41.22 O ATOM 0 H ASP A 77 14.472 -39.098 -1.337 1.00 14.11 H new ATOM 0 HA ASP A 77 14.245 -36.503 -2.579 1.00 23.44 H new ATOM 0 HB2 ASP A 77 16.294 -38.470 -1.964 1.00 32.02 H new ATOM 0 HB3 ASP A 77 16.415 -38.002 -3.648 1.00 32.02 H new ATOM 1150 N ALA A 78 13.168 -38.980 -4.164 1.00 71.20 N ATOM 1151 CA ALA A 78 12.618 -39.471 -5.421 1.00 75.32 C ATOM 1152 C ALA A 78 11.140 -39.118 -5.549 1.00 13.51 C ATOM 1153 O ALA A 78 10.616 -38.988 -6.654 1.00 53.04 O ATOM 1154 CB ALA A 78 12.813 -40.976 -5.531 1.00 64.11 C ATOM 0 H ALA A 78 12.846 -39.484 -3.337 1.00 71.20 H new ATOM 0 HA ALA A 78 13.153 -38.985 -6.237 1.00 75.32 H new ATOM 0 HB1 ALA A 78 12.397 -41.329 -6.475 1.00 64.11 H new ATOM 0 HB2 ALA A 78 13.877 -41.209 -5.494 1.00 64.11 H new ATOM 0 HB3 ALA A 78 12.304 -41.470 -4.703 1.00 64.11 H new ATOM 1160 N GLY A 79 10.472 -38.963 -4.409 1.00 61.14 N ATOM 1161 CA GLY A 79 9.060 -38.627 -4.416 1.00 45.45 C ATOM 1162 C GLY A 79 8.203 -39.710 -3.793 1.00 60.12 C ATOM 1163 O GLY A 79 8.717 -40.732 -3.338 1.00 74.22 O ATOM 0 H GLY A 79 10.884 -39.064 -3.481 1.00 61.14 H new ATOM 0 HA2 GLY A 79 8.909 -37.693 -3.875 1.00 45.45 H new ATOM 0 HA3 GLY A 79 8.735 -38.457 -5.443 1.00 45.45 H new ATOM 1167 N TRP A 80 6.894 -39.486 -3.771 1.00 22.52 N ATOM 1168 CA TRP A 80 5.964 -40.452 -3.197 1.00 12.15 C ATOM 1169 C TRP A 80 5.887 -41.710 -4.054 1.00 21.41 C ATOM 1170 O TRP A 80 6.163 -42.812 -3.582 1.00 20.34 O ATOM 1171 CB TRP A 80 4.573 -39.830 -3.056 1.00 45.02 C ATOM 1172 CG TRP A 80 4.516 -38.727 -2.043 1.00 34.11 C ATOM 1173 CD1 TRP A 80 4.258 -37.407 -2.282 1.00 34.53 C ATOM 1174 CD2 TRP A 80 4.722 -38.849 -0.631 1.00 42.44 C ATOM 1175 NE1 TRP A 80 4.291 -36.701 -1.103 1.00 64.25 N ATOM 1176 CE2 TRP A 80 4.573 -37.562 -0.076 1.00 65.44 C ATOM 1177 CE3 TRP A 80 5.016 -39.919 0.218 1.00 42.40 C ATOM 1178 CZ2 TRP A 80 4.710 -37.320 1.288 1.00 64.41 C ATOM 1179 CZ3 TRP A 80 5.152 -39.677 1.572 1.00 41.43 C ATOM 1180 CH2 TRP A 80 4.999 -38.386 2.096 1.00 35.41 C ATOM 0 H TRP A 80 6.453 -38.645 -4.143 1.00 22.52 H new ATOM 0 HA TRP A 80 6.332 -40.730 -2.209 1.00 12.15 H new ATOM 0 HB2 TRP A 80 4.257 -39.441 -4.024 1.00 45.02 H new ATOM 0 HB3 TRP A 80 3.862 -40.607 -2.777 1.00 45.02 H new ATOM 0 HD1 TRP A 80 4.058 -36.981 -3.254 1.00 34.53 H new ATOM 0 HE1 TRP A 80 4.131 -35.698 -1.008 1.00 64.25 H new ATOM 0 HE3 TRP A 80 5.135 -40.917 -0.177 1.00 42.40 H new ATOM 0 HZ2 TRP A 80 4.592 -36.326 1.694 1.00 64.41 H new ATOM 0 HZ3 TRP A 80 5.380 -40.496 2.237 1.00 41.43 H new ATOM 0 HH2 TRP A 80 5.111 -38.229 3.159 1.00 35.41 H new ATOM 1191 N GLY A 81 5.511 -41.539 -5.318 1.00 14.35 N ATOM 1192 CA GLY A 81 5.405 -42.670 -6.220 1.00 72.03 C ATOM 1193 C GLY A 81 4.068 -43.377 -6.110 1.00 42.41 C ATOM 1194 O GLY A 81 3.112 -42.829 -5.563 1.00 4.31 O ATOM 0 H GLY A 81 5.278 -40.637 -5.733 1.00 14.35 H new ATOM 0 HA2 GLY A 81 5.548 -42.328 -7.245 1.00 72.03 H new ATOM 0 HA3 GLY A 81 6.206 -43.378 -6.005 1.00 72.03 H new ATOM 1198 N ASN A 82 4.001 -44.597 -6.633 1.00 53.42 N ATOM 1199 CA ASN A 82 2.770 -45.378 -6.593 1.00 62.30 C ATOM 1200 C ASN A 82 3.024 -46.763 -6.005 1.00 64.24 C ATOM 1201 O ASN A 82 2.391 -47.743 -6.400 1.00 71.11 O ATOM 1202 CB ASN A 82 2.178 -45.509 -7.998 1.00 3.01 C ATOM 1203 CG ASN A 82 1.881 -44.162 -8.628 1.00 10.24 C ATOM 1204 OD1 ASN A 82 0.726 -43.741 -8.704 1.00 65.35 O ATOM 1205 ND2 ASN A 82 2.925 -43.478 -9.082 1.00 73.01 N ATOM 0 H ASN A 82 4.784 -45.066 -7.089 1.00 53.42 H new ATOM 0 HA ASN A 82 2.058 -44.856 -5.954 1.00 62.30 H new ATOM 0 HB2 ASN A 82 2.873 -46.058 -8.633 1.00 3.01 H new ATOM 0 HB3 ASN A 82 1.260 -46.095 -7.949 1.00 3.01 H new ATOM 0 HD21 ASN A 82 2.787 -42.565 -9.515 1.00 73.01 H new ATOM 0 HD22 ASN A 82 3.865 -43.866 -8.998 1.00 73.01 H new ATOM 1212 N LEU A 83 3.955 -46.837 -5.060 1.00 14.21 N ATOM 1213 CA LEU A 83 4.293 -48.101 -4.416 1.00 70.43 C ATOM 1214 C LEU A 83 3.411 -48.344 -3.196 1.00 20.42 C ATOM 1215 O LEU A 83 2.499 -47.568 -2.911 1.00 71.04 O ATOM 1216 CB LEU A 83 5.766 -48.109 -4.005 1.00 2.23 C ATOM 1217 CG LEU A 83 6.279 -46.840 -3.321 1.00 75.44 C ATOM 1218 CD1 LEU A 83 6.661 -45.794 -4.356 1.00 42.14 C ATOM 1219 CD2 LEU A 83 5.231 -46.289 -2.365 1.00 72.42 C ATOM 0 H LEU A 83 4.489 -46.036 -4.723 1.00 14.21 H new ATOM 0 HA LEU A 83 4.118 -48.903 -5.133 1.00 70.43 H new ATOM 0 HB2 LEU A 83 5.931 -48.952 -3.333 1.00 2.23 H new ATOM 0 HB3 LEU A 83 6.370 -48.288 -4.895 1.00 2.23 H new ATOM 0 HG LEU A 83 7.169 -47.094 -2.745 1.00 75.44 H new ATOM 0 HD11 LEU A 83 7.024 -44.898 -3.851 1.00 42.14 H new ATOM 0 HD12 LEU A 83 7.445 -46.190 -5.001 1.00 42.14 H new ATOM 0 HD13 LEU A 83 5.788 -45.543 -4.959 1.00 42.14 H new ATOM 0 HD21 LEU A 83 5.613 -45.387 -1.887 1.00 72.42 H new ATOM 0 HD22 LEU A 83 4.323 -46.050 -2.919 1.00 72.42 H new ATOM 0 HD23 LEU A 83 5.005 -47.035 -1.603 1.00 72.42 H new ATOM 1231 N VAL A 84 3.691 -49.426 -2.476 1.00 35.31 N ATOM 1232 CA VAL A 84 2.925 -49.770 -1.284 1.00 20.14 C ATOM 1233 C VAL A 84 3.591 -49.223 -0.026 1.00 41.12 C ATOM 1234 O VAL A 84 4.783 -48.915 -0.026 1.00 42.45 O ATOM 1235 CB VAL A 84 2.761 -51.295 -1.142 1.00 71.02 C ATOM 1236 CG1 VAL A 84 1.661 -51.624 -0.145 1.00 13.44 C ATOM 1237 CG2 VAL A 84 2.471 -51.927 -2.495 1.00 42.03 C ATOM 0 H VAL A 84 4.443 -50.079 -2.697 1.00 35.31 H new ATOM 0 HA VAL A 84 1.941 -49.315 -1.399 1.00 20.14 H new ATOM 0 HB VAL A 84 3.696 -51.710 -0.765 1.00 71.02 H new ATOM 0 HG11 VAL A 84 1.560 -52.706 -0.058 1.00 13.44 H new ATOM 0 HG12 VAL A 84 1.915 -51.204 0.828 1.00 13.44 H new ATOM 0 HG13 VAL A 84 0.719 -51.198 -0.489 1.00 13.44 H new ATOM 0 HG21 VAL A 84 2.358 -53.005 -2.376 1.00 42.03 H new ATOM 0 HG22 VAL A 84 1.551 -51.508 -2.902 1.00 42.03 H new ATOM 0 HG23 VAL A 84 3.296 -51.722 -3.177 1.00 42.03 H new ATOM 1247 N TYR A 85 2.814 -49.105 1.045 1.00 61.23 N ATOM 1248 CA TYR A 85 3.328 -48.593 2.309 1.00 20.24 C ATOM 1249 C TYR A 85 2.859 -49.455 3.477 1.00 33.43 C ATOM 1250 O TYR A 85 1.758 -50.005 3.455 1.00 35.41 O ATOM 1251 CB TYR A 85 2.880 -47.146 2.517 1.00 0.55 C ATOM 1252 CG TYR A 85 1.665 -47.010 3.407 1.00 11.40 C ATOM 1253 CD1 TYR A 85 0.393 -46.878 2.863 1.00 30.22 C ATOM 1254 CD2 TYR A 85 1.789 -47.011 4.791 1.00 73.42 C ATOM 1255 CE1 TYR A 85 -0.720 -46.753 3.672 1.00 71.01 C ATOM 1256 CE2 TYR A 85 0.681 -46.888 5.607 1.00 21.31 C ATOM 1257 CZ TYR A 85 -0.571 -46.759 5.043 1.00 20.11 C ATOM 1258 OH TYR A 85 -1.677 -46.635 5.853 1.00 44.21 O ATOM 0 H TYR A 85 1.826 -49.357 1.063 1.00 61.23 H new ATOM 0 HA TYR A 85 4.417 -48.627 2.270 1.00 20.24 H new ATOM 0 HB2 TYR A 85 3.703 -46.579 2.951 1.00 0.55 H new ATOM 0 HB3 TYR A 85 2.661 -46.699 1.547 1.00 0.55 H new ATOM 0 HD1 TYR A 85 0.272 -46.873 1.790 1.00 30.22 H new ATOM 0 HD2 TYR A 85 2.768 -47.110 5.236 1.00 73.42 H new ATOM 0 HE1 TYR A 85 -1.702 -46.651 3.233 1.00 71.01 H new ATOM 0 HE2 TYR A 85 0.795 -46.893 6.681 1.00 21.31 H new ATOM 0 HH TYR A 85 -2.405 -46.215 5.350 1.00 44.21 H new ATOM 1268 N VAL A 86 3.703 -49.568 4.498 1.00 71.11 N ATOM 1269 CA VAL A 86 3.376 -50.361 5.677 1.00 73.33 C ATOM 1270 C VAL A 86 3.134 -49.470 6.889 1.00 3.44 C ATOM 1271 O VAL A 86 4.027 -48.744 7.328 1.00 