USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot -160:sc= 1.03 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -139:sc= 1.18 (180deg=-0.345) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= 1.13 (180deg=0.714) USER MOD Single : A 22 THR OG1 : rot 70:sc= 0.826 USER MOD Single : A 27 HIS : no HD1:sc= -0.0462 X(o=-0.046,f=0) USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= -1.42 (180deg=-1.42) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN :FLIP amide:sc=-0.00565 F(o=-0.95,f=-0.0057) USER MOD Single : A 41 CYS SG : rot 171:sc= -1.87 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 173:sc=-0.00529 (180deg=-0.0708) USER MOD Single : A 50 SER OG : rot 175:sc= -0.711 USER MOD Single : A 51 SER OG : rot 73:sc= 0.233 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 155:sc= 0.172 USER MOD Single : A 67 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.4!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= -0.0334 (180deg=-0.231) USER MOD Single : A 73 GLN : amide:sc= -0.0567 X(o=-0.057,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.237 7.292 -2.280 1.00 51.10 N ATOM 220 CA ILE A 15 10.084 6.646 -2.911 1.00 2.21 C ATOM 221 C ILE A 15 8.783 7.133 -2.254 1.00 64.20 C ATOM 222 O ILE A 15 8.559 6.911 -1.060 1.00 50.34 O ATOM 223 CB ILE A 15 10.174 5.097 -2.813 1.00 62.31 C ATOM 224 CG1 ILE A 15 11.372 4.575 -3.626 1.00 15.42 C ATOM 225 CG2 ILE A 15 8.874 4.439 -3.281 1.00 52.40 C ATOM 226 CD1 ILE A 15 11.510 3.063 -3.624 1.00 11.11 C ATOM 0 HA ILE A 15 10.086 6.919 -3.966 1.00 2.21 H new ATOM 0 HB ILE A 15 10.324 4.832 -1.766 1.00 62.31 H new ATOM 0 HG12 ILE A 15 11.276 4.919 -4.656 1.00 15.42 H new ATOM 0 HG13 ILE A 15 12.287 5.013 -3.227 1.00 15.42 H new ATOM 0 HG21 ILE A 15 8.965 3.356 -3.202 1.00 52.40 H new ATOM 0 HG22 ILE A 15 8.048 4.780 -2.657 1.00 52.40 H new ATOM 0 HG23 ILE A 15 8.681 4.712 -4.319 1.00 52.40 H new ATOM 0 HD11 ILE A 15 12.377 2.776 -4.219 1.00 11.11 H new ATOM 0 HD12 ILE A 15 11.639 2.711 -2.601 1.00 11.11 H new ATOM 0 HD13 ILE A 15 10.613 2.615 -4.051 1.00 11.11 H new ATOM 238 N THR A 16 7.940 7.815 -3.025 1.00 2.34 N ATOM 239 CA THR A 16 6.682 8.371 -2.499 1.00 44.44 C ATOM 240 C THR A 16 5.647 7.271 -2.251 1.00 13.14 C ATOM 241 O THR A 16 5.754 6.173 -2.800 1.00 14.11 O ATOM 242 CB THR A 16 6.064 9.409 -3.465 1.00 55.51 C ATOM 243 OG1 THR A 16 5.573 8.752 -4.646 1.00 64.42 O ATOM 244 CG2 THR A 16 7.093 10.468 -3.858 1.00 75.44 C ATOM 0 H THR A 16 8.099 7.999 -4.016 1.00 2.34 H new ATOM 0 HA THR A 16 6.936 8.859 -1.558 1.00 44.44 H new ATOM 0 HB THR A 16 5.237 9.900 -2.952 1.00 55.51 H new ATOM 0 HG1 THR A 16 5.182 9.416 -5.251 1.00 64.42 H new ATOM 0 HG21 THR A 16 6.634 11.186 -4.538 1.00 75.44 H new ATOM 0 HG22 THR A 16 7.442 10.985 -2.964 1.00 75.44 H new ATOM 0 HG23 THR A 16 7.938 9.989 -4.353 1.00 75.44 H new ATOM 252 N LEU A 17 4.641 7.575 -1.430 1.00 52.34 N ATOM 253 CA LEU A 17 3.553 6.628 -1.139 1.00 11.14 C ATOM 254 C LEU A 17 2.934 6.057 -2.431 1.00 63.31 C ATOM 255 O LEU A 17 2.428 4.933 -2.447 1.00 32.53 O ATOM 256 CB LEU A 17 2.474 7.318 -0.287 1.00 62.42 C ATOM 257 CG LEU A 17 1.281 6.436 0.126 1.00 12.11 C ATOM 258 CD1 LEU A 17 1.756 5.209 0.903 1.00 71.22 C ATOM 259 CD2 LEU A 17 0.277 7.245 0.950 1.00 25.33 C ATOM 0 H LEU A 17 4.553 8.471 -0.951 1.00 52.34 H new ATOM 0 HA LEU A 17 3.974 5.792 -0.581 1.00 11.14 H new ATOM 0 HB2 LEU A 17 2.944 7.706 0.616 1.00 62.42 H new ATOM 0 HB3 LEU A 17 2.093 8.175 -0.842 1.00 62.42 H new ATOM 0 HG LEU A 17 0.782 6.089 -0.779 1.00 12.11 H new ATOM 0 HD11 LEU A 17 0.896 4.601 1.184 1.00 71.22 H new ATOM 0 HD12 LEU A 17 2.428 4.620 0.278 1.00 71.22 H new ATOM 0 HD13 LEU A 17 2.283 5.529 1.802 1.00 71.22 H new ATOM 0 HD21 LEU A 17 -0.560 6.606 1.233 1.00 25.33 H new ATOM 0 HD22 LEU A 17 0.765 7.624 1.848 1.00 25.33 H new ATOM 0 HD23 LEU A 17 -0.090 8.082 0.356 1.00 25.33 H new ATOM 271 N GLN A 18 2.998 6.833 -3.517 1.00 60.21 N ATOM 272 CA GLN A 18 2.499 6.393 -4.825 1.00 54.40 C ATOM 273 C GLN A 18 3.263 5.160 -5.330 1.00 64.03 C ATOM 274 O GLN A 18 2.670 4.108 -5.588 1.00 15.04 O ATOM 275 CB GLN A 18 2.617 7.535 -5.850 1.00 65.42 C ATOM 276 CG GLN A 18 2.189 7.142 -7.263 1.00 2.23 C ATOM 277 CD GLN A 18 2.413 8.245 -8.283 1.00 73.41 C ATOM 278 OE1 GLN A 18 3.316 9.068 -8.150 1.00 63.42 O ATOM 279 NE2 GLN A 18 1.601 8.267 -9.319 1.00 14.44 N ATOM 0 H GLN A 18 3.392 7.774 -3.516 1.00 60.21 H new ATOM 0 HA GLN A 18 1.451 6.119 -4.706 1.00 54.40 H new ATOM 0 HB2 GLN A 18 2.008 8.375 -5.516 1.00 65.42 H new ATOM 0 HB3 GLN A 18 3.650 7.882 -5.877 1.00 65.42 H new ATOM 0 HG2 GLN A 18 2.742 6.254 -7.570 1.00 2.23 H new ATOM 0 HG3 GLN A 18 1.133 6.873 -7.254 1.00 2.23 H new ATOM 0 HE21 GLN A 18 0.861 7.570 -9.402 1.00 14.44 H new ATOM 0 HE22 GLN A 18 1.712 8.981 -10.039 1.00 14.44 H new ATOM 288 N LYS A 19 4.582 5.291 -5.467 1.00 41.31 N ATOM 289 CA LYS A 19 5.418 4.181 -5.935 1.00 25.32 C ATOM 290 C LYS A 19 5.526 3.084 -4.866 1.00 23.22 C ATOM 291 O LYS A 19 5.641 1.906 -5.190 1.00 71.30 O ATOM 292 CB LYS A 19 6.810 4.691 -6.341 1.00 12.41 C ATOM 293 CG LYS A 19 7.770 3.595 -6.815 1.00 0.15 C ATOM 294 CD LYS A 19 7.187 2.768 -7.966 1.00 1.44 C ATOM 295 CE LYS A 19 8.192 1.742 -8.491 1.00 50.12 C ATOM 296 NZ LYS A 19 7.587 0.805 -9.477 1.00 63.21 N ATOM 0 H LYS A 19 5.094 6.149 -5.262 1.00 41.31 H new ATOM 0 HA LYS A 19 4.944 3.743 -6.813 1.00 25.32 H new ATOM 0 HB2 LYS A 19 6.696 5.427 -7.137 1.00 12.41 H new ATOM 0 HB3 LYS A 19 7.257 5.207 -5.491 1.00 12.41 H new ATOM 0 HG2 LYS A 19 8.707 4.050 -7.136 1.00 0.15 H new ATOM 0 HG3 LYS A 19 8.006 2.935 -5.980 1.00 0.15 H new ATOM 0 HD2 LYS A 19 6.287 2.255 -7.626 1.00 1.44 H new ATOM 0 HD3 LYS A 19 6.888 3.433 -8.777 1.00 1.44 H new ATOM 0 HE2 LYS A 19 9.029 2.263 -8.956 1.00 50.12 H new ATOM 0 HE3 LYS A 19 8.596 1.173 -7.654 1.00 50.12 H new ATOM 0 HZ1 LYS A 19 8.334 0.405 -10.079 1.00 63.21 H new ATOM 0 HZ2 LYS A 19 7.100 0.037 -8.972 1.00 63.21 H new ATOM 0 HZ3 LYS A 19 6.903 1.318 -10.069 1.00 63.21 H new ATOM 310 N LEU A 20 5.473 3.479 -3.595 1.00 34.22 N ATOM 311 CA LEU A 20 5.467 2.522 -2.483 1.00 30.11 C ATOM 312 C LEU A 20 4.272 1.557 -2.613 1.00 22.31 C ATOM 313 O LEU A 20 4.441 0.333 -2.596 1.00 74.15 O ATOM 314 CB LEU A 20 5.428 3.292 -1.147 1.00 41.21 C ATOM 315 CG LEU A 20 5.579 2.455 0.142 1.00 21.31 C ATOM 316 CD1 LEU A 20 6.076 3.328 1.291 1.00 23.31 C ATOM 317 CD2 LEU A 20 4.259 1.783 0.530 1.00 74.53 C ATOM 0 H LEU A 20 5.433 4.457 -3.306 1.00 34.22 H new ATOM 0 HA LEU A 20 6.377 1.922 -2.510 1.00 30.11 H new ATOM 0 HB2 LEU A 20 6.221 4.039 -1.162 1.00 41.21 H new ATOM 0 HB3 LEU A 20 4.483 3.832 -1.093 1.00 41.21 H new ATOM 0 HG LEU A 20 6.313 1.674 -0.057 1.00 21.31 H new ATOM 0 HD11 LEU A 20 6.177 2.722 2.191 1.00 23.31 H new ATOM 0 HD12 LEU A 20 7.045 3.755 1.031 1.00 23.31 H new ATOM 0 HD13 LEU A 20 5.362 4.132 1.473 1.00 23.31 H new ATOM 0 HD21 LEU A 20 4.401 1.202 1.441 1.00 74.53 H new ATOM 0 HD22 LEU A 20 3.499 2.545 0.700 1.00 74.53 H new ATOM 0 HD23 LEU A 20 3.937 1.123 -0.275 1.00 74.53 H new ATOM 329 N LEU A 21 3.070 2.119 -2.757 1.00 20.23 N ATOM 330 CA LEU A 21 1.863 1.320 -2.991 1.00 70.20 C ATOM 331 C LEU A 21 2.010 0.474 -4.267 1.00 71.13 C ATOM 332 O LEU A 21 1.651 -0.704 -4.291 1.00 52.40 O ATOM 333 CB LEU A 21 0.634 2.237 -3.107 1.00 41.42 C ATOM 334 CG LEU A 21 -0.708 1.522 -3.346 1.00 14.30 C ATOM 335 CD1 LEU A 21 -1.040 0.585 -2.185 1.00 61.30 C ATOM 336 CD2 LEU A 21 -1.830 2.538 -3.565 1.00 72.12 C ATOM 0 H LEU A 21 2.905 3.125 -2.716 1.00 20.23 H new ATOM 0 HA LEU A 21 1.727 0.648 -2.144 1.00 70.20 H new ATOM 0 HB2 LEU A 21 0.554 2.825 -2.193 1.00 41.42 H new ATOM 0 HB3 LEU A 21 0.802 2.939 -3.924 1.00 41.42 H new ATOM 0 HG LEU A 21 -0.616 0.918 -4.249 1.00 14.30 H new ATOM 0 HD11 LEU A 21 -1.993 0.091 -2.377 1.00 61.30 H new ATOM 0 HD12 LEU A 21 -0.256 -0.165 -2.087 1.00 61.30 H new ATOM 0 HD13 LEU A 21 -1.109 1.160 -1.262 1.00 61.30 H new ATOM 0 HD21 LEU A 21 -2.770 2.012 -3.732 1.00 72.12 H new ATOM 0 HD22 LEU A 21 -1.922 3.174 -2.685 1.00 72.12 H new ATOM 0 HD23 LEU A 21 -1.599 3.153 -4.435 1.00 72.12 H new ATOM 348 N THR A 22 2.553 1.090 -5.323 1.00 35.11 N ATOM 349 CA THR A 22 2.794 0.393 -6.598 1.00 74.31 C ATOM 350 C THR A 22 3.663 -0.862 -6.402 1.00 64.21 C ATOM 351 O THR A 22 3.303 -1.944 -6.862 1.00 73.14 O ATOM 352 CB THR A 22 3.469 1.323 -7.648 1.00 61.01 C ATOM 353 OG1 THR A 22 2.622 2.450 -7.936 1.00 5.11 O ATOM 354 CG2 THR A 22 3.762 0.579 -8.947 1.00 71.22 C ATOM 0 H THR A 22 2.835 2.070 -5.323 1.00 35.11 H new ATOM 0 HA THR A 22 1.815 0.094 -6.972 1.00 74.31 H new ATOM 0 HB THR A 22 4.411 1.666 -7.220 1.00 61.01 H new ATOM 0 HG1 THR A 22 2.589 3.042 -7.156 1.00 5.11 H new ATOM 0 HG21 THR A 22 4.233 1.259 -9.657 1.00 71.22 H new ATOM 0 HG22 THR A 22 4.432 -0.256 -8.745 1.00 71.22 H new ATOM 0 HG23 THR A 22 2.830 0.202 -9.369 1.00 71.22 H new ATOM 362 N GLU A 23 4.795 -0.710 -5.702 1.00 14.34 N ATOM 363 CA GLU A 23 5.690 -1.840 -5.385 1.00 45.33 C ATOM 364 C GLU A 23 4.915 -3.006 -4.751 1.00 43.32 C ATOM 365 O GLU A 23 5.102 -4.174 -5.116 1.00 54.43 O ATOM 366 CB GLU A 23 6.803 -1.385 -4.422 1.00 24.42 C ATOM 367 CG GLU A 23 7.865 -0.487 -5.053 1.00 21.44 C ATOM 368 CD GLU A 23 8.793 -1.239 -5.998 1.00 40.33 C ATOM 369 OE1 GLU A 23 9.612 -2.054 -5.516 1.00 62.15 O ATOM 370 OE2 GLU A 23 8.731 -1.007 -7.221 1.00 51.54 O ATOM 0 H GLU A 23 5.117 0.188 -5.341 1.00 14.34 H new ATOM 0 HA GLU A 23 6.131 -2.184 -6.321 1.00 45.33 H new ATOM 0 HB2 GLU A 23 6.347 -0.854 -3.587 1.00 24.42 H new ATOM 0 HB3 GLU A 23 7.291 -2.268 -4.010 1.00 24.42 H new ATOM 0 HG2 GLU A 23 7.374 0.319 -5.599 1.00 21.44 H new ATOM 0 HG3 GLU A 23 8.457 -0.023 -4.264 1.00 21.44 H new ATOM 377 N LEU A 24 4.044 -2.675 -3.801 1.00 30.42 N ATOM 378 CA LEU A 24 3.215 -3.674 -3.127 1.00 73.22 C ATOM 379 C LEU A 24 2.265 -4.369 -4.108 1.00 4.02 C ATOM 380 O LEU A 24 2.116 -5.587 -4.079 1.00 50.01 O ATOM 381 CB LEU A 24 2.411 -3.026 -1.992 1.00 45.45 C ATOM 382 CG LEU A 24 3.254 -2.337 -0.912 1.00 44.55 C ATOM 383 CD1 LEU A 24 2.357 -1.746 0.169 1.00 15.31 C ATOM 384 CD2 LEU A 24 4.260 -3.314 -0.308 1.00 71.22 C ATOM 0 H LEU A 24 3.893 -1.719 -3.479 1.00 30.42 H new ATOM 0 HA LEU A 24 3.882 -4.428 -2.709 1.00 73.22 H new ATOM 0 HB2 LEU A 24 1.729 -2.292 -2.423 1.00 45.45 H new ATOM 0 HB3 LEU A 24 1.797 -3.792 -1.519 1.00 45.45 H new ATOM 0 HG LEU A 24 3.810 -1.523 -1.377 1.00 44.55 H new ATOM 0 HD11 LEU A 24 2.972 -1.261 0.927 1.00 15.31 H new ATOM 0 HD12 LEU A 24 1.685 -1.013 -0.277 1.00 15.31 H new ATOM 0 HD13 LEU A 24 1.772 -2.541 0.631 1.00 15.31 H new ATOM 0 HD21 LEU A 24 4.848 -2.805 0.456 1.00 71.22 H new ATOM 0 HD22 LEU A 24 3.728 -4.152 0.142 1.00 71.22 H new ATOM 0 HD23 LEU A 24 4.923 -3.683 -1.090 1.00 71.22 H new ATOM 396 N VAL A 25 1.628 -3.593 -4.978 1.00 52.42 N ATOM 397 CA VAL A 25 0.727 -4.156 -5.988 1.00 62.34 C ATOM 398 C VAL A 25 1.496 -5.029 -7.000 1.00 20.31 C ATOM 399 O VAL A 25 0.992 -6.053 -7.465 1.00 54.51 O ATOM 400 CB VAL A 25 -0.041 -3.043 -6.749 1.00 72.14 C ATOM 401 CG1 VAL A 25 -1.019 -3.649 -7.750 1.00 44.53 C ATOM 402 CG2 VAL A 25 -0.768 -2.121 -5.771 1.00 50.44 C ATOM 0 H VAL A 25 1.715 -2.577 -5.008 1.00 52.42 H new ATOM 0 HA VAL A 25 0.008 -4.778 -5.456 1.00 62.34 H new ATOM 0 HB VAL A 25 0.685 -2.447 -7.302 1.00 72.14 H new ATOM 0 HG11 VAL A 25 -1.547 -2.851 -8.272 1.00 44.53 H new ATOM 0 HG12 VAL A 25 -0.472 -4.255 -8.472 1.00 44.53 H new ATOM 0 HG13 VAL A 25 -1.739 -4.275 -7.222 1.00 44.53 H new ATOM 0 HG21 VAL A 25 -1.300 -1.348 -6.326 1.00 50.44 H new ATOM 0 HG22 VAL A 25 -1.480 -2.702 -5.185 1.00 50.44 H new ATOM 0 HG23 VAL A 25 -0.043 -1.655 -5.104 1.00 50.44 H new ATOM 412 N GLU A 26 2.720 -4.620 -7.328 1.00 71.31 N ATOM 413 CA GLU A 26 3.567 -5.362 -8.270 1.00 20.11 C ATOM 414 C GLU A 26 3.968 -6.740 -7.718 1.00 25.35 C ATOM 415 O GLU A 26 3.869 -7.750 -8.416 1.00 51.05 O ATOM 416 CB GLU A 26 4.832 -4.553 -8.610 1.00 71.34 C ATOM 417 CG GLU A 26 4.566 -3.273 -9.402 1.00 2.31 C ATOM 418 CD GLU A 26 5.847 -2.534 -9.770 1.00 62.24 C ATOM 419 OE1 GLU A 26 6.553 -2.984 -10.698 1.00 74.42 O ATOM 420 OE2 GLU A 26 6.160 -1.505 -9.136 1.00 40.52 O ATOM 0 H GLU A 26 3.152 -3.775 -6.955 1.00 71.31 H new ATOM 0 HA GLU A 26 2.980 -5.518 -9.175 1.00 20.11 H new ATOM 0 HB2 GLU A 26 5.343 -4.293 -7.683 1.00 71.34 H new ATOM 0 HB3 GLU A 26 5.511 -5.186 -9.182 1.00 71.34 H new ATOM 0 HG2 GLU A 26 4.020 -3.520 -10.312 1.00 2.31 H new ATOM 0 HG3 GLU A 26 3.926 -2.614 -8.815 1.00 2.31 H new ATOM 427 N HIS A 27 4.423 -6.784 -6.466 1.00 41.32 N ATOM 428 CA HIS A 27 4.881 -8.046 -5.867 1.00 52.25 C ATOM 429 C HIS A 27 3.743 -8.814 -5.169 1.00 52.34 C ATOM 430 O HIS A 27 3.607 -10.026 -5.338 1.00 31.25 O ATOM 431 CB HIS A 27 6.023 -7.794 -4.874 1.00 51.43 C ATOM 432 CG HIS A 27 6.637 -9.062 -4.359 1.00 22.21 C ATOM 433 ND1 HIS A 27 7.727 -9.657 -4.949 1.00 53.50 N ATOM 434 CD2 HIS A 27 6.289 -9.867 -3.327 1.00 25.34 C ATOM 435 CE1 HIS A 27 8.020 -10.770 -4.313 1.00 2.20 C ATOM 436 NE2 HIS A 27 7.161 -10.927 -3.321 1.00 42.54 N ATOM 0 H HIS A 27 4.486 -5.973 -5.850 1.00 41.32 H new ATOM 0 HA HIS A 27 5.243 -8.666 -6.687 1.00 52.25 H new ATOM 0 HB2 HIS A 27 6.793 -7.193 -5.358 1.00 51.43 H new ATOM 0 HB3 HIS A 27 5.646 -7.211 -4.034 1.00 51.43 H new ATOM 0 HD2 HIS A 27 5.475 -9.705 -2.636 1.00 25.34 H new ATOM 0 HE1 HIS A 27 8.828 -11.443 -4.560 1.00 2.20 H new ATOM 0 HE2 HIS A 27 7.148 -11.705 -2.662 1.00 42.54 H new ATOM 445 N TYR A 28 2.950 -8.119 -4.356 1.00 4.31 N ATOM 446 CA TYR A 28 1.837 -8.757 -3.637 1.00 1.22 C ATOM 447 C TYR A 28 0.577 -8.839 -4.513 1.00 20.32 C ATOM 448 O TYR A 28 0.189 -9.918 -4.961 1.00 73.43 O ATOM 449 CB TYR A 28 1.507 -7.990 -2.347 1.00 51.12 C ATOM 450 CG TYR A 28 2.596 -8.026 -1.288 1.00 14.13 C ATOM 451 CD1 TYR A 28 2.732 -9.120 -0.441 1.00 20.11 C ATOM 452 CD2 TYR A 28 3.478 -6.961 -1.127 1.00 14.24 C ATOM 453 CE1 TYR A 28 3.710 -9.151 0.535 1.00 54.21 C ATOM 454 CE2 TYR A 28 4.461 -6.989 -0.155 1.00 33.22 C ATOM 455 CZ TYR A 28 4.573 -8.085 0.673 1.00 20.33 C ATOM 456 OH TYR A 28 5.550 -8.117 1.648 1.00 25.21 O ATOM 0 H TYR A 28 3.052 -7.120 -4.176 1.00 4.31 H new ATOM 0 HA TYR A 28 2.156 -9.768 -3.385 1.00 1.22 H new ATOM 0 HB2 TYR A 28 1.302 -6.950 -2.602 1.00 51.12 H new ATOM 0 HB3 TYR A 28 0.592 -8.401 -1.921 1.00 51.12 H new ATOM 0 HD1 TYR A 28 2.062 -9.960 -0.548 1.00 20.11 H new ATOM 0 HD2 TYR A 28 3.393 -6.099 -1.772 1.00 14.24 H new ATOM 0 HE1 TYR A 28 3.798 -10.007 1.187 1.00 54.21 