USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 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 -134:sc= 1.22 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -63:sc= 1.26 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.553 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 -37:sc= 0.769 USER MOD Single : A 46 GLN : amide:sc= -8! C(o=-8!,f=-9.8!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -162:sc= 0.107 USER MOD Single : A 57 ASN : amide:sc= -0.78 K(o=-0.78,f=-3.3!) USER MOD Single : A 74 HIS : no HD1:sc= -2.62 K(o=-2.6,f=-3.6!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.264 F(o=-1.8,f=-0.26) USER MOD Single : A 85 TYR OH : rot 165:sc= 0.248 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 14.494 -26.714 2.595 1.00 4.34 N ATOM 195 CA GLU A 15 13.722 -27.276 1.494 1.00 64.14 C ATOM 196 C GLU A 15 12.301 -27.608 1.939 1.00 61.21 C ATOM 197 O GLU A 15 11.876 -27.229 3.031 1.00 44.35 O ATOM 198 CB GLU A 15 14.406 -28.533 0.952 1.00 31.52 C ATOM 199 CG GLU A 15 14.559 -28.540 -0.559 1.00 44.25 C ATOM 200 CD GLU A 15 15.582 -27.532 -1.046 1.00 42.23 C ATOM 201 OE1 GLU A 15 15.348 -26.915 -2.107 1.00 1.13 O ATOM 202 OE2 GLU A 15 16.616 -27.360 -0.368 1.00 23.02 O ATOM 0 HA GLU A 15 13.670 -26.529 0.702 1.00 64.14 H new ATOM 0 HB2 GLU A 15 15.391 -28.626 1.409 1.00 31.52 H new ATOM 0 HB3 GLU A 15 13.831 -29.408 1.254 1.00 31.52 H new ATOM 0 HG2 GLU A 15 14.853 -29.537 -0.886 1.00 44.25 H new ATOM 0 HG3 GLU A 15 13.595 -28.325 -1.019 1.00 44.25 H new ATOM 209 N TYR A 16 11.571 -28.318 1.086 1.00 22.41 N ATOM 210 CA TYR A 16 10.197 -28.699 1.389 1.00 31.53 C ATOM 211 C TYR A 16 9.944 -30.160 1.028 1.00 41.12 C ATOM 212 O TYR A 16 10.843 -30.860 0.560 1.00 1.42 O ATOM 213 CB TYR A 16 9.217 -27.799 0.635 1.00 44.13 C ATOM 214 CG TYR A 16 9.650 -27.485 -0.780 1.00 3.45 C ATOM 215 CD1 TYR A 16 9.481 -28.411 -1.801 1.00 33.52 C ATOM 216 CD2 TYR A 16 10.230 -26.262 -1.094 1.00 54.34 C ATOM 217 CE1 TYR A 16 9.875 -28.129 -3.094 1.00 63.24 C ATOM 218 CE2 TYR A 16 10.626 -25.970 -2.385 1.00 73.33 C ATOM 219 CZ TYR A 16 10.447 -26.907 -3.382 1.00 33.14 C ATOM 220 OH TYR A 16 10.841 -26.621 -4.669 1.00 23.25 O ATOM 0 H TYR A 16 11.908 -28.641 0.179 1.00 22.41 H new ATOM 0 HA TYR A 16 10.041 -28.576 2.461 1.00 31.53 H new ATOM 0 HB2 TYR A 16 8.240 -28.282 0.609 1.00 44.13 H new ATOM 0 HB3 TYR A 16 9.097 -26.866 1.185 1.00 44.13 H new ATOM 0 HD1 TYR A 16 9.033 -29.369 -1.580 1.00 33.52 H new ATOM 0 HD2 TYR A 16 10.374 -25.527 -0.316 1.00 54.34 H new ATOM 0 HE1 TYR A 16 9.736 -28.861 -3.876 1.00 63.24 H new ATOM 0 HE2 TYR A 16 11.073 -25.014 -2.613 1.00 73.33 H new ATOM 0 HH TYR A 16 11.223 -25.719 -4.701 1.00 23.25 H new ATOM 230 N ILE A 17 8.714 -30.613 1.247 1.00 4.45 N ATOM 231 CA ILE A 17 8.342 -31.989 0.944 1.00 53.44 C ATOM 232 C ILE A 17 7.216 -32.039 -0.084 1.00 31.24 C ATOM 233 O ILE A 17 6.148 -31.463 0.122 1.00 12.21 O ATOM 234 CB ILE A 17 7.900 -32.745 2.210 1.00 20.04 C ATOM 235 CG1 ILE A 17 7.312 -34.108 1.838 1.00 2.32 C ATOM 236 CG2 ILE A 17 6.888 -31.922 2.993 1.00 3.42 C ATOM 237 CD1 ILE A 17 6.985 -34.972 3.036 1.00 73.04 C ATOM 0 H ILE A 17 7.958 -30.047 1.633 1.00 4.45 H new ATOM 0 HA ILE A 17 9.228 -32.473 0.534 1.00 53.44 H new ATOM 0 HB ILE A 17 8.774 -32.907 2.841 1.00 20.04 H new ATOM 0 HG12 ILE A 17 6.406 -33.956 1.252 1.00 2.32 H new ATOM 0 HG13 ILE A 17 8.019 -34.638 1.200 1.00 2.32 H new ATOM 0 HG21 ILE A 17 6.585 -32.470 3.885 1.00 3.42 H new ATOM 0 HG22 ILE A 17 7.339 -30.974 3.285 1.00 3.42 H new ATOM 0 HG23 ILE A 17 6.014 -31.732 2.370 1.00 3.42 H new ATOM 0 HD11 ILE A 17 6.572 -35.922 2.697 1.00 73.04 H new ATOM 0 HD12 ILE A 17 7.893 -35.155 3.611 1.00 73.04 H new ATOM 0 HD13 ILE A 17 6.254 -34.462 3.664 1.00 73.04 H new ATOM 249 N ARG A 18 7.462 -32.734 -1.189 1.00 61.24 N ATOM 250 CA ARG A 18 6.469 -32.861 -2.249 1.00 71.01 C ATOM 251 C ARG A 18 5.996 -34.306 -2.381 1.00 13.34 C ATOM 252 O ARG A 18 6.710 -35.158 -2.908 1.00 20.50 O ATOM 253 CB ARG A 18 7.048 -32.380 -3.581 1.00 2.44 C ATOM 254 CG ARG A 18 6.495 -31.039 -4.036 1.00 70.45 C ATOM 255 CD ARG A 18 6.176 -31.045 -5.523 1.00 42.03 C ATOM 256 NE ARG A 18 7.286 -30.532 -6.323 1.00 34.41 N ATOM 257 CZ ARG A 18 7.202 -30.292 -7.627 1.00 1.54 C ATOM 258 NH1 ARG A 18 6.067 -30.515 -8.274 1.00 70.21 N ATOM 259 NH2 ARG A 18 8.256 -29.825 -8.285 1.00 75.42 N ATOM 0 H ARG A 18 8.341 -33.218 -1.374 1.00 61.24 H new ATOM 0 HA ARG A 18 5.614 -32.239 -1.986 1.00 71.01 H new ATOM 0 HB2 ARG A 18 8.132 -32.305 -3.491 1.00 2.44 H new ATOM 0 HB3 ARG A 18 6.843 -33.127 -4.348 1.00 2.44 H new ATOM 0 HG2 ARG A 18 5.593 -30.805 -3.470 1.00 70.45 H new ATOM 0 HG3 ARG A 18 7.219 -30.253 -3.821 1.00 70.45 H new ATOM 0 HD2 ARG A 18 5.941 -32.061 -5.839 1.00 42.03 H new ATOM 0 HD3 ARG A 18 5.288 -30.440 -5.706 1.00 42.03 H new ATOM 0 HE ARG A 18 8.173 -30.348 -5.855 1.00 34.41 H new ATOM 0 HH11 ARG A 18 5.255 -30.872 -7.771 1.00 70.21 H new ATOM 0 HH12 ARG A 18 6.006 -30.330 -9.275 1.00 70.21 H new ATOM 0 HH21 ARG A 18 9.130 -29.650 -7.789 1.00 75.42 H new ATOM 0 HH22 ARG A 18 8.192 -29.641 -9.286 1.00 75.42 H new ATOM 273 N VAL A 19 4.787 -34.574 -1.897 1.00 12.51 N ATOM 274 CA VAL A 19 4.218 -35.914 -1.961 1.00 33.33 C ATOM 275 C VAL A 19 2.699 -35.861 -2.080 1.00 33.43 C ATOM 276 O VAL A 19 2.066 -34.887 -1.670 1.00 73.55 O ATOM 277 CB VAL A 19 4.596 -36.744 -0.720 1.00 31.25 C ATOM 278 CG1 VAL A 19 6.030 -37.240 -0.825 1.00 72.54 C ATOM 279 CG2 VAL A 19 4.398 -35.927 0.548 1.00 42.40 C ATOM 0 H VAL A 19 4.183 -33.880 -1.456 1.00 12.51 H new ATOM 0 HA VAL A 19 4.633 -36.392 -2.849 1.00 33.33 H new ATOM 0 HB VAL A 19 3.939 -37.612 -0.672 1.00 31.25 H new ATOM 0 HG11 VAL A 19 6.279 -37.824 0.061 1.00 72.54 H new ATOM 0 HG12 VAL A 19 6.135 -37.864 -1.713 1.00 72.54 H new ATOM 0 HG13 VAL A 19 6.705 -36.388 -0.899 1.00 72.54 H new ATOM 0 HG21 VAL A 19 4.670 -36.529 1.415 1.00 42.40 H new ATOM 0 HG22 VAL A 19 5.029 -35.039 0.511 1.00 42.40 H new ATOM 0 HG23 VAL A 19 3.353 -35.627 0.628 1.00 42.40 H new ATOM 289 N THR A 20 2.117 -36.916 -2.643 1.00 25.32 N ATOM 290 CA THR A 20 0.672 -36.991 -2.817 1.00 4.44 C ATOM 291 C THR A 20 0.104 -38.245 -2.164 1.00 71.41 C ATOM 292 O THR A 20 0.767 -39.281 -2.107 1.00 52.53 O ATOM 293 CB THR A 20 0.285 -36.980 -4.307 1.00 73.23 C ATOM 294 OG1 THR A 20 -1.046 -37.484 -4.471 1.00 1.51 O ATOM 295 CG2 THR A 20 1.254 -37.821 -5.125 1.00 3.55 C ATOM 0 H THR A 20 2.625 -37.731 -2.986 1.00 25.32 H new ATOM 0 HA THR A 20 0.249 -36.111 -2.333 1.00 4.44 H new ATOM 0 HB THR A 20 0.331 -35.951 -4.663 1.00 73.23 H new ATOM 0 HG1 THR A 20 -1.062 -38.132 -5.206 1.00 1.51 H new ATOM 0 HG21 THR A 20 0.960 -37.798 -6.174 1.00 3.55 H new ATOM 0 HG22 THR A 20 2.262 -37.419 -5.022 1.00 3.55 H new ATOM 0 HG23 THR A 20 1.236 -38.850 -4.766 1.00 3.55 H new ATOM 303 N GLU A 21 -1.128 -38.146 -1.674 1.00 3.25 N ATOM 304 CA GLU A 21 -1.784 -39.275 -1.025 1.00 14.53 C ATOM 305 C GLU A 21 -2.274 -40.286 -2.057 1.00 65.31 C ATOM 306 O GLU A 21 -2.074 -41.491 -1.904 1.00 34.43 O ATOM 307 CB GLU A 21 -2.960 -38.789 -0.174 1.00 24.03 C ATOM 308 CG GLU A 21 -3.371 -39.769 0.912 1.00 23.21 C ATOM 309 CD GLU A 21 -4.836 -40.151 0.829 1.00 62.20 C ATOM 310 OE1 GLU A 21 -5.161 -41.320 1.126 1.00 13.35 O ATOM 311 OE2 GLU A 21 -5.656 -39.283 0.466 1.00 14.34 O ATOM 0 H GLU A 21 -1.691 -37.297 -1.714 1.00 3.25 H new ATOM 0 HA GLU A 21 -1.054 -39.764 -0.380 1.00 14.53 H new ATOM 0 HB2 GLU A 21 -2.695 -37.838 0.288 1.00 24.03 H new ATOM 0 HB3 GLU A 21 -3.814 -38.600 -0.824 1.00 24.03 H new ATOM 0 HG2 GLU A 21 -2.760 -40.668 0.835 1.00 23.21 H new ATOM 0 HG3 GLU A 21 -3.169 -39.329 1.889 1.00 23.21 H new ATOM 318 N ASP A 22 -2.915 -39.787 -3.108 1.00 22.10 N ATOM 319 CA ASP A 22 -3.433 -40.646 -4.167 1.00 25.14 C ATOM 320 C ASP A 22 -2.543 -40.580 -5.404 1.00 40.31 C ATOM 321 O ASP A 22 -2.005 -39.524 -5.737 1.00 22.32 O ATOM 322 CB ASP A 22 -4.862 -40.240 -4.529 1.00 31.35 C ATOM 323 CG ASP A 22 -5.874 -40.705 -3.499 1.00 42.43 C ATOM 324 OD1 ASP A 22 -6.688 -39.871 -3.049 1.00 60.11 O ATOM 325 OD2 ASP A 22 -5.852 -41.902 -3.145 1.00 11.43 O ATOM 0 H ASP A 22 -3.089 -38.792 -3.250 1.00 22.10 H new ATOM 0 HA ASP A 22 -3.438 -41.672 -3.799 1.00 25.14 H new ATOM 0 HB2 ASP A 22 -4.916 -39.155 -4.623 1.00 31.35 H new ATOM 0 HB3 ASP A 22 -5.120 -40.658 -5.502 1.00 31.35 H new ATOM 330 N GLU A 23 -2.393 -41.714 -6.081 1.00 21.25 N ATOM 331 CA GLU A 23 -1.567 -41.784 -7.280 1.00 63.10 C ATOM 332 C GLU A 23 -2.135 -40.897 -8.384 1.00 62.44 C ATOM 333 O GLU A 23 -1.390 -40.314 -9.171 1.00 73.21 O ATOM 334 CB GLU A 23 -1.465 -43.229 -7.773 1.00 20.13 C ATOM 335 CG GLU A 23 -2.781 -43.792 -8.284 1.00 4.12 C ATOM 336 CD GLU A 23 -2.823 -45.307 -8.241 1.00 22.11 C ATOM 337 OE1 GLU A 23 -3.666 -45.856 -7.501 1.00 12.32 O ATOM 338 OE2 GLU A 23 -2.013 -45.944 -8.947 1.00 32.05 O ATOM 0 H GLU A 23 -2.833 -42.596 -5.819 1.00 21.25 H new ATOM 0 HA GLU A 23 -0.570 -41.424 -7.025 1.00 63.10 H new ATOM 0 HB2 GLU A 23 -0.723 -43.281 -8.570 1.00 20.13 H new ATOM 0 HB3 GLU A 23 -1.102 -43.857 -6.959 1.00 20.13 H new ATOM 0 HG2 GLU A 23 -3.600 -43.392 -7.685 1.00 4.12 H new ATOM 0 HG3 GLU A 23 -2.942 -43.457 -9.309 1.00 4.12 H new ATOM 345 N ASN A 24 -3.460 -40.802 -8.436 1.00 25.11 N ATOM 346 CA ASN A 24 -4.129 -39.988 -9.444 1.00 44.01 C ATOM 347 C ASN A 24 -4.012 -38.504 -9.110 1.00 12.12 C ATOM 348 O ASN A 24 -4.031 -37.653 -10.000 1.00 23.33 O ATOM 349 CB ASN A 24 -5.603 -40.384 -9.553 1.00 45.42 C ATOM 350 CG ASN A 24 -5.861 -41.341 -10.701 1.00 2.14 C ATOM 351 OD1 ASN A 24 -6.072 -40.921 -11.838 1.00 54.04 O ATOM 352 ND2 ASN A 24 -5.845 -42.636 -10.406 1.00 2.42 N ATOM 0 H ASN A 24 -4.091 -41.279 -7.792 1.00 25.11 H new ATOM 0 HA ASN A 24 -3.640 -40.166 -10.402 1.00 44.01 H new ATOM 0 HB2 ASN A 24 -5.922 -40.847 -8.619 1.00 45.42 H new ATOM 0 HB3 ASN A 24 -6.208 -39.488 -9.688 1.00 45.42 H new ATOM 0 HD21 ASN A 24 -6.012 -43.328 -11.137 1.00 2.42 H new ATOM 0 HD22 ASN A 24 -5.666 -42.939 -9.449 1.00 2.42 H new ATOM 359 N ASP A 25 -3.892 -38.201 -7.822 1.00 62.10 N ATOM 360 CA ASP A 25 -3.770 -36.820 -7.369 1.00 75.15 C ATOM 361 C ASP A 25 -2.363 -36.287 -7.621 1.00 32.52 C ATOM 362 O ASP A 25 -1.395 -37.047 -7.634 1.00 35.33 O ATOM 363 CB ASP A 25 -4.110 -36.717 -5.882 1.00 12.32 C ATOM 364 CG ASP A 25 -3.861 -35.328 -5.326 1.00 61.50 C ATOM 365 OD1 ASP A 25 -3.107 -35.211 -4.337 1.00 31.51 O ATOM 366 OD2 ASP A 25 -4.419 -34.359 -5.881 1.00 3.23 O ATOM 0 H ASP A 25 -3.877 -38.893 -7.073 1.00 62.10 H new ATOM 0 HA ASP A 25 -4.475 -36.214 -7.937 1.00 75.15 H new ATOM 0 HB2 ASP A 25 -5.156 -36.983 -5.732 1.00 12.32 H new ATOM 0 HB3 ASP A 25 -3.514 -37.440 -5.325 1.00 12.32 H new ATOM 371 N GLU A 26 -2.259 -34.977 -7.821 1.00 23.40 N ATOM 372 CA GLU A 26 -0.970 -34.344 -8.074 1.00 24.51 C ATOM 373 C GLU A 26 -0.153 -34.241 -6.789 1.00 62.11 C ATOM 374 O GLU A 26 -0.692 -34.191 -5.683 1.00 42.13 O ATOM 375 CB GLU A 26 -1.169 -32.953 -8.678 1.00 14.35 C ATOM 376 CG GLU A 26 -1.811 -32.973 -10.055 1.00 22.02 C ATOM 377 CD GLU A 26 -2.675 -31.754 -10.314 1.00 33.42 C ATOM 378 OE1 GLU A 26 -2.123 -30.714 -10.729 1.00 13.33 O ATOM 379 OE2 GLU A 26 -3.903 -31.841 -10.101 1.00 43.15 O ATOM 0 H GLU A 26 -3.051 -34.334 -7.813 1.00 23.40 H new ATOM 0 HA GLU A 26 -0.423 -34.965 -8.783 1.00 24.51 H new ATOM 0 HB2 GLU A 26 -1.789 -32.360 -8.006 1.00 14.35 H new ATOM 0 HB3 GLU A 26 -0.203 -32.453 -8.744 1.00 14.35 H new ATOM 0 HG2 GLU A 26 -1.031 -33.029 -10.814 1.00 22.02 H new ATOM 0 HG3 GLU A 26 -2.419 -33.872 -10.155 1.00 22.02 H new ATOM 386 N PRO A 27 1.180 -34.209 -6.937 1.00 30.23 N ATOM 387 CA PRO A 27 2.100 -34.112 -5.800 1.00 3.32 C ATOM 388 C PRO A 27 2.044 -32.746 -5.124 1.00 42.00 C ATOM 389 O PRO A 27 2.568 -31.762 -5.647 1.00 62.25 O ATOM 390 CB PRO A 27 3.474 -34.338 -6.435 1.00 43.24 C ATOM 391 CG PRO A 27 3.308 -33.921 -7.856 1.00 72.40 C ATOM 392 CD PRO A 27 1.891 -34.265 -8.225 1.00 21.21 C ATOM 0 HA PRO A 27 1.855 -34.828 -5.015 1.00 3.32 H new ATOM 0 HB2 PRO A 27 4.243 -33.747 -5.936 1.00 43.24 H new ATOM 0 HB3 PRO A 27 3.777 -35.382 -6.362 1.00 43.24 H new ATOM 0 HG2 PRO A 27 3.494 -32.853 -7.974 1.00 72.40 H new ATOM 0 HG3 PRO A 27 4.017 -34.441 -8.501 1.00 72.40 H new ATOM 0 HD2 PRO A 27 1.479 -33.555 -8.943 1.00 21.21 H new ATOM 0 HD3 PRO A 27 1.823 -35.254 -8.679 1.00 21.21 H new ATOM 400 N ILE A 28 1.407 -32.693 -3.960 1.00 15.05 N ATOM 401 CA ILE A 28 1.284 -31.448 -3.212 1.00 41.52 C ATOM 402 C ILE A 28 2.567 -31.136 -2.449 1.00 31.22 C ATOM 403 O ILE A 28 3.209 -32.033 -1.904 1.00 64.22 O ATOM 404 CB ILE A 28 0.109 -31.501 -2.218 1.00 53.55 C ATOM 405 CG1 ILE A 28 -0.016 -30.171 -1.472 1.00 35.05 C ATOM 406 CG2 ILE A 28 0.295 -32.649 -1.239 1.00 31.34 C ATOM 407 CD1 ILE A 28 -0.335 -28.999 -2.373 1.00 60.02 C ATOM 0 H ILE A 28 0.968 -33.498 -3.514 1.00 15.05 H new ATOM 0 HA ILE A 28 1.096 -30.660 -3.941 1.00 41.52 H new ATOM 0 HB ILE A 28 -0.812 -31.671 -2.775 1.00 53.55 H new ATOM 0 HG12 ILE A 28 -0.796 -30.260 -0.716 1.00 35.05 H new ATOM 0 HG13 ILE A 28 0.917 -29.970 -0.945 1.00 35.05 H new ATOM 0 HG21 ILE A 28 -0.544 -32.673 -0.543 1.00 31.34 H new ATOM 0 HG22 ILE A 28 0.339 -33.590 -1.786 1.00 31.34 H new ATOM 0 HG23 ILE A 28 1.223 -32.508 -0.685 1.00 31.34 H new ATOM 0 HD11 ILE A 28 -0.409 -28.090 -1.776 1.00 60.02 H new ATOM 0 HD12 ILE A 28 0.456 -28.883 -3.113 1.00 60.02 H new ATOM 0 HD13 ILE A 28 -1.283 -29.178 -2.880 1.00 60.02 H new ATOM 419 N GLU A 29 2.932 -29.858 -2.412 1.00 62.54 N ATOM 420 CA GLU A 29 4.138 -29.429 -1.714 1.00 62.13 C ATOM 421 C GLU A 29 3.789 -28.749 -0.394 1.00 3.43 C ATOM 422 O GLU A 29 2.894 -27.905 -0.336 1.00 32.44 O ATOM 423 CB GLU A 29 4.951 -28.476 -2.593 1.00 12.41 C ATOM 424 CG GLU A 29 4.332 -27.094 -2.726 1.00 23.13 C ATOM 425 CD GLU A 29 5.105 -26.198 -3.674 1.00 12.32 C ATOM 426 OE1 GLU A 29 6.351 -26.178 -3.588 1.00 33.21 O ATOM 427 OE2 GLU A 29 4.464 -25.516 -4.501 1.00 4.22 O ATOM 0 H GLU A 29 2.410 -29.103 -2.857 1.00 62.54 H new ATOM 0 HA GLU A 29 4.738 -30.314 -1.499 1.00 62.13 H new ATOM 0 HB2 GLU A 29 5.954 -28.377 -2.177 1.00 12.41 H new ATOM 0 HB3 GLU A 29 5.059 -28.914 -3.585 1.00 12.41 H new ATOM 0 HG2 GLU A 29 3.306 -27.192 -3.080 1.00 23.13 H new ATOM 0 HG3 GLU A 29 4.287 -26.624 -1.744 1.00 23.13 H new ATOM 434 N ILE A 30 4.502 -29.122 0.664 1.00 43.44 N ATOM 435 CA