63.40 O ATOM 1272 CB VAL A 86 4.496 -51.365 6.006 1.00 23.33 C ATOM 1273 CG1 VAL A 86 4.121 -52.206 7.217 1.00 2.35 C ATOM 1274 CG2 VAL A 86 4.790 -52.250 4.804 1.00 55.43 C ATOM 0 H VAL A 86 4.619 -49.120 4.532 1.00 71.11 H new ATOM 0 HA VAL A 86 2.463 -50.910 5.446 1.00 73.33 H new ATOM 0 HB VAL A 86 5.400 -50.806 6.247 1.00 23.33 H new ATOM 0 HG11 VAL A 86 4.925 -52.910 7.434 1.00 2.35 H new ATOM 0 HG12 VAL A 86 3.966 -51.556 8.078 1.00 2.35 H new ATOM 0 HG13 VAL A 86 3.204 -52.756 7.008 1.00 2.35 H new ATOM 0 HG21 VAL A 86 5.584 -52.953 5.055 1.00 55.43 H new ATOM 0 HG22 VAL A 86 3.891 -52.801 4.529 1.00 55.43 H new ATOM 0 HG23 VAL A 86 5.106 -51.631 3.965 1.00 55.43 H new ATOM 1284 N VAL A 87 1.921 -49.529 7.428 1.00 14.43 N ATOM 1285 CA VAL A 87 1.561 -48.728 8.592 1.00 2.53 C ATOM 1286 C VAL A 87 2.482 -49.025 9.770 1.00 23.30 C ATOM 1287 O VAL A 87 3.117 -50.078 9.824 1.00 13.11 O ATOM 1288 CB VAL A 87 0.103 -48.980 9.019 1.00 52.12 C ATOM 1289 CG1 VAL A 87 -0.861 -48.350 8.025 1.00 60.02 C ATOM 1290 CG2 VAL A 87 -0.161 -50.472 9.157 1.00 3.34 C ATOM 0 H VAL A 87 1.170 -50.124 7.077 1.00 14.43 H new ATOM 0 HA VAL A 87 1.671 -47.683 8.302 1.00 2.53 H new ATOM 0 HB VAL A 87 -0.058 -48.514 9.991 1.00 52.12 H new ATOM 0 HG11 VAL A 87 -1.886 -48.538 8.343 1.00 60.02 H new ATOM 0 HG12 VAL A 87 -0.687 -47.275 7.980 1.00 60.02 H new ATOM 0 HG13 VAL A 87 -0.702 -48.785 7.038 1.00 60.02 H new ATOM 0 HG21 VAL A 87 -1.196 -50.632 9.459 1.00 3.34 H new ATOM 0 HG22 VAL A 87 0.018 -50.963 8.200 1.00 3.34 H new ATOM 0 HG23 VAL A 87 0.506 -50.891 9.910 1.00 3.34 H new ATOM 1300 N ASN A 88 2.550 -48.090 10.712 1.00 22.43 N ATOM 1301 CA ASN A 88 3.394 -48.253 11.890 1.00 3.45 C ATOM 1302 C ASN A 88 2.748 -47.612 13.115 1.00 41.30 C ATOM 1303 O ASN A 88 2.415 -46.426 13.105 1.00 20.43 O ATOM 1304 CB ASN A 88 4.772 -47.635 11.645 1.00 4.11 C ATOM 1305 CG ASN A 88 5.790 -48.059 12.687 1.00 52.22 C ATOM 1306 OD1 ASN A 88 5.768 -49.192 13.167 1.00 73.11 O ATOM 1307 ND2 ASN A 88 6.688 -47.147 13.041 1.00 22.43 N ATOM 0 H ASN A 88 2.031 -47.212 10.683 1.00 22.43 H new ATOM 0 HA ASN A 88 3.510 -49.320 12.078 1.00 3.45 H new ATOM 0 HB2 ASN A 88 5.126 -47.925 10.656 1.00 4.11 H new ATOM 0 HB3 ASN A 88 4.685 -46.548 11.647 1.00 4.11 H new ATOM 0 HD21 ASN A 88 7.398 -47.374 13.738 1.00 22.43 H new ATOM 0 HD22 ASN A 88 6.668 -46.220 12.616 1.00 22.43 H new