H new ATOM 0 HE2 TYR A 28 5.138 -6.155 -0.045 1.00 33.22 H new ATOM 0 HH TYR A 28 5.819 -9.045 1.811 1.00 25.21 H new ATOM 466 N GLY A 29 -0.045 -7.686 -4.764 1.00 45.01 N ATOM 467 CA GLY A 29 -1.299 -7.646 -5.516 1.00 34.51 C ATOM 468 C GLY A 29 -2.444 -7.001 -4.733 1.00 65.44 C ATOM 469 O GLY A 29 -2.329 -6.767 -3.528 1.00 2.25 O ATOM 0 H GLY A 29 0.296 -6.774 -4.460 1.00 45.01 H new ATOM 0 HA2 GLY A 29 -1.143 -7.094 -6.443 1.00 34.51 H new ATOM 0 HA3 GLY A 29 -1.582 -8.661 -5.794 1.00 34.51 H new ATOM 473 N TRP A 30 -3.557 -6.727 -5.414 1.00 41.40 N ATOM 474 CA TRP A 30 -4.693 -6.027 -4.797 1.00 25.31 C ATOM 475 C TRP A 30 -5.391 -6.865 -3.709 1.00 12.13 C ATOM 476 O TRP A 30 -5.688 -6.353 -2.626 1.00 72.53 O ATOM 477 CB TRP A 30 -5.699 -5.594 -5.874 1.00 2.54 C ATOM 478 CG TRP A 30 -5.148 -4.549 -6.806 1.00 73.05 C ATOM 479 CD1 TRP A 30 -4.739 -4.724 -8.101 1.00 23.44 C ATOM 480 CD2 TRP A 30 -4.929 -3.164 -6.503 1.00 63.42 C ATOM 481 NE1 TRP A 30 -4.285 -3.534 -8.617 1.00 11.45 N ATOM 482 CE2 TRP A 30 -4.392 -2.562 -7.656 1.00 14.33 C ATOM 483 CE3 TRP A 30 -5.138 -2.373 -5.368 1.00 50.14 C ATOM 484 CZ2 TRP A 30 -4.063 -1.210 -7.707 1.00 22.53 C ATOM 485 CZ3 TRP A 30 -4.808 -1.032 -5.420 1.00 3.34 C ATOM 486 CH2 TRP A 30 -4.276 -0.463 -6.582 1.00 35.35 C ATOM 0 H TRP A 30 -3.700 -6.977 -6.392 1.00 41.40 H new ATOM 0 HA TRP A 30 -4.292 -5.143 -4.301 1.00 25.31 H new ATOM 0 HB2 TRP A 30 -6.001 -6.467 -6.453 1.00 2.54 H new ATOM 0 HB3 TRP A 30 -6.596 -5.206 -5.391 1.00 2.54 H new ATOM 0 HD1 TRP A 30 -4.769 -5.660 -8.638 1.00 23.44 H new ATOM 0 HE1 TRP A 30 -3.926 -3.396 -9.562 1.00 11.45 H new ATOM 0 HE3 TRP A 30 -5.550 -2.803 -4.467 1.00 50.14 H new ATOM 0 HZ2 TRP A 30 -3.654 -0.767 -8.603 1.00 22.53 H new ATOM 0 HZ3 TRP A 30 -4.963 -0.413 -4.549 1.00 3.34 H new ATOM 0 HH2 TRP A 30 -4.028 0.588 -6.591 1.00 35.35 H new ATOM 497 N GLU A 31 -5.650 -8.145 -3.981 1.00 20.53 N ATOM 498 CA GLU A 31 -6.324 -9.006 -2.995 1.00 32.33 C ATOM 499 C GLU A 31 -5.427 -9.248 -1.766 1.00 34.02 C ATOM 500 O GLU A 31 -5.917 -9.334 -0.638 1.00 11.43 O ATOM 501 CB GLU A 31 -6.758 -10.336 -3.629 1.00 12.54 C ATOM 502 CG GLU A 31 -5.610 -11.223 -4.094 1.00 73.13 C ATOM 503 CD GLU A 31 -6.089 -12.442 -4.865 1.00 13.24 C ATOM 504 OE1 GLU A 31 -6.467 -12.289 -6.045 1.00 0.54 O ATOM 505 OE2 GLU A 31 -6.088 -13.559 -4.304 1.00 41.33 O ATOM 0 H GLU A 31 -5.410 -8.607 -4.858 1.00 20.53 H new ATOM 0 HA GLU A 31 -7.221 -8.487 -2.658 1.00 32.33 H new ATOM 0 HB2 GLU A 31 -7.357 -10.889 -2.906 1.00 12.54 H new ATOM 0 HB3 GLU A 31 -7.403 -10.123 -4.481 1.00 12.54 H new ATOM 0 HG2 GLU A 31 -4.938 -10.640 -4.724 1.00 73.13 H new ATOM 0 HG3 GLU A 31 -5.034 -11.549 -3.228 1.00 73.13 H new ATOM 512 N GLU A 32 -4.114 -9.340 -1.990 1.00 74.13 N ATOM 513 CA GLU A 32 -3.139 -9.405 -0.891 1.00 53.43 C ATOM 514 C GLU A 32 -3.270 -8.181 0.024 1.00 30.30 C ATOM 515 O GLU A 32 -3.318 -8.303 1.251 1.00 21.33 O ATOM 516 CB GLU A 32 -1.703 -9.475 -1.442 1.00 33.13 C ATOM 517 CG GLU A 32 -1.288 -10.839 -1.989 1.00 61.21 C ATOM 518 CD GLU A 32 -2.178 -11.346 -3.112 1.00 35.30 C ATOM 519 OE1 GLU A 32 -2.469 -10.571 -4.050 1.00 13.44 O ATOM 520 OE2 GLU A 32 -2.578 -12.527 -3.065 1.00 62.50 O ATOM 0 H GLU A 32 -3.698 -9.371 -2.921 1.00 74.13 H new ATOM 0 HA GLU A 32 -3.348 -10.307 -0.315 1.00 53.43 H new ATOM 0 HB2 GLU A 32 -1.598 -8.735 -2.235 1.00 33.13 H new ATOM 0 HB3 GLU A 32 -1.011 -9.193 -0.648 1.00 33.13 H new ATOM 0 HG2 GLU A 32 -0.262 -10.778 -2.351 1.00 61.21 H new ATOM 0 HG3 GLU A 32 -1.297 -11.564 -1.175 1.00 61.21 H new ATOM 527 N LEU A 33 -3.326 -7.001 -0.588 1.00 55.33 N ATOM 528 CA LEU A 33 -3.470 -5.746 0.157 1.00 24.02 C ATOM 529 C LEU A 33 -4.813 -5.685 0.902 1.00 43.13 C ATOM 530 O LEU A 33 -4.887 -5.175 2.015 1.00 11.33 O ATOM 531 CB LEU A 33 -3.328 -4.546 -0.789 1.00 43.13 C ATOM 532 CG LEU A 33 -1.957 -4.409 -1.477 1.00 51.14 C ATOM 533 CD1 LEU A 33 -1.949 -3.223 -2.438 1.00 41.25 C ATOM 534 CD2 LEU A 33 -0.845 -4.272 -0.438 1.00 34.21 C ATOM 0 H LEU A 33 -3.274 -6.884 -1.600 1.00 55.33 H new ATOM 0 HA LEU A 33 -2.675 -5.706 0.902 1.00 24.02 H new ATOM 0 HB2 LEU A 33 -4.097 -4.618 -1.558 1.00 43.13 H new ATOM 0 HB3 LEU A 33 -3.526 -3.634 -0.225 1.00 43.13 H new ATOM 0 HG LEU A 33 -1.774 -5.314 -2.056 1.00 51.14 H new ATOM 0 HD11 LEU A 33 -0.971 -3.146 -2.912 1.00 41.25 H new ATOM 0 HD12 LEU A 33 -2.712 -3.369 -3.202 1.00 41.25 H new ATOM 0 HD13 LEU A 33 -2.158 -2.306 -1.886 1.00 41.25 H new ATOM 0 HD21 LEU A 33 0.116 -4.176 -0.944 1.00 34.21 H new ATOM 0 HD22 LEU A 33 -1.024 -3.386 0.172 1.00 34.21 H new ATOM 0 HD23 LEU A 33 -0.833 -5.155 0.200 1.00 34.21 H new ATOM 546 N SER A 34 -5.867 -6.208 0.279 1.00 14.43 N ATOM 547 CA SER A 34 -7.192 -6.300 0.925 1.00 71.02 C ATOM 548 C SER A 34 -7.180 -7.286 2.103 1.00 63.21 C ATOM 549 O SER A 34 -7.878 -7.097 3.099 1.00 63.01 O ATOM 550 CB SER A 34 -8.249 -6.739 -0.097 1.00 50.10 C ATOM 551 OG SER A 34 -9.516 -6.940 0.515 1.00 13.50 O ATOM 0 H SER A 34 -5.838 -6.577 -0.672 1.00 14.43 H new ATOM 0 HA SER A 34 -7.439 -5.311 1.310 1.00 71.02 H new ATOM 0 HB2 SER A 34 -8.337 -5.983 -0.878 1.00 50.10 H new ATOM 0 HB3 SER A 34 -7.927 -7.661 -0.581 1.00 50.10 H new ATOM 0 HG SER A 34 -10.071 -7.506 -0.061 1.00 13.50 H new ATOM 557 N TYR A 35 -6.388 -8.348 1.967 1.00 33.43 N ATOM 558 CA TYR A 35 -6.212 -9.347 3.029 1.00 45.44 C ATOM 559 C TYR A 35 -5.464 -8.761 4.242 1.00 22.13 C ATOM 560 O TYR A 35 -5.871 -8.962 5.390 1.00 43.11 O ATOM 561 CB TYR A 35 -5.474 -10.575 2.453 1.00 22.14 C ATOM 562 CG TYR A 35 -4.652 -11.374 3.456 1.00 61.10 C ATOM 563 CD1 TYR A 35 -5.259 -12.156 4.438 1.00 15.41 C ATOM 564 CD2 TYR A 35 -3.261 -11.344 3.411 1.00 61.03 C ATOM 565 CE1 TYR A 35 -4.500 -12.878 5.342 1.00 72.55 C ATOM 566 CE2 TYR A 35 -2.500 -12.062 4.311 1.00 23.14 C ATOM 567 CZ TYR A 35 -3.120 -12.828 5.271 1.00 40.24 C ATOM 568 OH TYR A 35 -2.357 -13.540 6.170 1.00 64.33 O ATOM 0 H TYR A 35 -5.850 -8.543 1.122 1.00 33.43 H new ATOM 0 HA TYR A 35 -7.194 -9.656 3.389 1.00 45.44 H new ATOM 0 HB2 TYR A 35 -6.209 -11.240 2.000 1.00 22.14 H new ATOM 0 HB3 TYR A 35 -4.814 -10.239 1.654 1.00 22.14 H new ATOM 0 HD1 TYR A 35 -6.337 -12.199 4.494 1.00 15.41 H new ATOM 0 HD2 TYR A 35 -2.768 -10.748 2.658 1.00 61.03 H new ATOM 0 HE1 TYR A 35 -4.983 -13.478 6.099 1.00 72.55 H new ATOM 0 HE2 TYR A 35 -1.422 -12.023 4.262 1.00 23.14 H new ATOM 0 HH TYR A 35 -1.407 -13.395 5.979 1.00 64.33 H new ATOM 578 N MET A 36 -4.377 -8.038 3.980 1.00 1.44 N ATOM 579 CA MET A 36 -3.576 -7.420 5.050 1.00 62.00 C ATOM 580 C MET A 36 -4.255 -6.162 5.619 1.00 10.33 C ATOM 581 O MET A 36 -4.412 -6.023 6.838 1.00 44.42 O ATOM 582 CB MET A 36 -2.168 -7.087 4.533 1.00 1.12 C ATOM 583 CG MET A 36 -1.333 -8.322 4.217 1.00 22.44 C ATOM 584 SD MET A 36 0.280 -7.932 3.512 1.00 14.44 S ATOM 585 CE MET A 36 -0.195 -7.298 1.903 1.00 40.52 C ATOM 0 H MET A 36 -4.026 -7.862 3.039 1.00 1.44 H new ATOM 0 HA MET A 36 -3.495 -8.141 5.863 1.00 62.00 H new ATOM 0 HB2 MET A 36 -2.254 -6.476 3.635 1.00 1.12 H new ATOM 0 HB3 MET A 36 -1.647 -6.486 5.279 1.00 1.12 H new ATOM 0 HG2 MET A 36 -1.192 -8.900 5.130 1.00 22.44 H new ATOM 0 HG3 MET A 36 -1.883 -8.955 3.520 1.00 22.44 H new ATOM 0 HE1 MET A 36 0.698 -7.013 1.346 1.00 