ILE A 30 4.269 -28.547 1.983 1.00 72.51 C ATOM 436 C ILE A 30 5.561 -28.004 2.583 1.00 63.34 C ATOM 437 O ILE A 30 6.655 -28.506 2.322 1.00 71.03 O ATOM 438 CB ILE A 30 3.664 -29.583 2.949 1.00 73.44 C ATOM 439 CG1 ILE A 30 3.692 -30.978 2.319 1.00 42.42 C ATOM 440 CG2 ILE A 30 2.241 -29.193 3.320 1.00 30.24 C ATOM 441 CD1 ILE A 30 3.380 -32.089 3.297 1.00 53.35 C ATOM 0 H ILE A 30 5.245 -29.820 0.633 1.00 43.44 H new ATOM 0 HA ILE A 30 3.562 -27.729 1.850 1.00 72.51 H new ATOM 0 HB ILE A 30 4.264 -29.603 3.859 1.00 73.44 H new ATOM 0 HG12 ILE A 30 2.973 -31.013 1.501 1.00 42.42 H new ATOM 0 HG13 ILE A 30 4.677 -31.152 1.886 1.00 42.42 H new ATOM 0 HG21 ILE A 30 1.827 -29.935 4.003 1.00 30.24 H new ATOM 0 HG22 ILE A 30 2.246 -28.216 3.804 1.00 30.24 H new ATOM 0 HG23 ILE A 30 1.629 -29.148 2.419 1.00 30.24 H new ATOM 0 HD11 ILE A 30 3.418 -33.049 2.782 1.00 53.35 H new ATOM 0 HD12 ILE A 30 4.114 -32.081 4.103 1.00 53.35 H new ATOM 0 HD13 ILE A 30 2.383 -31.939 3.712 1.00 53.35 H new ATOM 453 N PRO A 31 5.435 -26.954 3.408 1.00 62.41 N ATOM 454 CA PRO A 31 6.583 -26.321 4.064 1.00 32.34 C ATOM 455 C PRO A 31 7.203 -27.213 5.135 1.00 51.12 C ATOM 456 O PRO A 31 6.563 -27.533 6.137 1.00 42.33 O ATOM 457 CB PRO A 31 5.980 -25.065 4.698 1.00 22.02 C ATOM 458 CG PRO A 31 4.542 -25.395 4.900 1.00 74.23 C ATOM 459 CD PRO A 31 4.163 -26.305 3.764 1.00 35.01 C ATOM 0 HA PRO A 31 7.391 -26.115 3.362 1.00 32.34 H new ATOM 0 HB2 PRO A 31 6.468 -24.826 5.643 1.00 22.02 H new ATOM 0 HB3 PRO A 31 6.100 -24.198 4.049 1.00 22.02 H new ATOM 0 HG2 PRO A 31 4.385 -25.884 5.861 1.00 74.23 H new ATOM 0 HG3 PRO A 31 3.930 -24.493 4.898 1.00 74.23 H new ATOM 0 HD2 PRO A 31 3.411 -27.034 4.067 1.00 35.01 H new ATOM 0 HD3 PRO A 31 3.747 -25.748 2.924 1.00 35.01 H new ATOM 467 N SER A 32 8.452 -27.611 4.916 1.00 2.22 N ATOM 468 CA SER A 32 9.158 -28.469 5.861 1.00 14.31 C ATOM 469 C SER A 32 10.049 -27.643 6.784 1.00 51.12 C ATOM 470 O SER A 32 10.047 -26.414 6.728 1.00 10.34 O ATOM 471 CB SER A 32 9.999 -29.504 5.112 1.00 3.25 C ATOM 472 OG SER A 32 11.295 -29.002 4.834 1.00 60.42 O ATOM 0 H SER A 32 8.996 -27.353 4.093 1.00 2.22 H new ATOM 0 HA SER A 32 8.416 -28.986 6.469 1.00 14.31 H new ATOM 0 HB2 SER A 32 10.078 -30.413 5.708 1.00 3.25 H new ATOM 0 HB3 SER A 32 9.503 -29.775 4.180 1.00 3.25 H new ATOM 0 HG SER A 32 11.225 -28.226 4.239 1.00 60.42 H new ATOM 478 N GLU A 33 10.809 -28.329 7.631 1.00 3.14 N ATOM 479 CA GLU A 33 11.705 -27.659 8.567 1.00 50.00 C ATOM 480 C GLU A 33 13.068 -27.407 7.929 1.00 2.13 C ATOM 481 O GLU A 33 13.367 -27.924 6.852 1.00 12.54 O ATOM 482 CB GLU A 33 11.871 -28.496 9.837 1.00 32.10 C ATOM 483 CG GLU A 33 11.782 -27.683 11.118 1.00 74.33 C ATOM 484 CD GLU A 33 11.931 -28.537 12.362 1.00 5.10 C ATOM 485 OE1 GLU A 33 12.217 -27.971 13.438 1.00 11.21 O ATOM 486 OE2 GLU A 33 11.764 -29.770 12.260 1.00 31.01 O ATOM 0 H GLU A 33 10.823 -29.347 7.689 1.00 3.14 H new ATOM 0 HA GLU A 33 11.262 -26.698 8.829 1.00 50.00 H new ATOM 0 HB2 GLU A 33 11.104 -29.271 9.854 1.00 32.10 H new ATOM 0 HB3 GLU A 33 12.835 -29.003 9.805 1.00 32.10 H new ATOM 0 HG2 GLU A 33 12.558 -26.917 11.113 1.00 74.33 H new ATOM 0 HG3 GLU A 33 10.823 -27.166 11.150 1.00 74.33 H new ATOM 493 N ASP A 34 13.891 -26.609 8.602 1.00 74.15 N ATOM 494 CA ASP A 34 15.223 -26.288 8.102 1.00 55.00 C ATOM 495 C ASP A 34 16.139 -27.505 8.176 1.00 31.34 C ATOM 496 O ASP A 34 16.990 -27.708 7.310 1.00 12.00 O ATOM 497 CB ASP A 34 15.825 -25.131 8.901 1.00 72.03 C ATOM 498 CG ASP A 34 16.250 -25.549 10.294 1.00 21.35 C ATOM 499 OD1 ASP A 34 17.460 -25.781 10.502 1.00 51.53 O ATOM 500 OD2 ASP A 34 15.373 -25.645 11.178 1.00 3.43 O ATOM 0 H ASP A 34 13.659 -26.173 9.494 1.00 74.15 H new ATOM 0 HA ASP A 34 15.130 -25.989 7.058 1.00 55.00 H new ATOM 0 HB2 ASP A 34 16.687 -24.733 8.365 1.00 72.03 H new ATOM 0 HB3 ASP A 34 15.095 -24.325 8.974 1.00 72.03 H new ATOM 505 N ASP A 35 15.960 -28.311 9.217 1.00 72.30 N ATOM 506 CA ASP A 35 16.770 -29.509 9.405 1.00 44.11 C ATOM 507 C ASP A 35 16.548 -30.500 8.267 1.00 50.13 C ATOM 508 O ASP A 35 17.375 -31.377 8.023 1.00 23.33 O ATOM 509 CB ASP A 35 16.440 -30.169 10.744 1.00 21.24 C ATOM 510 CG ASP A 35 17.625 -30.911 11.332 1.00 13.21 C ATOM 511 OD1 ASP A 35 18.484 -30.255 11.958 1.00 21.42 O ATOM 512 OD2 ASP A 35 17.692 -32.147 11.167 1.00 51.54 O ATOM 0 H ASP A 35 15.261 -28.156 9.944 1.00 72.30 H new ATOM 0 HA ASP A 35 17.819 -29.212 9.404 1.00 44.11 H new ATOM 0 HB2 ASP A 35 16.106 -29.407 11.449 1.00 21.24 H new ATOM 0 HB3 ASP A 35 15.611 -30.864 10.609 1.00 21.24 H new ATOM 517 N GLY A 36 15.423 -30.354 7.573 1.00 43.45 N ATOM 518 CA GLY A 36 15.112 -31.243 6.469 1.00 35.32 C ATOM 519 C GLY A 36 13.852 -32.051 6.714 1.00 42.34 C ATOM 520 O GLY A 36 13.140 -32.406 5.773 1.00 3.24 O ATOM 0 H GLY A 36 14.722 -29.636 7.756 1.00 43.45 H new ATOM 0 HA2 GLY A 36 14.993 -30.658 5.557 1.00 35.32 H new ATOM 0 HA3 GLY A 36 15.949 -31.921 6.306 1.00 35.32 H new ATOM 524 N THR A 37 13.575 -32.344 7.980 1.00 25.14 N ATOM 525 CA THR A 37 12.395 -33.117 8.346 1.00 63.33 C ATOM 526 C THR A 37 11.122 -32.304 8.145 1.00 34.22 C ATOM 527 O THR A 37 11.154 -31.210 7.583 1.00 51.51 O ATOM 528 CB THR A 37 12.464 -33.589 9.810 1.00 22.53 C ATOM 529 OG1 THR A 37 12.370 -32.465 10.692 1.00 21.43 O ATOM 530 CG2 THR A 37 13.759 -34.342 10.076 1.00 44.01 C ATOM 0 H THR A 37 14.153 -32.057 8.770 1.00 25.14 H new ATOM 0 HA THR A 37 12.373 -33.989 7.692 1.00 63.33 H new ATOM 0 HB THR A 37 11.627 -34.263 9.991 1.00 22.53 H new ATOM 0 HG1 THR A 37 12.989 -32.585 11.442 1.00 21.43 H new ATOM 0 HG21 THR A 37 13.785 -34.665 11.117 1.00 44.01 H new ATOM 0 HG22 THR A 37 13.814 -35.214 9.424 1.00 44.01 H new ATOM 0 HG23 THR A 37 14.608 -33.687 9.878 1.00 44.01 H new ATOM 538 N VAL A 38 10.000 -32.846 8.609 1.00 11.03 N ATOM 539 CA VAL A 38 8.715 -32.169 8.482 1.00 34.44 C ATOM 540 C VAL A 38 7.907 -32.278 9.771 1.00 72.13 C ATOM 541 O VAL A 38 7.836 -33.344 10.384 1.00 75.12 O ATOM 542 CB VAL A 38 7.887 -32.750 7.320 1.00 2.31 C ATOM 543 CG1 VAL A 38 6.478 -32.177 7.330 1.00 71.52 C ATOM 544 CG2 VAL A 38 8.573 -32.477 5.990 1.00 2.20 C ATOM 0 H VAL A 38 9.955 -33.752 9.076 1.00 11.03 H new ATOM 0 HA VAL A 38 8.929 -31.120 8.277 1.00 34.44 H new ATOM 0 HB VAL A 38 7.815 -33.830 7.451 1.00 2.31 H new ATOM 0 HG11 VAL A 38 5.908 -32.599 6.502 1.00 71.52 H new ATOM 0 HG12 VAL A 38 5.990 -32.428 8.272 1.00 71.52 H new ATOM 0 HG13 VAL A 38 6.525 -31.093 7.223 1.00 71.52 H new ATOM 0 HG21 VAL A 38 7.975 -32.894 5.180 1.00 2.20 H new ATOM 0 HG22 VAL A 38 8.677 -31.401 5.848 1.00 2.20 H new ATOM 0 HG23 VAL A 38 9.560 -32.940 5.988 1.00 2.20 H new ATOM 554 N LEU A 39 7.299 -31.169 10.176 1.00 12.15 N ATOM 555 CA LEU A 39 6.494 -31.139 11.393 1.00 42.31 C ATOM 556 C LEU A 39 5.188 -31.903 11.201 1.00 51.51 C ATOM 557 O LEU A 39 4.484 -31.710 10.209 1.00 72.23 O ATOM 558 CB LEU A 39 6.198 -29.693 11.796 1.00 24.25 C ATOM 559 CG LEU A 39 6.710 -29.262 13.171 1.00 3.13 C ATOM 560 CD1 LEU A 39 5.992 -30.027 14.272 1.00 0.43 C ATOM 561 CD2 LEU A 39 8.215 -29.469 13.269 1.00 34.44 C ATOM 0 H LEU A 39 7.348 -30.279 9.680 1.00 12.15 H new ATOM 0 HA LEU A 39 7.062 -31.622 12.188 1.00 42.31 H new ATOM 0 HB2 LEU A 39 6.631 -29.032 11.045 1.00 24.25 H new ATOM 0 HB3 LEU A 39 5.119 -29.543 11.769 1.00 24.25 H new ATOM 0 HG LEU A 39 6.500 -28.200 13.299 1.00 3.13 H new ATOM 0 HD11 LEU A 39 6.370 -29.707 15.243 1.00 0.43 H new ATOM 0 HD12 LEU A 39 4.922 -29.828 14.215 1.00 0.43 H new ATOM 0 HD13 LEU A 39 6.169 -31.095 14.148 1.00 0.43 H new ATOM 0 HD21 LEU A 39 8.562 -29.157 14.254 1.00 34.44 H new ATOM 0 HD22 LEU A 39 8.448 -30.523 13.120 1.00 34.44 H new ATOM 0 HD23 LEU A 39 8.715 -28.875 12.504 1.00 34.44 H new ATOM 573 N LEU A 40 4.869 -32.768 12.157 1.00 52.11 N ATOM 574 CA LEU A 40 3.645 -33.560 12.095 1.00 41.23 C ATOM 575 C LEU A 40 2.437 -32.673 11.812 1.00 74.24 C ATOM 576 O LEU A 40 1.524 -33.064 11.084 1.00 62.34 O ATOM 577 CB LEU A 40 3.439 -34.319 13.406 1.00 34.43 C ATOM 578 CG LEU A 40 2.809 -35.707 13.286 1.00 74.50 C ATOM 579 CD1 LEU A 40 2.572 -36.307 14.663 1.00 31.42 C ATOM 580 CD2 LEU A 40 1.506 -35.636 12.502 1.00 2.13 C ATOM 0 H LEU A 40 5.440 -32.939 12.984 1.00 52.11 H new ATOM 0 HA LEU A 40 3.745 -34.276 11.280 1.00 41.23 H new ATOM 0 HB2 LEU A 40 4.406 -34.422 13.899 1.00 34.43 H new ATOM 0 HB3 LEU A 40 2.812 -33.712 14.059 1.00 34.43 H new ATOM 0 HG LEU A 40 3.501 -36.353 12.745 1.00 74.50 H new ATOM 0 HD11 LEU A 40 2.123 -37.295 14.557 1.00 31.42 H new ATOM 0 HD12 LEU A 40 3.522 -36.395 15.190 1.00 31.42 H new ATOM 0 HD13 LEU A 40 1.901 -35.662 15.230 1.00 31.42 H new ATOM 0 HD21 LEU A 40 1.072 -36.633 12.427 1.00 2.13 H new ATOM 0 HD22 LEU A 40 0.808 -34.974 13.015 1.00 2.13 H new ATOM 0 HD23 LEU A 40 1.704 -35.250 11.502 1.00 2.13 H new ATOM 592 N SER A 41 2.438 -31.477 12.390 1.00 4.43 N ATOM 593 CA SER A 41 1.341 -30.535 12.202 1.00 44.45 C ATOM 594 C SER A 41 1.090 -30.283 10.718 1.00 64.22 C ATOM 595 O SER A 41 -0.051 -30.113 10.289 1.00 53.14 O ATOM 596 CB SER A 41 1.648 -29.214 12.910 1.00 41.55 C ATOM 597 OG SER A 41 1.673 -29.383 14.316 1.00 11.43 O ATOM 0 H SER A 41 3.187 -31.137 12.993 1.00 4.43 H new ATOM 0 HA SER A 41 0.442 -30.971 12.636 1.00 44.45 H new ATOM 0 HB2 SER A 41 2.610 -28.830 12.570 1.00 41.55 H new ATOM 0 HB3 SER A 41 0.896 -28.471 12.643 1.00 41.55 H new ATOM 0 HG SER A 41 1.873 -28.525 14.745 1.00 11.43 H new ATOM 603 N THR A 42 2.166 -30.261 9.937 1.00 25.24 N ATOM 604 CA THR A 42 2.065 -30.030 8.502 1.00 1.41 C ATOM 605 C THR A 42 1.486 -31.246 7.788 1.00 1.25 C ATOM 606 O THR A 42 0.671 -31.113 6.875 1.00 3.22 O ATOM 607 CB THR A 42 3.438 -29.694 7.889 1.00 54.12 C ATOM 608 OG1 THR A 42 3.957 -28.496 8.476 1.00 12.41 O ATOM 609 CG2 THR A 42 3.329 -29.520 6.381 1.00 31.24 C ATOM 0 H THR A 42 3.118 -30.401 10.275 1.00 25.24 H new ATOM 0 HA THR A 42 1.396 -29.180 8.365 1.00 1.41 H new ATOM 0 HB THR A 42 4.116 -30.522 8.096 1.00 54.12 H new ATOM 0 HG1 THR A 42 4.831 -28.291 8.082 1.00 12.41 H new ATOM 0 HG21 THR A 42 4.310 -29.283 5.970 1.00 31.24 H new ATOM 0 HG22 THR A 42 2.962 -30.444 5.934 1.00 31.24 H new ATOM 0 HG23 THR A 42 2.637 -28.708 6.158 1.00 31.24 H new ATOM 617 N VAL A 43 1.911 -32.432 8.211 1.00 23.21 N ATOM 618 CA VAL A 43 1.433 -33.673 7.613 1.00 23.12 C ATOM 619 C VAL A 43 -0.084 -33.783 7.714 1.00 41.10 C ATOM 620 O VAL A 43 -0.745 -34.270 6.796 1.00 13.41 O ATOM 621 CB VAL A 43 2.072 -34.903 8.286 1.00 12.21 C ATOM 622 CG1 VAL A 43 1.236 -36.147 8.027 1.00 22.25 C ATOM 623 CG2 VAL A 43 3.499 -35.097 7.796 1.00 74.14 C ATOM 0 H VAL A 43 2.585 -32.560 8.966 1.00 23.21 H new ATOM 0 HA VAL A 43 1.724 -33.651 6.563 1.00 23.12 H new ATOM 0 HB VAL A 43 2.102 -34.733 9.362 1.00 12.21 H new ATOM 0 HG11 VAL A 43 1.702 -37.006 8.510 1.00 22.25 H new ATOM 0 HG12 VAL A 43 0.234 -36.003 8.432 1.00 22.25 H new ATOM 0 HG13 VAL A 43 1.171 -36.325 6.954 1.00 22.25 H new ATOM 0 HG21 VAL A 43 3.935 -35.970 8.282 1.00 74.14 H new ATOM 0 HG22 VAL A 43 3.496 -35.246 6.716 1.00 74.14 H new ATOM 0 HG23 VAL A 43 4.090 -34.214 8.039 1.00 74.14 H new ATOM 633 N THR A 44 -0.632 -33.327 8.836 1.00 3.52 N ATOM 634 CA THR A 44 -2.071 -33.374 9.058 1.00 13.31 C ATOM 635 C THR A 44 -2.788 -32.296 8.252 1.00 65.43 C ATOM 636 O THR A 44 -3.952 -32.453 7.886 1.00 50.02 O ATOM 637 CB THR A 44 -2.416 -33.197 10.549 1.00 21.10 C ATOM 638 OG1 THR A 44 -2.113 -31.862 10.967 1.00 4.41 O ATOM 639 CG2 THR A 44 -1.643 -34.190 11.404 1.00 0.43 C ATOM 0 H THR A 44 -0.100 -32.921 9.606 1.00 3.52 H new ATOM 0 HA THR A 44 -2.409 -34.356 8.728 1.00 13.31 H new ATOM 0 HB THR A 44 -3.482 -33.384 10.678 1.00 21.10 H new ATOM 0 HG1 THR A 44 -1.298 -31.555 10.517 1.00 4.41 H new ATOM 0 HG21 THR A 44 -1.903 -34.046 12.453 1.00 0.43 H new ATOM 0 HG22 THR A 44 -1.899 -35.206 11.103 1.00 0.43 H new ATOM 0 HG23 THR A 44 -0.573 -34.030 11.270 1.00 0.43 H new ATOM 647 N ALA A 45 -2.084 -31.203 7.977 1.00 24.12 N ATOM 648 CA ALA A 45 -2.652 -30.101 7.211 1.00 10.13 C ATOM 649 C ALA A 45 -3.314 -30.604 5.933 1.00 64.41 C ATOM 650 O ALA A 45 -4.444 -30.232 5.621 1.00 51.32 O ATOM 651 CB ALA A 45 -1.576 -29.076 6.883 1.00 71.42 C ATOM 0 H ALA A 45 -1.119 -31.057 8.273 1.00 24.12 H new ATOM 0 HA ALA A 45 -3.418 -29.624 7.822 1.00 10.13 H new ATOM 0 HB1 ALA A 45 -2.015 -28.259 6.311 1.00 71.42 H new ATOM 0 HB2 ALA A 45 -1.152 -28.685 7.808 1.00 71.42 H new ATOM 0 HB3 ALA A 45 -0.790 -29.549 6.295 1.00 71.42 H new ATOM 657 N GLN A 46 -2.601 -31.452 5.198 1.00 72.13 N ATOM 658 CA GLN A 46 -3.120 -32.005 3.952 1.00 12.13 C ATOM 659 C GLN A 46 -3.502 -33.471 4.125 1.00 62.41 C ATOM 660 O GLN A 46 -4.436 -33.960 3.488 1.00 1.54 O ATOM 661 CB GLN A 46 -2.084 -31.863 2.836 1.00 61.30 C ATOM 662 CG GLN A 46 -1.182 -30.650 2.994 1.00 41.14 C ATOM 663 CD GLN A 46 -0.145 -30.547 1.893 1.00 42.23 C ATOM 664 OE1 GLN A 46 0.047 -29.483 1.303 1.00 63.24 O ATOM 665 NE2 GLN A 46 0.531 -31.654 1.610 1.00 60.30 N ATOM 0 H GLN A 46 -1.664 -31.771 5.443 1.00 72.13 H new ATOM 0 HA GLN A 46 -4.015 -31.445 3.680 1.00 12.13 H new ATOM 0 HB2 GLN A 46 -1.468 -32.762 2.807 1.00 61.30 H new ATOM 0 HB3 GLN A 46 -2.600 -31.799 1.878 1.00 61.30 H new ATOM 0 HG2 GLN A 46 -1.792 -29.747 2.999 1.00 41.14 H new ATOM 0 HG3 GLN A 46 -0.678 -30.700 3.959 1.00 41.14 H new ATOM 0 HE21 GLN A 46 0.340 -32.514 2.124 1.00 60.30 H new ATOM 0 HE22 GLN A 46 1.242 -31.645 0.879 1.00 60.30 H new ATOM 674 N PHE A 47 -2.773 -34.170 4.989 1.00 0.54 N ATOM 675 CA PHE A 47 -3.034 -35.581 5.245 1.00 73.21 C ATOM 676 C PHE A 47 -3.453 -35.803 6.695 1.00 21.14 C ATOM 677 O PHE A 47 -2.673 -36.263 7.530 1.00 41.13 O ATOM 678 CB PHE A 47 -1.793 -36.417 4.927 1.00 62.21 C ATOM 679 CG PHE A 47 -1.011 -35.906 3.751 1.00 2.30 C ATOM 680 CD1 PHE A 47 0.359 -35.716 3.843 1.00 54.53 C ATOM 681 CD2 PHE A 47 -1.645 -35.614 2.554 1.00 32.51 C ATOM 682 CE1 PHE A 47 1.081 -35.245 2.762 1.00 24.34 C ATOM 683 CE2 PHE A 47 -0.928 -35.144 1.470 1.00 24.54 C ATOM 684 CZ PHE A 47 0.437 -34.958 1.575 1.00 20.50 C ATOM 0 H PHE A 47 -1.996 -33.781 5.524 1.00 0.54 H new ATOM 0 HA PHE A 47 -3.852 -35.896 4.597 1.00 73.21 H new ATOM 0 HB2 PHE A 47 -1.145 -36.438 5.803 1.00 62.21 H new ATOM 0 HB3 PHE A 47 -2.098 -37.445 4.731 1.00 62.21 H new ATOM 0 HD1 PHE A 47 0.868 -35.938 4.769 1.00 54.53 H new ATOM 0 HD2 PHE A 47 -2.712 -35.755 2.467 1.00 32.51 H new ATOM 0 HE1 PHE A 47 2.148 -35.102 2.846 1.00 24.34 H new ATOM 0 HE2 PHE A 47 -1.434 -34.922 0.542 1.00 24.54 H new ATOM 0 HZ PHE A 47 0.999 -34.589 0.730 1.00 20.50 H new ATOM 694 N PRO A 48 -4.714 -35.468 7.004 1.00 34.24 N ATOM 695 CA PRO A 48 -5.266 -35.622 8.354 1.00 52.41 C ATOM 696 C PRO A 48 -5.456 -37.085 8.740 1.00 53.54 C ATOM 697 O PRO A 48 -6.075 -37.855 8.006 1.00 1.42 O ATOM 698 CB PRO A 48 -6.619 -34.911 8.267 1.00 73.44 C ATOM 699 CG PRO A 48 -6.992 -34.982 6.826 1.00 42.31 C ATOM 700 CD PRO A 48 -5.699 -34.915 6.060 1.00 14.52 C ATOM 0 HA PRO A 48 -4.602 -35.212 9.115 1.00 52.41 H new ATOM 0 HB2 PRO A 48 -7.365 -35.401 8.894 1.00 73.44 H new ATOM 0 HB3 PRO A 48 -6.546 -33.878 8.607 1.00 73.44 H new ATOM 0 HG2 PRO A 48 -7.528 -35.905 6.607 1.00 42.31 H new ATOM 0 HG3 PRO A 48 -7.651 -34.158 6.552 1.00 42.31 H new ATOM 0 HD2 PRO A 48 -5.746 -35.499 5.141 1.00 14.52 H new ATOM 0 HD3 PRO A 48 -5.453 -33.892 5.776 1.00 14.52 H new ATOM 708 N GLY A 49 -4.920 -37.461 9.897 1.00 71.55 N ATOM 709 CA GLY A 49 -5.042 -38.831 10.359 1.00 33.54 C ATOM 710 C GLY A 49 -3.868 -39.692 9.939 1.00 24.42 C ATOM 711 O GLY A 49 -3.577 -40.708 10.570 1.00 70.30 O ATOM 0 H GLY A 49 -4.404 -36.842 10.522 1.00 71.55 H new ATOM 0 HA2 GLY A 49 -5.123 -38.839 11.446 1.00 33.54 H new ATOM 0 HA3 GLY A 49 -5.963 -39.262 9.967 1.00 33.54 H new ATOM 715 N ALA A 50 -3.191 -39.287 8.870 1.00 52.54 N ATOM 716 CA ALA A 50 -2.042 -40.028 8.366 1.00 4.11 C ATOM 717 C ALA A 50 -0.947 -40.127 9.423 1.00 45.33 C ATOM 718 O ALA A 50 -0.140 -39.210 9.582 1.00 45.05 O ATOM 719 CB ALA A 50 -1.502 -39.372 7.104 1.00 51.41 C ATOM 0 H ALA A 50 -3.419 -38.449 8.336 1.00 52.54 H new ATOM 0 HA ALA A 50 -2.371 -41.039 8.124 1.00 4.11 H new ATOM 0 HB1 ALA A 50 -0.644 -39.937 6.739 1.00 51.41 H new ATOM 0 HB2 ALA A 50 -2.279 -39.359 6.340 1.00 51.41 H new ATOM 0 HB3 ALA A 50 -1.195 -38.350 7.328 1.00 51.41 H new ATOM 725 N CYS A 51 -0.925 -41.243 10.143 1.00 42.23 N ATOM 726 CA CYS A 51 0.071 -41.460 11.186 1.00 21.40 C ATOM 727 C CYS A 51 1.438 -41.758 10.579 1.00 22.30 C ATOM 728 O CYS A 51 2.470 -41.374 11.128 1.00 13.31 O ATOM 729 CB CYS A 51 -0.358 -42.611 12.097 1.00 23.42 C ATOM 730 SG CYS A 51 0.213 -42.452 13.805 1.00 21.55 S ATOM 0 H CYS A 51 -1.585 -42.011 10.024 1.00 42.23 H new ATOM 0 HA CYS A 51 0.148 -40.547 11.777 1.00 21.40 H new ATOM 0 HB2 CYS A 51 -1.446 -42.677 12.094 1.00 23.42 H new ATOM 0 HB3 CYS A 51 0.019 -43.547 11.685 1.00 23.42 H new ATOM 0 HG CYS A 51 -0.201 -43.471 14.498 1.00 21.55 H new ATOM 736 N GLY A 52 1.438 -42.448 9.442 1.00 32.23 N ATOM 737 CA GLY A 52 2.684 -42.788 8.780 1.00 32.04 C ATOM 738 C GLY A 52 2.587 -42.680 7.272 1.00 41.54 C ATOM 739 O GLY A 52 1.545 -42.977 6.686 1.00 42.23 O ATOM 0 H GLY A 52 0.597 -42.777 8.968 1.00 32.23 H new ATOM 0 HA2 GLY A 52 3.474 -42.128 9.138 1.00 32.04 H new ATOM 0 HA3 GLY A 52 2.970 -43.804 9.051 1.00 32.04 H new ATOM 743 N LEU A 53 3.674 -42.251 6.640 1.00 25.21 N ATOM 744 CA LEU A 53 3.708 -42.102 5.189 1.00 31.22 C ATOM 745 C LEU A 53 4.690 -43.087 4.563 1.00 31.32 C ATOM 746 O LEU A 53 5.761 -43.345 5.112 1.00 1.05 O ATOM 747 CB LEU A 53 4.094 -40.671 4.813 1.00 51.24 C ATOM 748 CG LEU A 53 3.406 -39.559 5.606 1.00 74.34 C ATOM 749 CD1 LEU A 53 1.947 -39.908 5.858 1.00 60.12 C ATOM 750 CD2 LEU A 53 4.132 -39.313 6.920 1.00 61.51 C ATOM 0 H LEU A 53 4.544 -42.000 7.110 1.00 25.21 H new ATOM 0 HA LEU A 53 2.711 -42.317 4.803 1.00 31.22 H new ATOM 0 HB2 LEU A 53 5.172 -40.563 4.935 1.00 51.24 H new ATOM 0 HB3 LEU A 53 3.876 -40.523 3.755 1.00 51.24 H new ATOM 0 HG LEU A 53 3.443 -38.643 5.017 1.00 74.34 H new ATOM 0 HD11 LEU A 53 1.473 -39.106 6.423 1.00 60.12 H new ATOM 0 HD12 LEU A 53 1.433 -40.033 4.905 1.00 60.12 H new ATOM 0 HD13 LEU A 53 1.888 -40.836 6.426 1.00 60.12 H new ATOM 0 HD21 LEU A 53 3.628 -38.519 7.471 1.00 61.51 H new ATOM 0 HD22 LEU A 53 4.127 -40.226 7.515 1.00 61.51 H new ATOM 0 HD23 LEU A 53 5.161 -39.018 6.717 1.00 61.51 H new ATOM 762 N ARG A 54 4.318 -43.633 3.410 1.00 61.31 N ATOM 763 CA ARG A 54 5.166 -44.589 2.708 1.00 25.15 C ATOM 764 C ARG A 54 5.813 -43.947 1.485 1.00 53.44 C ATOM 765 O ARG A 54 5.396 -42.877 1.039 1.00 33.13 O ATOM 766 CB ARG A 54 4.351 -45.812 2.285 1.00 61.21 C ATOM 767 CG ARG A 54 5.024 -47.136 2.611 1.00 11.53 C ATOM 768 CD ARG A 54 4.744 -48.181 1.543 1.00 32.24 C ATOM 769 NE ARG A 54 3.873 -49.246 2.035 1.00 50.31 N ATOM 770 CZ ARG A 54 4.265 -50.176 2.899 1.00 52.33 C ATOM 771 NH1 ARG A 54 5.506 -50.172 3.364 1.00 1.34 N ATOM 772 NH2 ARG A 54 3.414 -51.112 3.299 1.00 52.21 N ATOM 0 H ARG A 54 3.435 -43.430 2.942 1.00 61.31 H new ATOM 0 HA ARG A 54 5.955 -44.905 3.390 1.00 25.15 H new ATOM 0 HB2 ARG A 54 3.379 -45.778 2.777 1.00 61.21 H new ATOM 0 HB3 ARG A 54 4.167 -45.762 1.212 1.00 61.21 H new ATOM 0 HG2 ARG A 54 6.100 -46.986 2.702 1.00 11.53 H new ATOM 0 HG3 ARG A 54 4.670 -47.497 3.577 1.00 11.53 H new ATOM 0 HD2 ARG A 54 4.280 -47.703 0.680 1.00 32.24 H new ATOM 0 HD3 ARG A 54 5.685 -48.611 1.201 1.00 32.24 H new ATOM 0 HE ARG A 54 2.911 -49.277 1.697 1.00 50.31 H new ATOM 0 HH11 ARG A 54 6.163 -49.454 3.059 1.00 1.34 H new ATOM 0 HH12 ARG A 54 5.804 -50.887 4.027 1.00 1.34 H new ATOM 0 HH21 ARG A 54 2.458 -51.118 2.943 1.00 52.21 H new ATOM 0 HH22 ARG A 54 3.716 -51.826 3.962 1.00 52.21 H new ATOM 786 N TYR A 55 6.833 -44.606 0.946 1.00 14.42 N ATOM 787 CA TYR A 55 7.539 -44.098 -0.224 1.00 55.41 C ATOM 788 C TYR A 55 7.133 -44.864 -1.480 1.00 3.42 C ATOM 789 O TYR A 55 7.150 -46.094 -1.502 1.00 62.41 O ATOM 790 CB TYR A 55 9.051 -44.199 -0.017 1.00 53.43 C ATOM 791 CG TYR A 55 9.746 -42.857 0.031 1.00 2.00 C ATOM 792 CD1 TYR A 55 10.433 -42.449 1.168 1.00 20.31 C ATOM 793 CD2 TYR A 55 9.716 -41.997 -1.059 1.00 51.35 C ATOM 794 CE1 TYR A 55 11.069 -41.224 1.217 1.00 24.13 C ATOM 795 CE2 TYR A 55 10.351 -40.770 -1.020 1.00 34.43 C ATOM 796 CZ TYR A 55 11.026 -40.389 0.121 1.00 52.52 C ATOM 797 OH TYR A 55 11.658 -39.167 0.165 1.00 62.12 O ATOM 0 H TYR A 55 7.189 -45.493 1.301 1.00 14.42 H new ATOM 0 HA TYR A 55 7.267 -43.051 -0.355 1.00 55.41 H new ATOM 0 HB2 TYR A 55 9.247 -44.734 0.912 1.00 53.43 H new ATOM 0 HB3 TYR A 55 9.481 -44.793 -0.824 1.00 53.43 H new ATOM 0 HD1 TYR A 55 10.470 -43.101 2.028 1.00 20.31 H new ATOM 0 HD2 TYR A 55 9.187 -42.292 -1.953 1.00 51.35 H new ATOM 0 HE1 TYR A 55 11.597 -40.922 2.109 1.00 24.13 H new ATOM 0 HE2 TYR A 55 10.319 -40.114 -1.877 1.00 34.43 H new ATOM 0 HH TYR A 55 11.312 -38.594 -0.550 1.00 62.12 H new ATOM 807 N ARG A 56 6.770 -44.126 -2.524 1.00 12.34 N ATOM 808 CA ARG A 56 6.360 -44.734 -3.783 1.00 54.15 C ATOM 809 C ARG A 56 7.123 -44.124 -4.956 1.00 30.15 C ATOM 810 O ARG A 56 6.760 -43.063 -5.461 1.00 12.24 O ATOM 811 CB ARG A 56 4.855 -44.557 -3.994 1.00 13.33 C ATOM 812 CG ARG A 56 4.410 -44.780 -5.430 1.00 11.51 C ATOM 813 CD ARG A 56 4.905 -46.114 -5.966 1.00 1.32 C ATOM 814 NE ARG A 56 4.501 -46.331 -7.352 1.00 41.54 N ATOM 815 CZ ARG A 56 4.633 -47.492 -7.983 1.00 60.13 C ATOM 816 NH1 ARG A 56 5.155 -48.536 -7.355 1.00 21.14 N ATOM 817 NH2 ARG A 56 4.242 -47.611 -9.246 1.00 32.04 N ATOM 0 H ARG A 56 6.752 -43.106 -2.522 1.00 12.34 H new