40.52 H new ATOM 0 HE2 MET A 36 -0.735 -8.069 1.353 1.00 40.52 H new ATOM 0 HE3 MET A 36 -0.836 -6.426 2.030 1.00 40.52 H new ATOM 595 N VAL A 37 -4.662 -5.249 4.738 1.00 44.22 N ATOM 596 CA VAL A 37 -5.376 -4.031 5.146 1.00 64.23 C ATOM 597 C VAL A 37 -6.847 -4.088 4.697 1.00 63.13 C ATOM 598 O VAL A 37 -7.173 -3.794 3.544 1.00 1.13 O ATOM 599 CB VAL A 37 -4.712 -2.753 4.568 1.00 52.00 C ATOM 600 CG1 VAL A 37 -5.390 -1.492 5.108 1.00 33.31 C ATOM 601 CG2 VAL A 37 -3.215 -2.735 4.874 1.00 32.42 C ATOM 0 H VAL A 37 -4.511 -5.327 3.732 1.00 44.22 H new ATOM 0 HA VAL A 37 -5.327 -3.982 6.234 1.00 64.23 H new ATOM 0 HB VAL A 37 -4.839 -2.767 3.486 1.00 52.00 H new ATOM 0 HG11 VAL A 37 -4.906 -0.610 4.688 1.00 33.31 H new ATOM 0 HG12 VAL A 37 -6.443 -1.496 4.827 1.00 33.31 H new ATOM 0 HG13 VAL A 37 -5.304 -1.470 6.194 1.00 33.31 H new ATOM 0 HG21 VAL A 37 -2.770 -1.830 4.460 1.00 32.42 H new ATOM 0 HG22 VAL A 37 -3.064 -2.752 5.953 1.00 32.42 H new ATOM 0 HG23 VAL A 37 -2.742 -3.610 4.428 1.00 32.42 H new ATOM 611 N ASN A 38 -7.729 -4.474 5.613 1.00 25.54 N ATOM 612 CA ASN A 38 -9.158 -4.612 5.303 1.00 70.34 C ATOM 613 C ASN A 38 -9.853 -3.244 5.170 1.00 24.20 C ATOM 614 O ASN A 38 -10.503 -2.768 6.105 1.00 44.40 O ATOM 615 CB ASN A 38 -9.865 -5.460 6.371 1.00 14.44 C ATOM 616 CG ASN A 38 -9.403 -6.906 6.378 1.00 41.41 C ATOM 617 OD1 ASN A 38 -9.971 -7.755 5.697 1.00 71.43 O ATOM 618 ND2 ASN A 38 -8.386 -7.207 7.156 1.00 61.13 N ATOM 0 H ASN A 38 -7.485 -4.698 6.578 1.00 25.54 H new ATOM 0 HA ASN A 38 -9.230 -5.117 4.340 1.00 70.34 H new ATOM 0 HB2 ASN A 38 -9.686 -5.022 7.353 1.00 14.44 H new ATOM 0 HB3 ASN A 38 -10.941 -5.428 6.199 1.00 14.44 H new ATOM 0 HD21 ASN A 38 -8.049 -8.168 7.205 1.00 61.13 H new ATOM 0 HD22 ASN A 38 -7.935 -6.479 7.710 1.00 61.13 H new ATOM 625 N ILE A 39 -9.693 -2.606 4.011 1.00 33.45 N ATOM 626 CA ILE A 39 -10.385 -1.344 3.711 1.00 44.41 C ATOM 627 C ILE A 39 -11.086 -1.405 2.343 1.00 53.50 C ATOM 628 O ILE A 39 -10.694 -2.175 1.461 1.00 40.41 O ATOM 629 CB ILE A 39 -9.422 -0.123 3.748 1.00 24.10 C ATOM 630 CG1 ILE A 39 -8.226 -0.342 2.806 1.00 54.34 C ATOM 631 CG2 ILE A 39 -8.947 0.148 5.176 1.00 64.33 C ATOM 632 CD1 ILE A 39 -7.276 0.838 2.720 1.00 34.43 C ATOM 0 H ILE A 39 -9.089 -2.940 3.260 1.00 33.45 H new ATOM 0 HA ILE A 39 -11.134 -1.210 4.492 1.00 44.41 H new ATOM 0 HB ILE A 39 -9.970 0.753 3.400 1.00 24.10 H new ATOM 0 HG12 ILE A 39 -7.670 -1.218 3.141 1.00 54.34 H new ATOM 0 HG13 ILE A 39 -8.601 -0.565 1.807 1.00 54.34 H new ATOM 0 HG21 ILE A 39 -8.275 1.006 5.179 1.00 64.33 H new ATOM 0 HG22 ILE A 39 -9.807 0.359 5.812 1.00 64.33 H new ATOM 0 HG23 ILE A 39 -8.420 -0.727 5.557 1.00 64.33 H new ATOM 0 HD11 ILE A 39 -6.462 0.600 2.035 1.00 34.43 H new ATOM 0 HD12 ILE A 39 -7.814 1.712 2.354 1.00 34.43 H new ATOM 0 HD13 ILE A 39 -6.869 1.050 3.709 1.00 34.43 H new ATOM 644 N ASN A 40 -12.121 -0.584 2.175 1.00 24.33 N ATOM 645 CA ASN A 40 -12.944 -0.590 0.955 1.00 20.21 C ATOM 646 C ASN A 40 -12.130 -0.246 -0.310 1.00 41.10 C ATOM 647 O ASN A 40 -12.517 -0.617 -1.419 1.00 52.01 O ATOM 648 CB ASN A 40 -14.108 0.401 1.117 1.00 32.41 C ATOM 649 CG ASN A 40 -15.079 0.379 -0.052 1.00 2.40 C ATOM 650 OD1 ASN A 40 -14.838 1.208 -1.048 1.00 2.43 O flip ATOM 651 ND2 ASN A 40 -16.044 -0.379 -0.062 1.00 12.34 N flip ATOM 0 H ASN A 40 -12.416 0.101 2.871 1.00 24.33 H new ATOM 0 HA ASN A 40 -13.327 -1.602 0.822 1.00 20.21 H new ATOM 0 HB2 ASN A 40 -14.649 0.170 2.035 1.00 32.41 H new ATOM 0 HB3 ASN A 40 -13.707 1.408 1.229 1.00 32.41 H new ATOM 0 HD21 ASN A 40 -16.205 -1.010 0.723 1.00 12.34 H new ATOM 0 HD22 ASN A 40 -16.685 -0.378 -0.856 1.00 12.34 H new ATOM 658 N CYS A 41 -11.005 0.456 -0.132 1.00 4.44 N ATOM 659 CA CYS A 41 -10.150 0.886 -1.256 1.00 31.15 C ATOM 660 C CYS A 41 -9.853 -0.252 -2.248 1.00 30.15 C ATOM 661 O CYS A 41 -9.965 -0.077 -3.461 1.00 4.34 O ATOM 662 CB CYS A 41 -8.822 1.451 -0.730 1.00 43.41 C ATOM 663 SG CYS A 41 -8.990 2.927 0.302 1.00 41.12 S ATOM 0 H CYS A 41 -10.660 0.742 0.784 1.00 4.44 H new ATOM 0 HA CYS A 41 -10.706 1.657 -1.790 1.00 31.15 H new ATOM 0 HB2 CYS A 41 -8.315 0.677 -0.154 1.00 43.41 H new ATOM 0 HB3 CYS A 41 -8.181 1.688 -1.579 1.00 43.41 H new ATOM 0 HG CYS A 41 -7.844 3.208 0.848 1.00 41.12 H new ATOM 669 N PHE A 42 -9.480 -1.423 -1.730 1.00 54.54 N ATOM 670 CA PHE A 42 -9.103 -2.558 -2.588 1.00 35.13 C ATOM 671 C PHE A 42 -10.304 -3.481 -2.869 1.00 42.11 C ATOM 672 O PHE A 42 -10.173 -4.500 -3.547 1.00 13.21 O ATOM 673 CB PHE A 42 -7.976 -3.366 -1.927 1.00 72.23 C ATOM 674 CG PHE A 42 -6.871 -2.517 -1.347 1.00 3.04 C ATOM 675 CD1 PHE A 42 -6.217 -1.567 -2.120 1.00 12.22 C ATOM 676 CD2 PHE A 42 -6.484 -2.673 -0.022 1.00 54.41 C ATOM 677 CE1 PHE A 42 -5.205 -0.794 -1.583 1.00 63.31 C ATOM 678 CE2 PHE A 42 -5.474 -1.901 0.518 1.00 23.04 C ATOM 679 CZ PHE A 42 -4.833 -0.959 -0.262 1.00 74.30 C ATOM 0 H PHE A 42 -9.429 -1.614 -0.729 1.00 54.54 H new ATOM 0 HA PHE A 42 -8.757 -2.153 -3.539 1.00 35.13 H new ATOM 0 HB2 PHE A 42 -8.401 -3.982 -1.135 1.00 72.23 H new ATOM 0 HB3 PHE A 42 -7.549 -4.046 -2.665 1.00 72.23 H new ATOM 0 HD1 PHE A 42 -6.502 -1.431 -3.153 1.00 12.22 H new ATOM 0 HD2 PHE A 42 -6.980 -3.408 0.594 1.00 54.41 H new ATOM 0 HE1 PHE A 42 -4.704 -0.060 -2.196 1.00 63.31 H new ATOM 0 HE2 PHE A 42 -5.186 -2.034 1.550 1.00 23.04 H new ATOM 0 HZ PHE A 42 -4.044 -0.353 0.159 1.00 74.30 H new ATOM 689 N LYS A 43 -11.472 -3.117 -2.338 1.00 71.31 N ATOM 690 CA LYS A 43 -12.682 -3.944 -2.463 1.00 44.52 C ATOM 691 C LYS A 43 -13.674 -3.362 -3.485 1.00 71.40 C ATOM 692 O LYS A 43 -14.471 -4.093 -4.081 1.00 33.01 O ATOM 693 CB LYS A 43 -13.356 -4.079 -1.090 1.00 21.32 C ATOM 694 CG LYS A 43 -12.449 -4.693 -0.028 1.00 24.44 C ATOM 695 CD LYS A 43 -13.145 -4.816 1.324 1.00 14.34 C ATOM 696 CE LYS A 43 -12.232 -5.450 2.368 1.00 62.31 C ATOM 697 NZ LYS A 43 -11.752 -6.789 1.938 1.00 12.20 N ATOM 0 H LYS A 43 -11.610 -2.252 -1.815 1.00 71.31 H new ATOM 0 HA LYS A 43 -12.381 -4.927 -2.826 1.00 44.52 H new ATOM 0 HB2 LYS A 43 -13.681 -3.094 -0.755 1.00 21.32 H new ATOM 0 HB3 LYS A 43 -14.251 -4.693 -1.192 1.00 21.32 H new ATOM 0 HG2 LYS A 43 -12.123 -5.679 -0.358 1.00 24.44 H new ATOM 0 HG3 LYS A 43 -11.554 -4.081 0.081 1.00 24.44 H new ATOM 0 HD2 LYS A 43 -13.458 -3.829 1.664 1.00 14.34 H new ATOM 0 HD3 LYS A 43 -14.048 -5.417 1.216 1.00 14.34 H new ATOM 0 HE2 LYS A 43 -11.378 -4.798 2.548 1.00 62.31 H new ATOM 0 HE3 LYS A 43 -12.768 -5.542 3.313 1.00 62.31 H new ATOM 0 HZ1 LYS A 43 -11.769 -7.441 2.748 1.00 12.20 H new ATOM 0 HZ2 LYS A 43 -12.371 -7.155 1.187 1.00 12.20 H new ATOM 0 HZ3 LYS A 43 -10.780 -6.710 1.577 1.00 12.20 H new ATOM 711 N LYS A 44 -13.626 -2.048 -3.682 1.00 50.24 N ATOM 712 CA LYS A 44 -14.501 -1.376 -4.649 1.00 13.01 C ATOM 713 C LYS A 44 -13.730 -0.300 -5.430 1.00 0.25 C ATOM 714 O LYS A 44 -13.343 0.724 -4.865 1.00 23.42 O ATOM 715 CB LYS A 44 -15.705 -0.753 -3.927 1.00 65.30 C ATOM 716 CG LYS A 44 -16.731 -0.130 -4.868 1.00 22.04 C ATOM 717 CD LYS A 44 -17.957 0.377 -4.113 1.00 44.31 C ATOM 718 CE LYS A 44 -19.007 0.947 -5.060 1.00 42.24 C ATOM 719 NZ LYS A 44 -20.227 1.387 -4.336 1.00 63.13 N ATOM 0 H LYS A 44 -12.991 -1.423 -3.186 1.00 50.24 H new ATOM 0 HA LYS A 44 -14.861 -2.119 -5.361 1.00 13.01 H new ATOM 0 HB2 LYS A 44 -16.194 -1.520 -3.327 1.00 65.30 H new ATOM 0 HB3 LYS A 44 -15.348 0.011 -3.237 1.00 65.30 H new ATOM 0 HG2 LYS A 44 -16.272 0.696 -5.412 1.00 22.04 H new ATOM 0 HG3 LYS A 44 -17.040 -0.867 -5.609 1.00 22.04 H new ATOM 0 HD2 LYS A 44 -18.392 -0.439 -3.536 1.00 44.31 H new ATOM 0 HD3 LYS A 44 -17.654 1.145 -3.401 1.00 44.31 H new ATOM 0 HE2 LYS A 44 -18.584 1.791 -5.605 1.00 42.24 H new ATOM 0 HE3 LYS A 44 -19.276 0.193 -5.800 1.00 42.24 H new ATOM 0 HZ1 LYS A 44 -20.916 1.768 -5.016 1.00 63.13 H new ATOM 0 HZ2 LYS A 44 -20.646 0.576 -3.837 1.00 63.13 H new ATOM 0 HZ3 LYS A 44 -19.975 2.125 -3.648 1.00 63.13 H new ATOM 733 N ASP A 45 -13.520 -0.549 -6.724 1.00 71.44 N ATOM 734 CA ASP A 45 -12.727 0.340 -7.587 1.00 13.43 C ATOM 735 C ASP A 45 -11.265 0.432 -7.098 1.00 2.10 C ATOM 736 O ASP A 45 -10.862 1.414 -6.467 1.00 32.13 O ATOM 737 CB ASP A 45 -13.374 1.735 -7.676 1.00 23.22 C ATOM 738 CG ASP A 45 -12.670 2.656 -8.660 1.00 13.13 C ATOM 739 OD1 ASP A 45 -12.313 2.193 -9.768 1.00 74.34 O ATOM 740 OD2 ASP A 45 -12.494 3.853 -8.344 1.00 24.11 O ATOM 0 H ASP A 45 -13.891 -1.368 -7.205 1.00 71.44 H new ATOM 0 HA ASP A 45 -12.712 -0.088 -8.589 1.00 13.43 H new ATOM 0 HB2 ASP A 45 -14.418 1.627 -7.971 1.00 23.22 H new ATOM 0 HB3 ASP A 45 -13.368 2.196 -6.688 1.00 23.22 H new ATOM 745 N PRO A 46 -10.460 -0.616 -7.365 1.00 20.05 N ATOM 746 CA PRO A 46 -9.064 -0.684 -6.921 1.00 75.24 C ATOM 747 C PRO A 46 -8.070 -0.060 -7.920 1.00 61.21 C ATOM 748 O PRO A 46 -7.830 -0.598 -9.003 1.00 50.23 O ATOM 749 CB PRO A 46 -8.847 -2.196 -6.798 1.00 10.35 C ATOM 750 CG PRO A 46 -9.704 -2.793 -7.874 1.00 13.13 C ATOM 751 CD PRO A 46 -10.849 -1.829 -8.113 1.00 4.42 C ATOM 0 HA PRO A 46 -8.890 -0.120 -6.004 1.00 75.24 H new ATOM 0 HB2 PRO A 46 -7.798 -2.458 -6.936 1.00 10.35 H new ATOM 0 HB3 PRO A 46 -9.139 -2.559 -5.812 1.00 10.35 H new ATOM 0 HG2 PRO A 46 -9.128 -2.942 -8.787 1.00 13.13 H new ATOM 0 HG3 PRO A 46 -10.079 -3.770 -7.571 1.00 13.13 H new ATOM 0 HD2 PRO A 46 -10.978 -1.619 -9.175 1.00 4.42 H new ATOM 0 HD3 PRO A 46 -11.794 -2.235 -7.751 1.00 4.42 H new ATOM 759 N SER A 47 -7.499 1.086 -7.552 1.00 32.14 N ATOM 760 CA SER A 47 -6.502 1.765 -8.394 1.00 64.33 C ATOM 761 C SER A 47 -5.532 2.575 -7.528 1.00 54.24 C ATOM 762 O SER A 47 -5.878 2.973 -6.419 1.00 62.00 O ATOM 763 CB SER A 47 -7.184 2.683 -9.422 1.00 72.11 C ATOM 764 OG SER A 47 -8.058 1.950 -10.271 1.00 23.32 O ATOM 0 H SER A 47 -7.706 1.568 -6.677 1.00 32.14 H new ATOM 0 HA SER A 47 -5.941 1.002 -8.933 1.00 64.33 H new ATOM 0 HB2 SER A 47 -7.745 3.460 -8.903 1.00 72.11 H new ATOM 0 HB3 SER A 47 -6.426 3.185 -10.023 1.00 72.11 H new ATOM 0 HG SER A 47 -8.478 2.560 -10.913 1.00 23.32 H new ATOM 770 N ILE A 48 -4.325 2.817 -8.037 1.00 71.01 N ATOM 771 CA ILE A 48 -3.280 3.511 -7.266 1.00 53.31 C ATOM 772 C ILE A 48 -3.794 4.828 -6.651 1.00 53.44 C ATOM 773 O ILE A 48 -3.910 4.950 -5.430 1.00 21.31 O ATOM 774 CB ILE A 48 -2.032 3.803 -8.145 1.00 73.40 C ATOM 775 CG1 ILE A 48 -1.478 2.498 -8.753 1.00 62.21 C ATOM 776 CG2 ILE A 48 -0.950 4.521 -7.337 1.00 40.12 C ATOM 777 CD1 ILE A 48 -1.031 1.475 -7.728 1.00 42.22 C ATOM 0 H ILE A 48 -4.041 2.545 -8.978 1.00 71.01 H new ATOM 0 HA ILE A 48 -2.998 2.840 -6.455 1.00 53.31 H new ATOM 0 HB ILE A 48 -2.339 4.460 -8.959 1.00 73.40 H new ATOM 0 HG12 ILE A 48 -2.245 2.051 -9.385 1.00 62.21 H new ATOM 0 HG13 ILE A 48 -0.634 2.741 -9.399 1.00 62.21 H new ATOM 0 HG21 ILE A 48 -0.087 4.714 -7.975 1.00 40.12 H new ATOM 0 HG22 ILE A 48 -1.343 5.466 -6.962 1.00 40.12 H new ATOM 0 HG23 ILE A 48 -0.648 3.895 -6.497 1.00 40.12 H new ATOM 0 HD11 ILE A 48 -0.655 0.588 -8.239 1.00 42.22 H new ATOM 0 HD12 ILE A 48 -0.240 1.900 -7.110 1.00 42.22 H new ATOM 0 HD13 ILE A 48 -1.876 1.200 -7.097 1.00 42.22 H new ATOM 789 N LYS A 49 -4.126 5.799 -7.499 1.00 71.41 N ATOM 790 CA LYS A 49 -4.614 7.104 -7.029 1.00 25.15 C ATOM 791 C LYS A 49 -5.969 6.978 -6.301 1.00 41.35 C ATOM 792 O LYS A 49 -6.271 7.750 -5.383 1.00 23.32 O ATOM 793 CB LYS A 49 -4.729 8.084 -8.210 1.00 74.51 C ATOM 794 CG LYS A 49 -5.185 9.486 -7.807 1.00 61.53 C ATOM 795 CD LYS A 49 -5.216 10.447 -8.996 1.00 1.40 C ATOM 796 CE LYS A 49 -6.183 9.989 -10.087 1.00 14.51 C ATOM 797 NZ LYS A 49 -7.590 9.897 -9.601 1.00 64.13 N ATOM 0 H LYS A 49 -4.068 5.712 -8.514 1.00 71.41 H new ATOM 0 HA LYS A 49 -3.890 7.491 -6.312 1.00 25.15 H new ATOM 0 HB2 LYS A 49 -3.761 8.156 -8.706 1.00 74.51 H new ATOM 0 HB3 LYS A 49 -5.431 7.679 -8.939 1.00 74.51 H new ATOM 0 HG2 LYS A 49 -6.178 9.429 -7.362 1.00 61.53 H new ATOM 0 HG3 LYS A 49 -4.515 9.878 -7.042 1.00 61.53 H new ATOM 0 HD2 LYS A 49 -5.505 11.440 -8.651 1.00 1.40 H new ATOM 0 HD3 LYS A 49 -4.214 10.535 -9.415 1.00 1.40 H new ATOM 0 HE2 LYS A 49 -6.136 10.685 -10.925 1.00 14.51 H new ATOM 0 HE3 LYS A 49 -5.867 9.016 -10.463 1.00 14.51 H new ATOM 0 HZ1 LYS A 49 -8.222 9.699 -10.403 1.00 64.13 H new ATOM 0 HZ2 LYS A 49 -7.666 9.131 -8.902 1.00 64.13 H new ATOM 0 HZ3 LYS A 49 -7.864 10.798 -9.159 1.00 64.13 H new ATOM 811 N SER A 50 -6.774 5.995 -6.709 1.00 13.53 N ATOM 812 CA SER A 50 -8.078 5.736 -6.075 1.00 61.41 C ATOM 813 C SER A 50 -7.907 5.244 -4.630 1.00 14.11 C ATOM 814 O SER A 50 -8.808 5.387 -3.808 1.00 40.43 O ATOM 815 CB SER A 50 -8.888 4.708 -6.885 1.00 3.23 C ATOM 816 OG SER A 50 -9.106 5.154 -8.220 1.00 15.45 O ATOM 0 H SER A 50 -6.550 5.362 -7.476 1.00 13.53 H new ATOM 0 HA SER A 50 -8.624 6.679 -6.056 1.00 61.41 H new ATOM 0 HB2 SER A 50 -8.358 3.755 -6.900 1.00 3.23 H new ATOM 0 HB3 SER A 50 -9.847 4.532 -6.397 1.00 3.23 H new ATOM 0 HG SER A 50 -9.551 4.447 -8.732 1.00 15.45 H new ATOM 822 N SER A 51 -6.752 4.656 -4.329 1.00 11.24 N ATOM 823 CA SER A 51 -6.428 4.246 -2.957 1.00 74.22 C ATOM 824 C SER A 51 -5.690 5.364 -2.205 1.00 2.32 C ATOM 825 O SER A 51 -5.976 5.640 -1.040 1.00 21.51 O ATOM 826 CB SER A 51 -5.572 2.971 -2.960 1.00 2.24 C ATOM 827 OG SER A 51 -6.256 1.889 -3.576 1.00 75.11 O ATOM 0 H SER A 51 -6.023 4.451 -5.012 1.00 11.24 H new ATOM 0 HA SER A 51 -7.368 4.043 -2.443 1.00 74.22 H new ATOM 0 HB2 SER A 51 -4.637 3.160 -3.487 1.00 2.24 H new ATOM 0 HB3 SER A 51 -5.312 2.703 -1.936 1.00 2.24 H new ATOM 0 HG SER A 51 -6.282 2.028 -4.546 1.00 75.11 H new ATOM 833 N LEU A 52 -4.745 6.016 -2.889 1.00 42.23 N ATOM 834 CA LEU A 52 -3.956 7.106 -2.293 1.00 61.34 C ATOM 835 C LEU A 52 -4.850 8.202 -1.691 1.00 42.22 C ATOM 836 O LEU A 52 -4.541 8.752 -0.630 1.00 71.52 O ATOM 837 CB LEU A 52 -3.026 7.730 -3.341 1.00 31.12 C ATOM 838 CG LEU A 52 -1.956 6.793 -3.929 1.00 73.20 C ATOM 839 CD1 LEU A 52 -1.120 7.524 -4.979 1.00 52.15 C ATOM 840 CD2 LEU A 52 -1.068 6.224 -2.822 1.00 54.41 C ATOM 0 H LEU A 52 -4.505 5.809 -3.859 1.00 42.23 H new ATOM 0 HA LEU A 52 -3.365 6.668 -1.488 1.00 61.34 H new ATOM 0 HB2 LEU A 52 -3.636 8.113 -4.159 1.00 31.12 H new ATOM 0 HB3 LEU A 52 -2.524 8.586 -2.890 1.00 31.12 H new ATOM 0 HG LEU A 52 -2.460 5.959 -4.418 1.00 73.20 H new ATOM 0 HD11 LEU A 52 -0.369 6.845 -5.383 1.00 52.15 H new ATOM 0 HD12 LEU A 52 -1.768 7.869 -5.784 1.00 52.15 H new ATOM 0 HD13 LEU A 52 -0.626 8.380 -4.519 1.00 52.15 H new ATOM 0 HD21 LEU A 52 -0.319 5.564 -3.260 1.00 54.41 H new ATOM 0 HD22 LEU A 52 -0.571 7.041 -2.298 1.00 54.41 H new ATOM 0 HD23 LEU A 52 -1.680 5.661 -2.118 1.00 54.41 H new ATOM 852 N LYS A 53 -5.953 8.513 -2.377 1.00 54.21 N ATOM 853 CA LYS A 53 -6.902 9.540 -1.913 1.00 53.32 C ATOM 854 C LYS A 53 -7.394 9.252 -0.482 1.00 61.41 C ATOM 855 O LYS A 53 -7.669 10.172 0.288 1.00 52.14 O ATOM 856 CB LYS A 53 -8.103 9.629 -2.868 1.00 23.44 C ATOM 857 CG LYS A 53 -8.986 8.381 -2.868 1.00 60.44 C ATOM 858 CD LYS A 53 -10.084 8.447 -3.930 1.00 65.14 C ATOM 859 CE LYS A 53 -11.021 9.630 -3.722 1.00 72.21 C ATOM 860 NZ LYS A 53 -12.069 9.698 -4.779 1.00 65.52 N ATOM 0 H LYS A 53 -6.215 8.070 -3.258 1.00 54.21 H new ATOM 0 HA LYS A 53 -6.375 10.494 -1.905 1.00 53.32 H new ATOM 0 HB2 LYS A 53 -8.710 10.492 -2.594 1.00 23.44 H new ATOM 0 HB3 LYS A 53 -7.738 9.804 -3.880 1.00 23.44 H new ATOM 0 HG2 LYS A 53 -8.367 7.501 -3.043 1.00 60.44 H new ATOM 0 HG3 LYS A 53 -9.441 8.261 -1.885 1.00 60.44 H new ATOM 0 HD2 LYS A 53 -9.627 8.518 -4.917 1.00 65.14 H new ATOM 0 HD3 LYS A 53 -10.661 7.522 -3.911 1.00 65.14 H new ATOM 0 HE2 LYS A 53 -11.496 9.550 -2.744 1.00 72.21 H new ATOM 0 HE3 LYS A 53 -10.444 10.555 -3.722 1.00 72.21 H new ATOM 0 HZ1 LYS A 53 -12.687 10.516 -4.603 1.00 65.52 H new ATOM 0 HZ2 LYS A 53 -11.617 9.800 -5.710 1.00 65.52 H new ATOM 0 HZ3 LYS A 53 -12.636 8.826 -4.763 1.00 65.52 H new ATOM 874 N PHE A 54 -7.501 7.968 -0.138 1.00 3.33 N ATOM 875 CA PHE A 54 -7.926 7.546 1.202 1.00 2.34 C ATOM 876 C PHE A 54 -6.733 7.497 2.168 1.00 12.01 C ATOM 877 O PHE A 54 -6.826 7.954 3.309 1.00 0.25 O ATOM 878 CB PHE A 54 -8.606 6.169 1.121 1.00 55.33 C ATOM 879 CG PHE A 54 -9.109 5.642 2.446 1.00 0.03 C ATOM 880 CD1 PHE A 54 -10.306 6.099 2.982 1.00 63.53 C ATOM 881 CD2 PHE A 54 -8.389 4.685 3.148 1.00 53.01 C ATOM 882 CE1 PHE A 54 -10.773 5.611 4.189 1.00 3.20 C ATOM 883 CE2 PHE A 54 -8.851 4.195 4.356 1.00 42.24 C ATOM 884 CZ PHE A 54 -10.043 4.661 4.877 1.00 63.44 C ATOM 0 H PHE A 54 -7.298 7.195 -0.772 1.00 3.33 H new ATOM 0 HA PHE A 54 -8.638 8.276 1.586 1.00 2.34 H new ATOM 0 HB2 PHE A 54 -9.444 6.231 0.427 1.00 55.33 H new ATOM 0 HB3 PHE A 54 -7.899 5.452 0.703 1.00 55.33 H new ATOM 0 HD1 PHE A 54 -10.879 6.844 2.450 1.00 63.53 H new ATOM 0 HD2 PHE A 54 -7.456 4.318 2.746 1.00 53.01 H new ATOM 0 HE1 PHE A 54 -11.707 5.972 4.593 1.00 3.20 H new ATOM 0 HE2 PHE A 54 -8.281 3.450 4.891 1.00 42.24 H new ATOM 0 HZ PHE A 54 -10.404 4.283 5.822 1.00 63.44 H new ATOM 894 N LEU A 55 -5.609 6.957 1.696 1.00 1.25 N ATOM 895 CA LEU A 55 -4.404 6.801 2.523 1.00 74.51 C ATOM 896 C LEU A 55 -3.889 8.150 3.063 1.00 24.14 C ATOM 897 O LEU A 55 -3.460 8.244 4.210 1.00 14.21 O ATOM 898 CB LEU A 55 -3.300 6.112 1.711 1.00 52.04 C ATOM 899 CG LEU A 55 -3.653 4.714 1.173 1.00 60.30 C ATOM 900 CD1 LEU A 55 -2.488 4.129 0.375 1.00 63.33 C ATOM 901 CD2 LEU A 55 -4.056 3.780 2.312 1.00 72.41 C ATOM 0 H LEU A 55 -5.504 6.617 0.740 1.00 1.25 H new ATOM 0 HA LEU A 55 -4.675 6.186 3.381 1.00 74.51 H new ATOM 0 HB2 LEU A 55 -3.039 6.752 0.868 1.00 52.04 H new ATOM 0 HB3 LEU A 55 -2.411 6.029 2.336 1.00 52.04 H new ATOM 0 HG LEU A 55 -4.506 4.815 0.501 1.00 60.30 H new ATOM 0 HD11 LEU A 55 -2.761 3.141 0.005 1.00 63.33 H new ATOM 0 HD12 LEU A 55 -2.260 4.782 -0.467 1.00 63.33 H new ATOM 0 HD13 LEU A 55 -1.612 4.047 1.018 1.00 63.33 H new ATOM 0 HD21 LEU A 55 -4.301 2.798 1.908 1.00 72.41 H new ATOM 0 HD22 LEU A 55 -3.229 3.687 3.016 1.00 72.41 H new ATOM 0 HD23 LEU A 55 -4.926 4.188 2.827 1.00 72.41 H new ATOM 913 N ARG A 56 -3.922 9.190 2.226 1.00 22.50 N ATOM 914 CA ARG A 56 -3.478 10.533 2.640 1.00 64.35 C ATOM 915 C ARG A 56 -4.367 11.123 3.750 1.00 72.13 C ATOM 916 O ARG A 56 -3.912 11.946 4.551 1.00 72.44 O ATOM 917 CB ARG A 56 -3.464 11.492 1.441 1.00 43.42 C ATOM 918 CG ARG A 56 -4.791 11.548 0.685 1.00 3.44 C ATOM 919 CD ARG A 56 -4.849 12.725 -0.281 1.00 75.43 C ATOM 920 NE ARG A 56 -5.029 13.996 0.420 1.00 53.33 N ATOM 921 CZ ARG A 56 -4.378 15.094 0.144 1.00 11.20 C ATOM 922 NH1 ARG A 56 -3.444 15.106 -0.752 1.00 34.54 N ATOM 923 NH2 ARG A 56 -4.658 16.179 0.785 1.00 60.43 N ATOM 0 H ARG A 56 -4.249 9.134 1.261 1.00 22.50 H new ATOM 0 HA ARG A 56 -2.469 10.421 3.036 1.00 64.35 H new ATOM 0 HB2 ARG A 56 -3.212 12.493 1.791 1.00 43.42 H new ATOM 0 HB3 ARG A 56 -2.676 11.187 0.752 1.00 43.42 H new ATOM 0 HG2 ARG A 56 -4.933 10.619 0.133 1.00 3.44 H new ATOM 0 HG3 ARG A 56 -5.612 11.624 1.398 1.00 3.44 H new ATOM 0 HD2 ARG A 56 -3.930 12.760 -0.867 1.00 75.43 H new ATOM 0 HD3 ARG A 56 -5.669 12.578 -0.984 1.00 75.43 H new ATOM 0 HE ARG A 56 -5.711 14.027 1.178 1.00 53.33 H new ATOM 0 HH11 ARG A 56 -3.208 14.250 -1.254 1.00 34.54 H new ATOM 0 HH12 ARG A 56 -2.944 15.972 -0.956 1.00 34.54 H new ATOM 0 HH21 ARG A 56 -5.384 16.175 1.502 1.00 60.43 H new ATOM 0 HH22 ARG A 56 -4.154 17.040 0.575 1.00 60.43 H new ATOM 937 N LYS A 57 -5.634 10.717 3.783 1.00 64.34 N ATOM 938 CA LYS A 57 -6.591 11.241 4.765 1.00 5.24 C ATOM 939 C LYS A 57 -6.603 10.395 6.045 1.00 31.11 C ATOM 940 O LYS A 57 -6.714 10.924 7.152 1.00 64.33 O ATOM 941 CB LYS A 57 -8.003 11.281 4.166 1.00 63.55 C ATOM 942 CG LYS A 57 -8.093 12.040 2.845 1.00 40.10 C ATOM 943 CD LYS A 57 -9.534 12.158 2.354 1.00 74.31 C ATOM 944 CE LYS A 57 -10.210 10.797 2.222 1.00 1.02 C ATOM 945 NZ LYS A 57 -11.629 10.923 1.800 1.00 64.03 N ATOM 0 H LYS A 57 -6.026 10.027 3.142 1.00 64.34 H new ATOM 0 HA LYS A 57 -6.275 12.252 5.023 1.00 5.24 H new ATOM 0 HB2 LYS A 57 -8.350 10.260 4.011 1.00 63.55 H new ATOM 0 HB3 LYS A 57 -8.679 11.742 4.886 1.00 63.55 H new ATOM 0 HG2 LYS A 57 -7.669 13.036 2.969 1.00 40.10 H new ATOM 0 HG3 LYS A 57 -7.493 11.530 2.091 1.00 40.10 H new ATOM 0 HD2 LYS A 57 -10.103 12.779 3.047 1.00 74.31 H new ATOM 0 HD3 LYS A 57 -9.547 12.664 1.388 1.00 74.31 H new ATOM 0 HE2 LYS A 57 -9.668 10.191 1.496 1.00 1.02 H new ATOM 0 HE3 LYS A 57 -10.160 10.272 3.176 1.00 1.02 H new ATOM 0 HZ1 LYS A 57 -12.053 9.977 1.722 1.00 64.03 H new ATOM 0 HZ2 LYS A 57 -12.153 11.480 2.505 1.00 64.03 H new ATOM 0 HZ3 LYS A 57 -11.676 11.401 0.877 1.00 64.03 H new ATOM 959 N THR A 58 -6.502 9.078 5.877 1.00 44.40 N ATOM 960 CA THR A 58 -6.518 8.137 7.004 1.00 40.10 C ATOM 961 C THR A 58 -5.109 7.615 7.314 1.00 44.35 C ATOM 962 O THR A 58 -4.592 6.724 6.634 1.00 54.44 O ATOM 963 CB THR A 58 -7.474 6.951 6.721 1.00 21.13 C ATOM 964 OG1 THR A 58 -8.826 7.428 6.621 1.00 33.43 O ATOM 965 CG2 THR A 58 -7.397 5.892 7.813 1.00 41.45 C ATOM 0 H THR A 58 -6.407 8.632 4.965 1.00 44.40 H new ATOM 0 HA THR A 58 -6.882 8.679 7.877 1.00 40.10 H new ATOM 0 HB THR A 58 -7.164 6.495 5.780 1.00 21.13 H new ATOM 0 HG1 THR A 58 -9.351 6.810 6.071 1.00 33.43 H new ATOM 0 HG21 THR A 58 -8.082 5.077 7.578 1.00 41.45 H new ATOM 0 HG22 THR A 58 -6.380 5.505 7.874 1.00 41.45 H new ATOM 0 HG23 THR A 58 -7.674 6.335 8.770 1.00 41.45 H new ATOM 973 N ASP A 59 -4.507 8.165 8.363 1.00 31.12 N ATOM 974 CA ASP A 59 -3.108 7.892 8.702 1.00 21.11 C ATOM 975 C ASP A 59 -2.858 6.418 9.069 1.00 45.05 C ATOM 976 O ASP A 59 -1.880 5.820 8.611 1.00 54.24 O ATOM 977 CB ASP A 59 -2.672 8.802 9.848 1.00 22.32 C ATOM 978 CG ASP A 59 -2.792 10.270 9.484 1.00 3.12 C ATOM 979 OD1 ASP A 59 -1.849 10.812 8.872 1.00 12.24 O ATOM 980 OD2 ASP A 59 -3.829 10.888 9.798 1.00 61.14 O ATOM 0 H ASP A 59 -4.970 