ATOM 0 HA ARG A 56 6.591 -45.798 -3.735 1.00 54.15 H new ATOM 0 HB2 ARG A 56 4.322 -45.252 -3.345 1.00 13.33 H new ATOM 0 HB3 ARG A 56 4.570 -43.551 -3.686 1.00 13.33 H new ATOM 0 HG2 ARG A 56 3.322 -44.746 -5.484 1.00 11.51 H new ATOM 0 HG3 ARG A 56 4.786 -43.972 -6.058 1.00 11.51 H new ATOM 0 HD2 ARG A 56 5.992 -46.152 -5.895 1.00 1.32 H new ATOM 0 HD3 ARG A 56 4.517 -46.921 -5.345 1.00 1.32 H new ATOM 0 HE ARG A 56 4.095 -45.548 -7.864 1.00 41.54 H new ATOM 0 HH11 ARG A 56 5.457 -48.449 -6.384 1.00 21.14 H new ATOM 0 HH12 ARG A 56 5.255 -49.426 -7.842 1.00 21.14 H new ATOM 0 HH21 ARG A 56 3.840 -46.810 -9.733 1.00 32.04 H new ATOM 0 HH22 ARG A 56 4.344 -48.503 -9.730 1.00 32.04 H new ATOM 831 N ASN A 57 8.183 -44.803 -5.382 1.00 72.23 N ATOM 832 CA ASN A 57 8.998 -44.328 -6.494 1.00 43.10 C ATOM 833 C ASN A 57 8.816 -45.216 -7.721 1.00 53.22 C ATOM 834 O ASN A 57 9.200 -46.386 -7.735 1.00 12.55 O ATOM 835 CB ASN A 57 10.474 -44.291 -6.092 1.00 61.31 C ATOM 836 CG ASN A 57 10.801 -43.109 -5.200 1.00 63.32 C ATOM 837 OD1 ASN A 57 10.124 -42.865 -4.201 1.00 43.14 O ATOM 838 ND2 ASN A 57 11.844 -42.369 -5.558 1.00 51.13 N ATOM 0 H ASN A 57 8.498 -45.683 -4.974 1.00 72.23 H new ATOM 0 HA ASN A 57 8.671 -43.319 -6.746 1.00 43.10 H new ATOM 0 HB2 ASN A 57 10.730 -45.215 -5.574 1.00 61.31 H new ATOM 0 HB3 ASN A 57 11.091 -44.247 -6.989 1.00 61.31 H new ATOM 0 HD21 ASN A 57 12.113 -41.561 -4.997 1.00 51.13 H new ATOM 0 HD22 ASN A 57 12.376 -42.609 -6.394 1.00 51.13 H new ATOM 962 N VAL A 66 9.054 -43.181 4.398 1.00 52.02 N ATOM 963 CA VAL A 66 9.333 -41.978 5.174 1.00 75.44 C ATOM 964 C VAL A 66 9.499 -42.305 6.653 1.00 31.44 C ATOM 965 O VAL A 66 8.711 -43.059 7.225 1.00 11.35 O ATOM 966 CB VAL A 66 8.212 -40.934 5.013 1.00 73.33 C ATOM 967 CG1 VAL A 66 8.463 -39.737 5.917 1.00 61.14 C ATOM 968 CG2 VAL A 66 8.093 -40.500 3.560 1.00 62.14 C ATOM 0 HA VAL A 66 10.265 -41.562 4.790 1.00 75.44 H new ATOM 0 HB VAL A 66 7.268 -41.391 5.310 1.00 73.33 H new ATOM 0 HG11 VAL A 66 7.661 -39.010 5.789 1.00 61.14 H new ATOM 0 HG12 VAL A 66 8.493 -40.066 6.956 1.00 61.14 H new ATOM 0 HG13 VAL A 66 9.415 -39.276 5.654 1.00 61.14 H new ATOM 0 HG21 VAL A 66 7.296 -39.762 3.465 1.00 62.14 H new ATOM 0 HG22 VAL A 66 9.035 -40.061 3.233 1.00 62.14 H new ATOM 0 HG23 VAL A 66 7.862 -41.366 2.939 1.00 62.14 H new ATOM 978 N ARG A 67 10.529 -41.734 7.268 1.00 42.41 N ATOM 979 CA ARG A 67 10.800 -41.965 8.682 1.00 53.33 C ATOM 980 C ARG A 67 9.950 -41.047 9.555 1.00 13.51 C ATOM 981 O ARG A 67 9.728 -39.882 9.219 1.00 71.51 O ATOM 982 CB ARG A 67 12.283 -41.742 8.982 1.00 21.30 C ATOM 983 CG ARG A 67 12.610 -41.740 10.466 1.00 4.23 C ATOM 984 CD ARG A 67 12.322 -43.091 11.103 1.00 50.54 C ATOM 985 NE ARG A 67 12.222 -43.000 12.557 1.00 72.32 N ATOM 986 CZ ARG A 67 13.275 -42.982 13.366 1.00 11.23 C ATOM 987 NH1 ARG A 67 14.501 -43.046 12.866 1.00 70.41 N ATOM 988 NH2 ARG A 67 13.103 -42.898 14.679 1.00 14.13 N ATOM 0 H ARG A 67 11.190 -41.107 6.809 1.00 42.41 H new ATOM 0 HA ARG A 67 10.541 -42.999 8.912 1.00 53.33 H new ATOM 0 HB2 ARG A 67 12.866 -42.522 8.491 1.00 21.30 H new ATOM 0 HB3 ARG A 67 12.594 -40.791 8.549 1.00 21.30 H new ATOM 0 HG2 ARG A 67 13.661 -41.487 10.608 1.00 4.23 H new ATOM 0 HG3 ARG A 67 12.026 -40.968 10.967 1.00 4.23 H new ATOM 0 HD2 ARG A 67 11.392 -43.491 10.700 1.00 50.54 H new ATOM 0 HD3 ARG A 67 13.112 -43.793 10.837 1.00 50.54 H new ATOM 0 HE ARG A 67 11.293 -42.947 12.974 1.00 72.32 H new ATOM 0 HH11 ARG A 67 14.638 -43.109 11.857 1.00 70.41 H new ATOM 0 HH12 ARG A 67 15.308 -43.032 13.490 1.00 70.41 H new ATOM 0 HH21 ARG A 67 12.161 -42.847 15.068 1.00 14.13 H new ATOM 0 HH22 ARG A 67 13.912 -42.884 15.300 1.00 14.13 H new ATOM 1002 N LEU A 68 9.476 -41.578 10.677 1.00 40.32 N ATOM 1003 CA LEU A 68 8.650 -40.807 11.599 1.00 14.50 C ATOM 1004 C LEU A 68 9.170 -40.927 13.028 1.00 71.43 C ATOM 1005 O LEU A 68 9.212 -42.020 13.594 1.00 2.30 O ATOM 1006 CB LEU A 68 7.197 -41.281 11.531 1.00 12.34 C ATOM 1007 CG LEU A 68 6.235 -40.644 12.536 1.00 45.35 C ATOM 1008 CD1 LEU A 68 6.283 -41.384 13.863 1.00 12.12 C ATOM 1009 CD2 LEU A 68 6.567 -39.172 12.731 1.00 2.54 C ATOM 0 H LEU A 68 9.650 -42.539 10.970 1.00 40.32 H new ATOM 0 HA LEU A 68 8.699 -39.759 11.302 1.00 14.50 H new ATOM 0 HB2 LEU A 68 6.820 -41.090 10.526 1.00 12.34 H new ATOM 0 HB3 LEU A 68 7.181 -42.361 11.677 1.00 12.34 H new ATOM 0 HG LEU A 68 5.223 -40.718 12.139 1.00 45.35 H new ATOM 0 HD11 LEU A 68 5.593 -40.917 14.565 1.00 12.12 H new ATOM 0 HD12 LEU A 68 5.996 -42.424 13.710 1.00 12.12 H new ATOM 0 HD13 LEU A 68 7.295 -41.342 14.267 1.00 12.12 H new ATOM 0 HD21 LEU A 68 5.873 -38.735 13.449 1.00 2.54 H new ATOM 0 HD22 LEU A 68 7.586 -39.075 13.106 1.00 2.54 H new ATOM 0 HD23 LEU A 68 6.480 -38.650 11.778 1.00 2.54 H new ATOM 1021 N VAL A 69 9.564 -39.797 13.606 1.00 34.24 N ATOM 1022 CA VAL A 69 10.078 -39.775 14.970 1.00 30.54 C ATOM 1023 C VAL A 69 9.523 -38.587 15.748 1.00 23.31 C ATOM 1024 O VAL A 69 9.737 -37.435 15.374 1.00 12.42 O ATOM 1025 CB VAL A 69 11.617 -39.714 14.989 1.00 11.10 C ATOM 1026 CG1 VAL A 69 12.118 -38.608 14.073 1.00 3.45 C ATOM 1027 CG2 VAL A 69 12.124 -39.513 16.409 1.00 65.21 C ATOM 0 H VAL A 69 9.537 -38.885 13.151 1.00 34.24 H new ATOM 0 HA VAL A 69 9.753 -40.700 15.446 1.00 30.54 H new ATOM 0 HB VAL A 69 12.006 -40.663 14.620 1.00 11.10 H new ATOM 0 HG11 VAL A 69 13.207 -38.580 14.099 1.00 3.45 H new ATOM 0 HG12 VAL A 69 11.784 -38.801 13.053 1.00 3.45 H new ATOM 0 HG13 VAL A 69 11.722 -37.650 14.409 1.00 3.45 H new ATOM 0 HG21 VAL A 69 13.213 -39.472 16.404 1.00 65.21 H new ATOM 0 HG22 VAL A 69 11.728 -38.579 16.808 1.00 65.21 H new ATOM 0 HG23 VAL A 69 11.795 -40.343 17.034 1.00 65.21 H new ATOM 1037 N GLU A 70 8.811 -38.877 16.832 1.00 34.23 N ATOM 1038 CA GLU A 70 8.225 -37.831 17.663 1.00 71.53 C ATOM 1039 C GLU A 70 7.253 -36.976 16.855 1.00 45.50 C ATOM 1040 O GLU A 70 7.056 -35.797 17.148 1.00 32.21 O ATOM 1041 CB GLU A 70 9.323 -36.950 18.261 1.00 51.51 C ATOM 1042 CG GLU A 70 10.481 -37.736 18.852 1.00 72.00 C ATOM 1043 CD GLU A 70 10.940 -37.183 20.187 1.00 21.53 C ATOM 1044 OE1 GLU A 70 11.343 -37.987 21.054 1.00 22.22 O ATOM 1045 OE2 GLU A 70 10.896 -35.948 20.366 1.00 63.43 O ATOM 0 H GLU A 70 8.626 -39.826 17.155 1.00 34.23 H new ATOM 0 HA GLU A 70 7.674 -38.310 18.472 1.00 71.53 H new ATOM 0 HB2 GLU A 70 9.705 -36.284 17.487 1.00 51.51 H new ATOM 0 HB3 GLU A 70 8.889 -36.320 19.037 1.00 51.51 H new ATOM 0 HG2 GLU A 70 10.182 -38.777 18.977 1.00 72.00 H new ATOM 0 HG3 GLU A 70 11.317 -37.726 18.152 1.00 72.00 H new ATOM 1052 N GLY A 71 6.650 -37.578 15.835 1.00 33.30 N ATOM 1053 CA GLY A 71 5.707 -36.857 15.000 1.00 61.21 C ATOM 1054 C GLY A 71 6.377 -36.178 13.822 1.00 24.11 C ATOM 1055 O GLY A 71 5.748 -35.950 12.788 1.00 23.14 O ATOM 0 H GLY A 71 6.798 -38.552 15.572 1.00 33.30 H new ATOM 0 HA2 GLY A 71 4.948 -37.549 14.633 1.00 61.21 H new ATOM 0 HA3 GLY A 71 5.192 -36.108 15.602 1.00 61.21 H new ATOM 1059 N ILE A 72 7.656 -35.853 13.978 1.00 1.21 N ATOM 1060 CA ILE A 72 8.411 -35.195 12.919 1.00 62.11 C ATOM 1061 C ILE A 72 8.866 -36.198 11.864 1.00 2.01 C ATOM 1062 O ILE A 72 9.704 -37.061 