8.811 9.003 1.00 31.12 H new ATOM 0 HA ASP A 59 -2.513 8.098 7.812 1.00 21.11 H new ATOM 0 HB2 ASP A 59 -3.282 8.595 10.727 1.00 22.32 H new ATOM 0 HB3 ASP A 59 -1.640 8.578 10.116 1.00 22.32 H new ATOM 985 N TRP A 60 -3.735 5.827 9.889 1.00 31.24 N ATOM 986 CA TRP A 60 -3.540 4.434 10.322 1.00 1.33 C ATOM 987 C TRP A 60 -3.591 3.467 9.127 1.00 1.11 C ATOM 988 O TRP A 60 -2.989 2.398 9.155 1.00 24.02 O ATOM 989 CB TRP A 60 -4.557 4.023 11.407 1.00 1.24 C ATOM 990 CG TRP A 60 -5.985 3.926 10.943 1.00 2.41 C ATOM 991 CD1 TRP A 60 -6.959 4.876 11.075 1.00 41.41 C ATOM 992 CD2 TRP A 60 -6.608 2.803 10.292 1.00 63.24 C ATOM 993 NE1 TRP A 60 -8.139 4.418 10.541 1.00 44.05 N ATOM 994 CE2 TRP A 60 -7.950 3.153 10.053 1.00 4.20 C ATOM 995 CE3 TRP A 60 -6.157 1.541 9.881 1.00 11.40 C ATOM 996 CZ2 TRP A 60 -8.844 2.289 9.423 1.00 15.32 C ATOM 997 CZ3 TRP A 60 -7.047 0.684 9.259 1.00 15.05 C ATOM 998 CH2 TRP A 60 -8.378 1.061 9.035 1.00 42.31 C ATOM 0 H TRP A 60 -4.571 6.278 10.261 1.00 31.24 H new ATOM 0 HA TRP A 60 -2.546 4.372 10.765 1.00 1.33 H new ATOM 0 HB2 TRP A 60 -4.258 3.058 11.815 1.00 1.24 H new ATOM 0 HB3 TRP A 60 -4.505 4.744 12.223 1.00 1.24 H new ATOM 0 HD1 TRP A 60 -6.821 5.845 11.532 1.00 41.41 H new ATOM 0 HE1 TRP A 60 -9.016 4.938 10.513 1.00 44.05 H new ATOM 0 HE3 TRP A 60 -5.132 1.243 10.047 1.00 11.40 H new ATOM 0 HZ2 TRP A 60 -9.870 2.578 9.247 1.00 15.32 H new ATOM 0 HZ3 TRP A 60 -6.711 -0.292 8.941 1.00 15.05 H new ATOM 0 HH2 TRP A 60 -9.049 0.370 8.547 1.00 42.31 H new ATOM 1009 N ALA A 61 -4.317 3.844 8.077 1.00 0.15 N ATOM 1010 CA ALA A 61 -4.356 3.049 6.848 1.00 34.02 C ATOM 1011 C ALA A 61 -3.056 3.215 6.058 1.00 40.34 C ATOM 1012 O ALA A 61 -2.498 2.243 5.545 1.00 21.03 O ATOM 1013 CB ALA A 61 -5.554 3.441 5.996 1.00 44.11 C ATOM 0 H ALA A 61 -4.885 4.691 8.050 1.00 0.15 H new ATOM 0 HA ALA A 61 -4.459 1.999 7.122 1.00 34.02 H new ATOM 0 HB1 ALA A 61 -5.566 2.840 5.087 1.00 44.11 H new ATOM 0 HB2 ALA A 61 -6.472 3.268 6.558 1.00 44.11 H new ATOM 0 HB3 ALA A 61 -5.483 4.496 5.732 1.00 44.11 H new ATOM 1019 N ARG A 62 -2.571 4.456 5.977 1.00 24.43 N ATOM 1020 CA ARG A 62 -1.300 4.751 5.307 1.00 63.23 C ATOM 1021 C ARG A 62 -0.141 3.945 5.916 1.00 63.45 C ATOM 1022 O ARG A 62 0.528 3.178 5.220 1.00 51.00 O ATOM 1023 CB ARG A 62 -0.966 6.250 5.395 1.00 71.31 C ATOM 1024 CG ARG A 62 0.423 6.577 4.847 1.00 51.13 C ATOM 1025 CD ARG A 62 0.921 7.959 5.256 1.00 13.32 C ATOM 1026 NE ARG A 62 2.363 8.063 5.052 1.00 12.02 N ATOM 1027 CZ ARG A 62 3.137 8.955 5.598 1.00 42.43 C ATOM 1028 NH1 ARG A 62 2.648 9.922 6.306 1.00 5.04 N ATOM 1029 NH2 ARG A 62 4.414 8.861 5.431 1.00 33.04 N ATOM 0 H ARG A 62 -3.039 5.274 6.367 1.00 24.43 H new ATOM 0 HA ARG A 62 -1.420 4.465 4.262 1.00 63.23 H new ATOM 0 HB2 ARG A 62 -1.714 6.818 4.841 1.00 71.31 H new ATOM 0 HB3 ARG A 62 -1.027 6.571 6.435 1.00 71.31 H new ATOM 0 HG2 ARG A 62 1.130 5.825 5.196 1.00 51.13 H new ATOM 0 HG3 ARG A 62 0.401 6.513 3.759 1.00 51.13 H new ATOM 0 HD2 ARG A 62 0.409 8.724 4.672 1.00 13.32 H new ATOM 0 HD3 ARG A 62 0.682 8.143 6.303 1.00 13.32 H new ATOM 0 HE ARG A 62 2.799 7.381 4.431 1.00 12.02 H new ATOM 0 HH11 ARG A 62 1.640 9.994 6.444 1.00 5.04 H new ATOM 0 HH12 ARG A 62 3.271 10.612 6.726 1.00 5.04 H new ATOM 0 HH21 ARG A 62 4.801 8.096 4.878 1.00 33.04 H new ATOM 0 HH22 ARG A 62 5.036 9.552 5.852 1.00 33.04 H new ATOM 1043 N GLU A 63 0.091 4.117 7.220 1.00 13.12 N ATOM 1044 CA GLU A 63 1.244 3.488 7.880 1.00 14.31 C ATOM 1045 C GLU A 63 1.155 1.949 7.865 1.00 64.31 C ATOM 1046 O GLU A 63 2.173 1.267 7.973 1.00 43.50 O ATOM 1047 CB GLU A 63 1.434 4.041 9.310 1.00 10.41 C ATOM 1048 CG GLU A 63 0.288 3.770 10.288 1.00 1.40 C ATOM 1049 CD GLU A 63 0.310 2.364 10.873 1.00 2.52 C ATOM 1050 OE1 GLU A 63 1.410 1.875 11.226 1.00 22.14 O ATOM 1051 OE2 GLU A 63 -0.760 1.740 10.973 1.00 72.14 O ATOM 0 H GLU A 63 -0.496 4.680 7.836 1.00 13.12 H new ATOM 0 HA GLU A 63 2.131 3.750 7.304 1.00 14.31 H new ATOM 0 HB2 GLU A 63 2.348 3.616 9.725 1.00 10.41 H new ATOM 0 HB3 GLU A 63 1.584 5.119 9.245 1.00 10.41 H new ATOM 0 HG2 GLU A 63 0.336 4.494 11.101 1.00 1.40 H new ATOM 0 HG3 GLU A 63 -0.661 3.927 9.776 1.00 1.40 H new ATOM 1058 N ARG A 64 -0.060 1.403 7.725 1.00 60.11 N ATOM 1059 CA ARG A 64 -0.220 -0.034 7.452 1.00 20.21 C ATOM 1060 C ARG A 64 0.414 -0.396 6.100 1.00 33.25 C ATOM 1061 O ARG A 64 1.203 -1.336 6.002 1.00 21.32 O ATOM 1062 CB ARG A 64 -1.700 -0.451 7.452 1.00 63.34 C ATOM 1063 CG ARG A 64 -2.365 -0.517 8.828 1.00 53.23 C ATOM 1064 CD ARG A 64 -1.659 -1.484 9.781 1.00 1.32 C ATOM 1065 NE ARG A 64 -0.433 -0.910 10.325 1.00 13.32 N ATOM 1066 CZ ARG A 64 0.510 -1.584 10.916 1.00 65.41 C ATOM 1067 NH1 ARG A 64 0.428 -2.870 11.047 1.00 31.54 N ATOM 1068 NH2 ARG A 64 1.536 -0.956 11.386 1.00 35.45 N ATOM 0 H ARG A 64 -0.935 1.923 7.795 1.00 60.11 H new ATOM 0 HA ARG A 64 0.288 -0.575 8.251 1.00 20.21 H new ATOM 0 HB2 ARG A 64 -2.257 0.251 6.832 1.00 63.34 H new ATOM 0 HB3 ARG A 64 -1.784 -1.430 6.980 1.00 63.34 H new ATOM 0 HG2 ARG A 64 -2.375 0.479 9.270 1.00 53.23 H new ATOM 0 HG3 ARG A 64 -3.404 -0.824 8.710 1.00 53.23 H new ATOM 0 HD2 ARG A 64 -2.332 -1.745 10.598 1.00 1.32 H new ATOM 0 HD3 ARG A 64 -1.425 -2.408 9.253 1.00 1.32 H new ATOM 0 HE ARG A 64 -0.305 0.098 10.235 1.00 13.32 H new ATOM 0 HH11 ARG A 64 -0.384 -3.369 10.684 1.00 31.54 H new ATOM 0 HH12 ARG A 64 1.176 -3.384 11.513 1.00 31.54 H new ATOM 0 HH21 ARG A 64 1.601 0.058 11.292 1.00 35.45 H new ATOM 0 HH22 ARG A 64 2.282 -1.474 11.851 1.00 35.45 H new ATOM 1082 N VAL A 65 0.066 0.373 5.065 1.00 12.41 N ATOM 1083 CA VAL A 65 0.609 0.172 3.717 1.00 23.45 C ATOM 1084 C VAL A 65 2.145 0.287 3.708 1.00 33.44 C ATOM 1085 O VAL A 65 2.845 -0.596 3.208 1.00 51.44 O ATOM 1086 CB VAL A 65 0.004 1.196 2.722 1.00 13.43 C ATOM 1087 CG1 VAL A 65 0.603 1.028 1.330 1.00 23.02 C ATOM 1088 CG2 VAL A 65 -1.517 1.062 2.675 1.00 63.22 C ATOM 0 H VAL A 65 -0.595 1.147 5.135 1.00 12.41 H new ATOM 0 HA VAL A 65 0.335 -0.835 3.404 1.00 23.45 H new ATOM 0 HB VAL A 65 0.252 2.197 3.074 1.00 13.43 H new ATOM 0 HG11 VAL A 65 0.161 1.759 0.653 1.00 23.02 H new ATOM 0 HG12 VAL A 65 1.681 1.183 1.377 1.00 23.02 H new ATOM 0 HG13 VAL A 65 0.396 0.022 0.964 1.00 23.02 H new ATOM 0 HG21 VAL A 65 -1.925 1.788 1.972 1.00 63.22 H new ATOM 0 HG22 VAL A 65 -1.784 0.055 2.353 1.00 63.22 H new ATOM 0 HG23 VAL A 65 -1.929 1.247 3.667 1.00 63.22 H new ATOM 1098 N GLU A 66 2.662 1.371 4.284 1.00 45.41 N ATOM 1099 CA GLU A 66 4.112 1.586 4.376 1.00 52.23 C ATOM 1100 C GLU A 66 4.785 0.472 5.194 1.00 24.32 C ATOM 1101 O GLU A 66 5.899 0.044 4.884 1.00 12.23 O ATOM 1102 CB GLU A 66 4.410 2.959 4.994 1.00 71.35 C ATOM 1103 CG GLU A 66 3.802 4.122 4.215 1.00 61.04 C ATOM 1104 CD GLU A 66 4.089 5.473 4.848 1.00 51.20 C ATOM 1105 OE1 GLU A 66 3.806 5.637 6.049 1.00 1.42 O ATOM 1106 OE2 GLU A 66 4.571 6.387 4.140 1.00 0.55 O ATOM 0 H GLU A 66 2.101 2.117 4.695 1.00 45.41 H new ATOM 0 HA GLU A 66 4.523 1.559 3.367 1.00 52.23 H new ATOM 0 HB2 GLU A 66 4.031 2.979 6.016 1.00 71.35 H new ATOM 0 HB3 GLU A 66 5.490 3.096 5.052 1.00 71.35 H new ATOM 0 HG2 GLU A 66 4.191 4.114 3.197 1.00 61.04 H new ATOM 0 HG3 GLU A 66 2.723 3.981 4.145 1.00 61.04 H new ATOM 1113 N ASN A 67 4.095 