12.132 1.00 52.41 O ATOM 1063 CB ILE A 72 9.644 -34.461 13.479 1.00 60.13 C ATOM 1064 CG1 ILE A 72 9.215 -33.397 14.491 1.00 20.45 C ATOM 1065 CG2 ILE A 72 10.444 -33.832 12.348 1.00 3.22 C ATOM 1066 CD1 ILE A 72 9.797 -33.608 15.872 1.00 43.53 C ATOM 0 H ILE A 72 8.191 -36.035 14.827 1.00 1.21 H new ATOM 0 HA ILE A 72 7.742 -34.467 12.460 1.00 62.11 H new ATOM 0 HB ILE A 72 10.279 -35.185 13.989 1.00 60.13 H new ATOM 0 HG12 ILE A 72 9.516 -32.416 14.124 1.00 20.45 H new ATOM 0 HG13 ILE A 72 8.127 -33.391 14.561 1.00 20.45 H new ATOM 0 HG21 ILE A 72 11.312 -33.317 12.759 1.00 3.22 H new ATOM 0 HG22 ILE A 72 10.776 -34.610 11.660 1.00 3.22 H new ATOM 0 HG23 ILE A 72 9.818 -33.118 11.813 1.00 3.22 H new ATOM 0 HD11 ILE A 72 9.451 -32.817 16.537 1.00 43.53 H new ATOM 0 HD12 ILE A 72 9.475 -34.575 16.259 1.00 43.53 H new ATOM 0 HD13 ILE A 72 10.885 -33.584 15.816 1.00 43.53 H new ATOM 1078 N LEU A 73 8.311 -36.078 10.663 1.00 34.24 N ATOM 1079 CA LEU A 73 8.660 -36.973 9.566 1.00 64.32 C ATOM 1080 C LEU A 73 10.055 -36.662 9.033 1.00 62.02 C ATOM 1081 O LEU A 73 10.282 -35.610 8.434 1.00 61.21 O ATOM 1082 CB LEU A 73 7.633 -36.855 8.438 1.00 22.44 C ATOM 1083 CG LEU A 73 6.287 -37.538 8.683 1.00 70.11 C ATOM 1084 CD1 LEU A 73 6.485 -39.015 8.987 1.00 71.01 C ATOM 1085 CD2 LEU A 73 5.540 -36.853 9.818 1.00 21.43 C ATOM 0 H LEU A 73 7.617 -35.369 10.424 1.00 34.24 H new ATOM 0 HA LEU A 73 8.655 -37.994 9.948 1.00 64.32 H new ATOM 0 HB2 LEU A 73 7.452 -35.797 8.248 1.00 22.44 H new ATOM 0 HB3 LEU A 73 8.070 -37.272 7.531 1.00 22.44 H new ATOM 0 HG LEU A 73 5.688 -37.452 7.777 1.00 70.11 H new ATOM 0 HD11 LEU A 73 5.516 -39.484 9.159 1.00 71.01 H new ATOM 0 HD12 LEU A 73 6.977 -39.497 8.143 1.00 71.01 H new ATOM 0 HD13 LEU A 73 7.103 -39.123 9.878 1.00 71.01 H new ATOM 0 HD21 LEU A 73 4.584 -37.352 9.978 1.00 21.43 H new ATOM 0 HD22 LEU A 73 6.135 -36.907 10.730 1.00 21.43 H new ATOM 0 HD23 LEU A 73 5.365 -35.809 9.560 1.00 21.43 H new ATOM 1097 N HIS A 74 10.987 -37.585 9.253 1.00 53.43 N ATOM 1098 CA HIS A 74 12.359 -37.410 8.792 1.00 45.02 C ATOM 1099 C HIS A 74 12.487 -37.773 7.315 1.00 2.44 C ATOM 1100 O HIS A 74 11.734 -38.600 6.802 1.00 4.22 O ATOM 1101 CB HIS A 74 13.312 -38.268 9.624 1.00 23.51 C ATOM 1102 CG HIS A 74 14.480 -37.508 10.172 1.00 44.20 C ATOM 1103 ND1 HIS A 74 15.408 -36.874 9.372 1.00 32.12 N ATOM 1104 CD2 HIS A 74 14.868 -37.279 11.449 1.00 60.34 C ATOM 1105 CE1 HIS A 74 16.316 -36.290 10.133 1.00 25.40 C ATOM 1106 NE2 HIS A 74 16.012 -36.521 11.397 1.00 14.23 N ATOM 0 H HIS A 74 10.816 -38.461 9.747 1.00 53.43 H new ATOM 0 HA HIS A 74 12.626 -36.360 8.914 1.00 45.02 H new ATOM 0 HB2 HIS A 74 12.759 -38.713 10.451 1.00 23.51 H new ATOM 0 HB3 HIS A 74 13.680 -39.089 9.008 1.00 23.51 H new ATOM 0 HD2 HIS A 74 14.370 -37.628 12.342 1.00 60.34 H new ATOM 0 HE1 HIS A 74 17.163 -35.720 9.781 1.00 25.40 H new ATOM 0 HE2 HIS A 74 16.541 -36.190 12.204 1.00 14.23 H new ATOM 1114 N ALA A 75 13.445 -37.147 6.638 1.00 34.31 N ATOM 1115 CA ALA A 75 13.671 -37.405 5.222 1.00 63.25 C ATOM 1116 C ALA A 75 14.814 -38.395 5.020 1.00 41.43 C ATOM 1117 O ALA A 75 15.712 -38.521 5.853 1.00 71.44 O ATOM 1118 CB ALA A 75 13.961 -36.104 4.488 1.00 63.10 C ATOM 0 H ALA A 75 14.076 -36.458 7.048 1.00 34.31 H new ATOM 0 HA ALA A 75 12.764 -37.848 4.809 1.00 63.25 H new ATOM 0 HB1 ALA A 75 14.128 -36.312 3.431 1.00 63.10 H new ATOM 0 HB2 ALA A 75 13.112 -35.429 4.595 1.00 63.10 H new ATOM 0 HB3 ALA A 75 14.851 -35.638 4.911 1.00 63.10 H new ATOM 1124 N PRO A 76 14.782 -39.114 3.888 1.00 20.01 N ATOM 1125 CA PRO A 76 15.808 -40.105 3.551 1.00 61.11 C ATOM 1126 C PRO A 76 17.150 -39.461 3.219 1.00 53.31 C ATOM 1127 O PRO A 76 17.317 -38.249 3.355 1.00 44.42 O ATOM 1128 CB PRO A 76 15.232 -40.807 2.318 1.00 2.42 C ATOM 1129 CG PRO A 76 14.315 -39.805 1.706 1.00 11.24 C ATOM 1130 CD PRO A 76 13.742 -39.015 2.850 1.00 11.14 C ATOM 0 HA PRO A 76 16.014 -40.777 4.384 1.00 61.11 H new ATOM 0 HB2 PRO A 76 16.020 -41.098 1.624 1.00 2.42 H new ATOM 0 HB3 PRO A 76 14.698 -41.716 2.593 1.00 2.42 H new ATOM 0 HG2 PRO A 76 14.852 -39.156 1.014 1.00 11.24 H new ATOM 0 HG3 PRO A 76 13.526 -40.295 1.136 1.00 11.24 H new ATOM 0 HD2 PRO A 76 13.553 -37.979 2.568 1.00 11.14 H new ATOM 0 HD3 PRO A 76 12.794 -39.431 3.190 1.00 11.14 H new ATOM 1138 N ASP A 77 18.102 -40.278 2.783 1.00 74.21 N ATOM 1139 CA ASP A 77 19.429 -39.787 2.430 1.00 74.23 C ATOM 1140 C ASP A 77 19.417 -39.134 1.051 1.00 22.11 C ATOM 1141 O ASP A 77 20.431 -38.607 0.595 1.00 64.43 O ATOM 1142 CB ASP A 77 20.443 -40.931 2.457 1.00 22.44 C ATOM 1143 CG ASP A 77 20.933 -41.237 3.859 1.00 30.02 C ATOM 1144 OD1 ASP A 77 22.101 -41.656 4.002 1.00 41.22 O ATOM 1145 OD2 ASP A 77 20.149 -41.057 4.814 1.00 54.32 O ATOM 0 H ASP A 77 17.980 -41.284 2.665 1.00 74.21 H new ATOM 0 HA ASP A 77 19.720 -39.037 3.165 1.00 74.23 H new ATOM 0 HB2 ASP A 77 19.989 -41.825 2.031 1.00 22.44 H new ATOM 0 HB3 ASP A 77 21.294 -40.674 1.826 1.00 22.44 H new ATOM 1150 N ALA A 78 18.263 -39.174 0.393 1.00 45.33 N ATOM 1151 CA ALA A 78 18.120 -38.585 -0.933 1.00 71.21 C ATOM 1152 C ALA A 78 17.239 -37.341 -0.889 1.00 62.10 C ATOM 1153 O ALA A 78 17.339 -36.467 -1.749 1.00 72.33 O ATOM 1154 CB ALA A 78 17.546 -39.606 -1.904 1.00 63.24 C ATOM 0 H ALA A 78 17.414 -39.608 0.756 1.00 45.33 H new ATOM 0 HA ALA A 78 19.109 -38.286 -1.279 1.00 71.21 H new ATOM 0 HB1 ALA A 78 17.444 -39.153 -2.890 1.00 63.24 H new ATOM 0 HB2 ALA A 78 18.214 -40.465 -1.966 1.00 63.24 H new ATOM 0 HB3 ALA A 78 16.567 -39.933 -1.552 1.00 63.24 H new ATOM 1160 N GLY A 79 16.376 -37.268 0.120 1.00 73.14 N ATOM 1161 CA GLY A 79 15.489 -36.127 0.256 1.00 22.20 C ATOM 1162 C GLY A 79 14.034 -36.495 0.044 1.00 21.11 C ATOM 1163 O GLY A 79 13.714 -37.649 -0.240 1.00 60.25 O ATOM 0 H GLY A 79 16.275 -37.978 0.845 1.00 73.14 H new ATOM 0 HA2 GLY A 79 15.610 -35.693 1.249 1.00 22.20 H new ATOM 0 HA3 GLY A 79 15.775 -35.360 -0.464 1.00 22.20 H new ATOM 1167 N TRP A 80 13.151 -35.513 0.184 1.00 21.14 N ATOM 1168 CA TRP A 80 11.721 -35.740 0.008 1.00 62.31 C ATOM 1169 C TRP A 80 11.402 -36.104 -1.438 1.00 42.20 C ATOM 1170 O TRP A 80 10.857 -37.172 -1.714 1.00 11.43 O ATOM 1171 CB TRP A 80 10.932 -34.497 0.420 1.00 13.13 C ATOM 1172 CG TRP A 80 10.977 -34.226 1.894 1.00 72.23 C ATOM 1173 CD1 TRP A 80 11.490 -33.120 2.508 1.00 22.05 C ATOM 1174 CD2 TRP A 80 10.491 -35.078 2.937 1.00 64.42 C ATOM 1175 NE1 TRP A 80 11.353 -33.233 3.871 1.00 21.20 N ATOM 1176 CE2 TRP A 80 10.743 -34.425 4.159 1.00 34.03 C ATOM 1177 CE3 TRP A 80 9.867 -36.328 2.957 1.00 21.42 C ATOM 1178 CZ2 TRP A 80 10.392 -34.982 5.386 1.00 10.23 C ATOM 1179 CZ3 TRP A 80 9.520 -36.880 4.176 1.00 41.21 C ATOM 1180 CH2 TRP A 80 9.782 -36.207 5.377 1.00 42.14 C ATOM 0 H TRP A 80 13.400 -34.552 0.419 1.00 21.14 H new ATOM 0 HA TRP A 80 11.429 -36.574 0.646 1.00 62.31 H new ATOM 0 HB2 TRP A 80 11.326 -33.632 -0.113 1.00 13.13 H new ATOM 0 HB3 TRP A 80 9.893 -34.616 0.111 1.00 13.13 H new ATOM 0 HD1 TRP A 80 11.938 -32.280 1.998 1.00 22.05 H new ATOM 0 HE1 TRP A 80 11.656 -32.541 4.557 1.00 21.20 H new ATOM 0 HE3 TRP A 80 9.659 -36.854 2.037 1.00 21.42 H new ATOM 0 HZ2 TRP A 80 10.594 -34.465 6.313 1.00 10.23 H new ATOM 0 HZ3 TRP A 80 9.039 -37.846 4.203 1.00 41.21 H new ATOM 0 HH2 TRP A 80 9.497 -36.664 6.313 1.00 42.14 H new ATOM 1191 N GLY A 81 11.746 -35.208 -2.359 1.00 30.31 N ATOM 1192 CA GLY A 81 11.488 -35.454 -3.766 1.00 31.34 C ATOM 1193 C GLY A 81 10.077 -35.078 -4.171 1.00 14.33 C ATOM 1194 O GLY A 81 9.382 -34.371 -3.441 1.00 62.24 O ATOM 0 H GLY A 81 12.198 -34.317 -2.156 1.00 30.31 H new ATOM 0 HA2 GLY A 81 12.199 -34.887 -4.367 1.00 31.34 H new ATOM 0 HA3 GLY A 81 11.656 -36.509 -3.984 1.00 31.34 H new ATOM 1198 N ASN A 82 9.652 -35.549 -5.338 1.00 60.45 N ATOM 1199 CA ASN A 82 8.315 -35.256 -5.841 1.00 13.23 C ATOM 1200 C ASN A 82 7.583 -36.539 -6.222 1.00 61.13 C ATOM 1201 O ASN A 82 6.794 -36.559 -7.168 1.00 65.43 O ATOM 1202 CB ASN A 82 8.395 -34.322 -7.050 1.00 60.33 C ATOM 1203 CG ASN A 82 9.565 -33.361 -6.962 1.00 70.43 C ATOM 1204 OD1 ASN A 82 9.684 -32.676 -5.831 1.00 75.44 O flip ATOM 1205 ND2 ASN A 82 10.353 -33.237 -7.900 1.00 73.11 N flip ATOM 0 H ASN A 82 10.215 -36.136 -5.954 1.00 60.45 H new ATOM 0 HA ASN A 82 7.756 -34.763 -5.046 1.00 13.23 H new ATOM 0 HB2 ASN A 82 8.484 -34.916 -7.959 1.00 60.33 H new ATOM 0 HB3 ASN A 82 7.468 -33.755 -7.129 1.00 60.33 H new ATOM 0 HD21 ASN A 82 10.223 -33.784 -8.751 1.00 73.11 H new ATOM 0 HD22 ASN A 82 11.136 -32.587 -7.826 1.00 73.11 H new ATOM 1212 N LEU A 83 7.849 -37.608 -5.480 1.00 62.21 N ATOM 1213 CA LEU A 83 7.216 -38.897 -5.739 1.00 51.54 C ATOM 1214 C LEU A 83 5.899 -39.019 -4.980 1.00 10.25 C ATOM 1215 O LEU A 83 5.460 -38.075 -4.322 1.00 32.54 O ATOM 1216 CB LEU A 83 8.154 -40.037 -5.343 1.00 25.41 C ATOM 1217 CG LEU A 83 8.877 -39.878 -4.005 1.00 4.50 C ATOM 1218 CD1 LEU A 83 10.116 -39.010 -4.168 1.00 13.22 C ATOM 1219 CD2 LEU A 83 7.942 -39.285 -2.961 1.00 22.11 C ATOM 0 H LEU A 83 8.499 -37.608 -4.694 1.00 62.21 H new ATOM 0 HA LEU A 83 7.006 -38.963 -6.807 1.00 51.54 H new ATOM 0 HB2 LEU A 83 7.577 -40.962 -5.314 1.00 25.41 H new ATOM 0 HB3 LEU A 83 8.903 -40.153 -6.126 1.00 25.41 H new ATOM 0 HG LEU A 83 9.191 -40.864 -3.664 1.00 4.50 H new ATOM 0 HD11 LEU A 83 10.618 -38.908 -3.206 1.00 13.22 H new ATOM 0 HD12 LEU A 83 10.794 -39.475 -4.883 1.00 13.22 H new ATOM 0 HD13 LEU A 83 9.825 -38.025 -4.532 1.00 13.22 H new ATOM 0 HD21 LEU A 83 8.473 -39.179 -2.015 1.00 22.11 H new ATOM 0 HD22 LEU A 83 7.597 -38.306 -3.295 1.00 22.11 H new ATOM 0 HD23 LEU A 83 7.085 -39.944 -2.824 1.00 22.11 H new ATOM 1231 N VAL A 84 5.274 -40.188 -5.073 1.00 71.22 N ATOM 1232 CA VAL A 84 4.009 -40.436 -4.392 1.00 53.50 C ATOM 1233 C VAL A 84 4.235 -41.076 -3.027 1.00 64.13 C ATOM 1234 O VAL A 84 5.287 -41.665 -2.773 1.00 55.21 O ATOM 1235 CB VAL A 84 3.090 -41.346 -5.228 1.00 72.00 C ATOM 1236 CG1 VAL A 84 1.671 -41.319 -4.681 1.00 74.24 C ATOM 1237 CG2 VAL A 84 3.115 -40.929 -6.691 1.00 15.44 C ATOM 0 H VAL A 84 5.623 -40.979 -5.614 1.00 71.22 H new ATOM 0 HA VAL A 84 3.526 -39.468 -4.260 1.00 53.50 H new ATOM 0 HB VAL A 84 3.460 -42.369 -5.160 1.00 72.00 H new ATOM 0 HG11 VAL A 84 1.036 -41.968 -5.284 1.00 74.24 H new ATOM 0 HG12 VAL A 84 1.672 -41.670 -3.649 1.00 74.24 H new ATOM 0 HG13 VAL A 84 1.287 -40.300 -4.717 1.00 74.24 H new ATOM 0 HG21 VAL A 84 2.460 -41.583 -7.267 1.00 15.44 H new ATOM 0 HG22 VAL A 84 2.770 -39.899 -6.782 1.00 15.44 H new ATOM 0 HG23 VAL A 84 4.133 -41.006 -7.074 1.00 15.44 H new ATOM 1247 N TYR A 85 3.243 -40.958 -2.152 1.00 51.14 N ATOM 1248 CA TYR A 85 3.334 -41.524 -0.812 1.00 3.12 C ATOM 1249 C TYR A 85 2.042 -42.242 -0.435 1.00 24.45 C ATOM 1250 O TYR A 85 0.954 -41.851 -0.857 1.00 3.13 O ATOM 1251 CB TYR A 85 3.637 -40.425 0.209 1.00 71.43 C ATOM 1252 CG TYR A 85 2.418 -39.954 0.970 1.00 45.11 C ATOM 1253 CD1 TYR A 85 1.943 -40.662 2.067 1.00 64.32 C ATOM 1254 CD2 TYR A 85 1.742 -38.801 0.592 1.00 52.12 C ATOM 1255 CE1 TYR A 85 0.830 -40.236 2.765 1.00 42.20 C ATOM 1256 CE2 TYR A 85 0.629 -38.366 1.285 1.00 72.11 C ATOM 1257 CZ TYR A 85 0.177 -39.087 2.370 1.00 13.05 C ATOM 1258 OH TYR A 85 -0.933 -38.658 3.063 1.00 45.03 O ATOM 0 H TYR A 85 2.366 -40.475 -2.347 1.00 51.14 H new ATOM 0 HA TYR A 85 4.147 -42.250 -0.806 1.00 3.12 H new ATOM 0 HB2 TYR A 85 4.378 -40.794 0.918 1.00 71.43 H new ATOM 0 HB3 TYR A 85 4.084 -39.575 -0.306 1.00 71.43 H new ATOM 0 HD1 TYR A 85 2.453 -41.561 2.379 1.00 64.32 H new ATOM 0 HD2 TYR A 85 2.093 -38.235 -0.258 1.00 52.12 H new ATOM 0 HE1 TYR A 85 0.473 -40.799 3.615 1.00 42.20 H new ATOM 0 HE2 TYR A 85 0.116 -37.466 0.979 1.00 72.11 H new ATOM 0 HH TYR A 85 -1.131 -37.729 2.821 1.00 45.03 H new ATOM 1268 N VAL A 86 2.171 -43.297 0.365 1.00 41.24 N ATOM 1269 CA VAL A 86 1.015 -44.070 0.802 1.00 61.43 C ATOM 1270 C VAL A 86 0.717 -43.828 2.277 1.00 5.11 C ATOM 1271 O VAL A 86 1.611 -43.898 3.121 1.00 14.15 O ATOM 1272 CB VAL A 86 1.230 -45.578 0.574 1.00 62.42 C ATOM 1273 CG1 VAL A 86 -0.028 -46.357 0.926 1.00 53.31 C ATOM 1274 CG2 VAL A 86 1.647 -45.845 -0.865 1.00 21.34 C ATOM 0 H VAL A 86 3.064 -43.635 0.723 1.00 41.24 H new ATOM 0 HA VAL A 86 0.167 -43.736 0.204 1.00 61.43 H new ATOM 0 HB VAL A 86 2.032 -45.916 1.230 1.00 62.42 H new ATOM 0 HG11 VAL A 86 0.144 -47.420 0.758 1.00 53.31 H new ATOM 0 HG12 VAL A 86 -0.278 -46.191 1.974 1.00 53.31 H new ATOM 0 HG13 VAL A 86 -0.853 -46.019 0.298 1.00 53.31 H new ATOM 0 HG21 VAL A 86 1.795 -46.915 -1.008 1.00 21.34 H new ATOM 0 HG22 VAL A 86 0.868 -45.492 -1.541 1.00 21.34 H new ATOM 0 HG23 VAL A 86 2.578 -45.319 -1.078 1.00 21.34 H new ATOM 1284 N VAL A 87 -0.545 -43.543 2.581 1.00 3.45 N ATOM 1285 CA VAL A 87 -0.962 -43.291 3.956 1.00 64.12 C ATOM 1286 C VAL A 87 -1.030 -44.587 4.755 1.00 35.41 C ATOM 1287 O VAL A 87 -1.455 -45.622 4.243 1.00 31.21 O ATOM 1288 CB VAL A 87 -2.335 -42.595 4.007 1.00 22.43 C ATOM 1289 CG1 VAL A 87 -2.221 -41.153 3.539 1.00 44.22 C ATOM 1290 CG2 VAL A 87 -3.350 -43.358 3.169 1.00 23.12 C ATOM 0 H VAL A 87 -1.297 -43.481 1.894 1.00 3.45 H new ATOM 0 HA VAL A 87 -0.214 -42.634 4.399 1.00 64.12 H new ATOM 0 HB VAL A 87 -2.682 -42.589 5.040 1.00 22.43 H new ATOM 0 HG11 VAL A 87 -3.201 -40.678 3.582 1.00 44.22 H new ATOM 0 HG12 VAL A 87 -1.528 -40.614 4.185 1.00 44.22 H new ATOM 0 HG13 VAL A 87 -1.852 -41.131 2.514 1.00 44.22 H new ATOM 0 HG21 VAL A 87 -4.314 -42.852 3.216 1.00 23.12 H new ATOM 0 HG22 VAL A 87 -3.011 -43.397 2.134 1.00 23.12 H new ATOM 0 HG23 VAL A 87 -3.453 -44.372 3.556 1.00 23.12 H new ATOM 1300 N ASN A 88 -0.610 -44.523 6.014 1.00 12.34 N ATOM 1301 CA ASN A 88 -0.624 -45.692 6.886 1.00 71.12 C ATOM 1302 C ASN A 88 -0.903 -45.290 8.331 1.00 61.31 C ATOM 1303 O ASN A 88 -0.557 -44.188 8.758 1.00 73.24 O ATOM 1304 CB ASN A 88 0.711 -46.434 6.800 1.00 62.15 C ATOM 1305 CG ASN A 88 0.636 -47.829 7.389 1.00 63.41 C ATOM 1306 OD1 ASN A 88 0.001 -48.720 6.825 1.00 33.21 O ATOM 1307 ND2 ASN A 88 1.287 -48.025 8.530 1.00 61.22 N ATOM 0 H ASN A 88 -0.256 -43.674 6.454 1.00 12.34 H new ATOM 0 HA ASN A 88 -1.423 -46.354 6.551 1.00 71.12 H new ATOM 0 HB2 ASN A 88 1.021 -46.499 5.757 1.00 62.15 H new ATOM 0 HB3 ASN A 88 1.476 -45.862 7.325 1.00 62.15 H new ATOM 0 HD21 ASN A 88 1.273 -48.943 8.974 1.00 61.22 H new ATOM 0 HD22 ASN A 88 1.801 -47.257 8.962 1.00 61.22 H new