0.000 6.234 1.00 51.43 N ATOM 1114 CA ASN A 67 4.580 -1.126 7.041 1.00 21.21 C ATOM 1115 C ASN A 67 4.692 -2.402 6.192 1.00 3.21 C ATOM 1116 O ASN A 67 5.652 -3.164 6.320 1.00 2.30 O ATOM 1117 CB ASN A 67 3.644 -1.359 8.234 1.00 34.33 C ATOM 1118 CG ASN A 67 4.126 -2.462 9.159 1.00 64.12 C ATOM 1119 OD1 ASN A 67 5.318 -2.695 9.310 1.00 31.41 O ATOM 1120 ND2 ASN A 67 3.195 -3.153 9.785 1.00 42.54 N ATOM 0 H ASN A 67 3.198 0.379 6.539 1.00 51.43 H new ATOM 0 HA ASN A 67 5.574 -0.880 7.413 1.00 21.21 H new ATOM 0 HB2 ASN A 67 3.549 -0.433 8.801 1.00 34.33 H new ATOM 0 HB3 ASN A 67 2.650 -1.610 7.865 1.00 34.33 H new ATOM 0 HD21 ASN A 67 3.459 -3.908 10.418 1.00 42.54 H new ATOM 0 HD22 ASN A 67 2.210 -2.933 9.637 1.00 42.54 H new ATOM 1127 N ILE A 68 3.711 -2.629 5.319 1.00 1.32 N ATOM 1128 CA ILE A 68 3.752 -3.762 4.391 1.00 42.34 C ATOM 1129 C ILE A 68 4.989 -3.683 3.484 1.00 71.22 C ATOM 1130 O ILE A 68 5.624 -4.699 3.187 1.00 42.03 O ATOM 1131 CB ILE A 68 2.476 -3.833 3.513 1.00 24.10 C ATOM 1132 CG1 ILE A 68 1.223 -3.978 4.392 1.00 65.41 C ATOM 1133 CG2 ILE A 68 2.568 -4.996 2.525 1.00 73.42 C ATOM 1134 CD1 ILE A 68 -0.075 -3.949 3.611 1.00 51.21 C ATOM 0 H ILE A 68 2.879 -2.045 5.234 1.00 1.32 H new ATOM 0 HA ILE A 68 3.805 -4.666 4.998 1.00 42.34 H new ATOM 0 HB ILE A 68 2.398 -2.904 2.948 1.00 24.10 H new ATOM 0 HG12 ILE A 68 1.284 -4.916 4.944 1.00 65.41 H new ATOM 0 HG13 ILE A 68 1.212 -3.175 5.129 1.00 65.41 H new ATOM 0 HG21 ILE A 68 1.664 -5.030 1.918 1.00 73.42 H new ATOM 0 HG22 ILE A 68 3.434 -4.856 1.878 1.00 73.42 H new ATOM 0 HG23 ILE A 68 2.672 -5.932 3.074 1.00 73.42 H new ATOM 0 HD11 ILE A 68 -0.915 -4.057 4.297 1.00 51.21 H new ATOM 0 HD12 ILE A 68 -0.159 -3.001 3.080 1.00 51.21 H new ATOM 0 HD13 ILE A 68 -0.086 -4.769 2.893 1.00 51.21 H new ATOM 1146 N TYR A 69 5.331 -2.469 3.052 1.00 74.31 N ATOM 1147 CA TYR A 69 6.540 -2.250 2.254 1.00 13.41 C ATOM 1148 C TYR A 69 7.796 -2.628 3.054 1.00 30.34 C ATOM 1149 O TYR A 69 8.751 -3.176 2.503 1.00 12.04 O ATOM 1150 CB TYR A 69 6.617 -0.794 1.779 1.00 44.42 C ATOM 1151 CG TYR A 69 7.792 -0.516 0.859 1.00 4.22 C ATOM 1152 CD1 TYR A 69 7.769 -0.924 -0.471 1.00 4.43 C ATOM 1153 CD2 TYR A 69 8.927 0.143 1.319 1.00 1.44 C ATOM 1154 CE1 TYR A 69 8.841 -0.687 -1.311 1.00 61.44 C ATOM 1155 CE2 TYR A 69 10.000 0.386 0.484 1.00 53.23 C ATOM 1156 CZ TYR A 69 9.953 -0.031 -0.828 1.00 23.13 C ATOM 1157 OH TYR A 69 11.028 0.201 -1.660 1.00 50.43 O ATOM 0 H TYR A 69 4.791 -1.624 3.240 1.00 74.31 H new ATOM 0 HA TYR A 69 6.491 -2.894 1.376 1.00 13.41 H new ATOM 0 HB2 TYR A 69 5.692 -0.540 1.260 1.00 44.42 H new ATOM 0 HB3 TYR A 69 6.684 -0.140 2.648 1.00 44.42 H new ATOM 0 HD1 TYR A 69 6.898 -1.435 -0.854 1.00 4.43 H new ATOM 0 HD2 TYR A 69 8.970 0.471 2.347 1.00 1.44 H new ATOM 0 HE1 TYR A 69 8.807 -1.014 -2.340 1.00 61.44 H new ATOM 0 HE2 TYR A 69 10.872 0.901 0.858 1.00 53.23 H new ATOM 0 HH TYR A 69 11.729 0.675 -1.165 1.00 50.43 H new ATOM 1167 N LEU A 70 7.784 -2.340 4.356 1.00 11.43 N ATOM 1168 CA LEU A 70 8.865 -2.777 5.247 1.00 14.24 C ATOM 1169 C LEU A 70 8.977 -4.312 5.251 1.00 73.24 C ATOM 1170 O LEU A 70 10.070 -4.867 5.116 1.00 32.03 O ATOM 1171 CB LEU A 70 8.629 -2.259 6.676 1.00 31.01 C ATOM 1172 CG LEU A 70 8.640 -0.728 6.830 1.00 53.25 C ATOM 1173 CD1 LEU A 70 8.326 -0.320 8.267 1.00 75.32 C ATOM 1174 CD2 LEU A 70 9.983 -0.149 6.387 1.00 5.35 C ATOM 0 H LEU A 70 7.044 -1.810 4.817 1.00 11.43 H new ATOM 0 HA LEU A 70 9.802 -2.361 4.875 1.00 14.24 H new ATOM 0 HB2 LEU A 70 7.669 -2.636 7.028 1.00 31.01 H new ATOM 0 HB3 LEU A 70 9.395 -2.679 7.328 1.00 31.01 H new ATOM 0 HG LEU A 70 7.861 -0.320 6.185 1.00 53.25 H new ATOM 0 HD11 LEU A 70 8.340 0.767 8.348 1.00 75.32 H new ATOM 0 HD12 LEU A 70 7.339 -0.692 8.543 1.00 75.32 H new ATOM 0 HD13 LEU A 70 9.074 -0.744 8.937 1.00 75.32 H new ATOM 0 HD21 LEU A 70 9.969 0.935 6.504 1.00 5.35 H new ATOM 0 HD22 LEU A 70 10.780 -0.570 7.000 1.00 5.35 H new ATOM 0 HD23 LEU A 70 10.159 -0.398 5.341 1.00 5.35 H new ATOM 1186 N LYS A 71 7.835 -4.994 5.389 1.00 52.50 N ATOM 1187 CA LYS A 71 7.793 -6.460 5.286 1.00 13.15 C ATOM 1188 C LYS A 71 8.217 -6.928 3.885 1.00 3.32 C ATOM 1189 O LYS A 71 8.763 -8.021 3.729 1.00 72.11 O ATOM 1190 CB LYS A 71 6.393 -7.013 5.626 1.00 61.53 C ATOM 1191 CG LYS A 71 6.118 -7.162 7.124 1.00 51.33 C ATOM 1192 CD LYS A 71 5.954 -5.818 7.828 1.00 42.40 C ATOM 1193 CE LYS A 71 5.831 -5.976 9.340 1.00 12.24 C ATOM 1194 NZ LYS A 71 4.772 -6.947 9.717 1.00 11.55 N ATOM 0 H LYS A 71 6.931 -4.559 5.571 1.00 52.50 H new ATOM 0 HA LYS A 71 8.501 -6.853 6.016 1.00 13.15 H new ATOM 0 HB2 LYS A 71 5.641 -6.353 5.195 1.00 61.53 H new ATOM 0 HB3 LYS A 71 6.274 -7.986 5.149 1.00 61.53 H new ATOM 0 HG2 LYS A 71 5.215 -7.755 7.266 1.00 51.33 H new ATOM 0 HG3 LYS A 71 6.937 -7.713 7.587 1.00 51.33 H new ATOM 0 HD2 LYS A 71 6.809 -5.182 7.598 1.00 42.40 H new ATOM 0 HD3 LYS A 71 5.068 -5.313 7.443 1.00 42.40 H new ATOM 0 HE2 LYS A 71 6.786 -6.306 9.748 1.00 12.24 H new ATOM 0 HE3 LYS A 71 5.610 -5.007 9.788 1.00 12.24 H new ATOM 0 HZ1 LYS A 71 4.618 -6.911 10.745 1.00 11.55 H new ATOM 0 HZ2 LYS A 71 3.888 -6.705 9.226 1.00 11.55 H new ATOM 0 HZ3 LYS A 71 5.068 -7.906 9.445 1.00 11.55 H new ATOM 1208 N LEU A 72 7.959 -6.103 2.871 1.00 11.31 N ATOM 1209 CA LEU A 72 8.401 -6.395 1.504 1.00 3.14 C ATOM 1210 C LEU A 72 9.935 -6.360 1.408 1.00 42.23 C ATOM 1211 O LEU A 72 10.550 -7.225 0.785 1.00 53.31 O ATOM 1212 CB LEU A 72 7.783 -5.395 0.512 1.00 73.13 C ATOM 1213 CG LEU A 72 8.194 -5.584 -0.960 1.00 24.03 C ATOM 1214 CD1 LEU A 72 7.788 -6.968 -1.465 1.00 30.24 C ATOM 1215 CD2 LEU A 72 7.589 -4.488 -1.838 1.00 14.33 C ATOM 0 H LEU A 72 7.446 -5.227 2.968 1.00 11.31 H new ATOM 0 HA LEU A 72 8.062 -7.398 1.245 1.00 3.14 H new ATOM 0 HB2 LEU A 72 6.697 -5.466 0.580 1.00 73.13 H new ATOM 0 HB3 LEU A 72 8.057 -4.386 0.821 1.00 73.13 H new ATOM 0 HG LEU A 72 9.280 -5.507 -1.020 1.00 24.03 H new ATOM 0 HD11 LEU A 72 8.089 -7.078 -2.507 1.00 30.24 H new ATOM 0 HD12 LEU A 72 8.278 -7.733 -0.863 1.00 30.24 H new ATOM 0 HD13 LEU A 72 6.707 -7.082 -1.386 1.00 30.24 H new ATOM 0 HD21 LEU A 72 7.893 -4.642 -2.873 1.00 14.33 H new ATOM 0 HD22 LEU A 72 6.502 -4.526 -1.770 1.00 14.33 H new ATOM 0 HD23 LEU A 72 7.940 -3.514 -1.498 1.00 14.33 H new ATOM 1227 N GLN A 73 10.546 -5.357 2.042 1.00 54.22 N ATOM 1228 CA GLN A 73 12.008 -5.260 2.095 1.00 64.31 C ATOM 1229 C GLN A 73 12.598 -6.462 2.845 1.00 72.43 C ATOM 1230 O GLN A 73 13.649 -6.988 2.479 1.00 74.22 O ATOM 1231 CB GLN A 73 12.441 -3.949 2.772 1.00 53.41 C ATOM 1232 CG GLN A 73 11.849 -2.685 2.145 1.00 60.25 C ATOM 1233 CD GLN A 73 12.121 -2.571 0.654 1.00 42.44 C ATOM 1234 OE1 GLN A 73 13.134 -2.031 0.234 1.00 10.15 O ATOM 1235 NE2 GLN A 73 11.210 -3.072 -0.155 1.00 32.41 N ATOM 0 H GLN A 73 10.055 -4.604 2.524 1.00 54.22 H new ATOM 0 HA GLN A 73 12.387 -5.264 1.073 1.00 64.31 H new ATOM 0 HB2 GLN A 73 12.155 -3.986 3.823 1.00 53.41 H new ATOM 0 HB3 GLN A 73 13.528 -3.880 2.740 1.00 53.41 H new ATOM 0 HG2 GLN A 73 10.772 -2.674 2.313 1.00 60.25 H new ATOM 0 HG3 GLN A 73 12.259 -1.811 2.650 1.00 60.25 H new ATOM 0 HE21 GLN A 73 10.376 -3.516 0.229 1.00 32.41 H new ATOM 0 HE22 GLN A 73 11.339 -3.016 -1.165 1.00 32.41 H new