USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 878 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 13 SER OG : rot 180:sc= -0.872 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 17 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 170:sc=-0.00744 (180deg=-0.176) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0745) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.646 F(o=-1.3,f=-0.65) USER MOD Single : A 44 SER OG : rot 89:sc= 0.747 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 67:sc= -0.373 USER MOD Single : A 62 THR OG1 : rot 88:sc= 1.23 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -98:sc= -1.1 USER MOD Single : A 78 SER OG : rot 160:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 1.38 K(o=1.4,f=-5.3!) USER MOD Single : A 87 CYS SG : rot 147:sc= -1.32! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.953 K(o=0.95,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.737 X(o=-0.74,f=-0.54) USER MOD Single : A 105 GLN : amide:sc= -0.927 K(o=-0.93,f=-5.7!) USER MOD Single : A 106 ASN : amide:sc= 0.277 K(o=0.28,f=-0.28) USER MOD Single : A 108 ASN : amide:sc= -1.36 K(o=-1.4,f=-12!) USER MOD Single : A 109 LYS NZ :NH3+ -143:sc= 0.903 (180deg=-0.71!) USER MOD Single : A 112 SER OG : rot 90:sc= 1.19 USER MOD Single : A 113 SER OG : rot 59:sc= 0.723 USER MOD Single : A 116 THR OG1 : rot 71:sc= 0.534 USER MOD Single : A 118 ASN : amide:sc= 1.15 K(o=1.2,f=-0.0018) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -87:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 195 N SER A 13 2.456 6.869 -13.218 1.00 71.23 N ATOM 196 CA SER A 13 1.594 6.184 -12.246 1.00 10.52 C ATOM 197 C SER A 13 2.118 6.354 -10.818 1.00 53.21 C ATOM 198 O SER A 13 1.363 6.671 -9.900 1.00 53.53 O ATOM 199 CB SER A 13 1.503 4.692 -12.581 1.00 44.23 C ATOM 200 OG SER A 13 2.789 4.091 -12.577 1.00 44.02 O ATOM 0 HA SER A 13 0.604 6.635 -12.306 1.00 10.52 H new ATOM 0 HB2 SER A 13 0.861 4.191 -11.856 1.00 44.23 H new ATOM 0 HB3 SER A 13 1.040 4.563 -13.559 1.00 44.23 H new ATOM 0 HG SER A 13 2.706 3.139 -12.792 1.00 44.02 H new ATOM 206 N ALA A 14 3.415 6.140 -10.634 1.00 34.24 N ATOM 207 CA ALA A 14 4.051 6.331 -9.327 1.00 70.04 C ATOM 208 C ALA A 14 3.842 7.756 -8.790 1.00 31.11 C ATOM 209 O ALA A 14 3.541 7.945 -7.613 1.00 3.21 O ATOM 210 CB ALA A 14 5.536 6.013 -9.416 1.00 21.22 C ATOM 0 H ALA A 14 4.051 5.834 -11.370 1.00 34.24 H new ATOM 0 HA ALA A 14 3.577 5.645 -8.626 1.00 70.04 H new ATOM 0 HB1 ALA A 14 5.998 6.158 -8.440 1.00 21.22 H new ATOM 0 HB2 ALA A 14 5.668 4.978 -9.730 1.00 21.22 H new ATOM 0 HB3 ALA A 14 6.007 6.675 -10.143 1.00 21.22 H new ATOM 216 N GLU A 15 3.982 8.750 -9.669 1.00 40.41 N ATOM 217 CA GLU A 15 3.825 10.159 -9.286 1.00 71.44 C ATOM 218 C GLU A 15 2.415 10.445 -8.743 1.00 23.41 C ATOM 219 O GLU A 15 2.260 11.007 -7.654 1.00 34.22 O ATOM 220 CB GLU A 15 4.114 11.078 -10.482 1.00 53.15 C ATOM 221 CG GLU A 15 5.540 10.988 -11.017 1.00 71.14 C ATOM 222 CD GLU A 15 5.803 11.990 -12.133 1.00 45.01 C ATOM 223 OE1 GLU A 15 6.036 13.181 -11.831 1.00 51.00 O ATOM 224 OE2 GLU A 15 5.766 11.600 -13.316 1.00 22.33 O ATOM 0 H GLU A 15 4.204 8.607 -10.654 1.00 40.41 H new ATOM 0 HA GLU A 15 4.544 10.361 -8.492 1.00 71.44 H new ATOM 0 HB2 GLU A 15 3.421 10.835 -11.287 1.00 53.15 H new ATOM 0 HB3 GLU A 15 3.913 12.109 -10.189 1.00 53.15 H new ATOM 0 HG2 GLU A 15 6.243 11.162 -10.202 1.00 71.14 H new ATOM 0 HG3 GLU A 15 5.724 9.979 -11.387 1.00 71.14 H new ATOM 231 N GLN A 16 1.390 10.054 -9.503 1.00 24.00 N ATOM 232 CA GLN A 16 -0.004 10.268 -9.086 1.00 11.50 C ATOM 233 C GLN A 16 -0.344 9.441 -7.832 1.00 50.52 C ATOM 234 O GLN A 16 -1.150 9.864 -6.999 1.00 24.22 O ATOM 235 CB GLN A 16 -0.981 9.922 -10.225 1.00 50.43 C ATOM 236 CG GLN A 16 -1.021 8.440 -10.588 1.00 54.33 C ATOM 237 CD GLN A 16 -2.052 8.112 -11.658 1.00 14.00 C ATOM 238 OE1 GLN A 16 -2.350 8.924 -12.528 1.00 52.24 O ATOM 239 NE2 GLN A 16 -2.607 6.917 -11.598 1.00 21.23 N ATOM 0 H GLN A 16 1.494 9.590 -10.405 1.00 24.00 H new ATOM 0 HA GLN A 16 -0.112 11.325 -8.843 1.00 11.50 H new ATOM 0 HB2 GLN A 16 -1.983 10.241 -9.938 1.00 50.43 H new ATOM 0 HB3 GLN A 16 -0.705 10.494 -11.111 1.00 50.43 H new ATOM 0 HG2 GLN A 16 -0.035 8.131 -10.936 1.00 54.33 H new ATOM 0 HG3 GLN A 16 -1.239 7.859 -9.692 1.00 54.33 H new ATOM 0 HE21 GLN A 16 -2.336 6.265 -10.861 1.00 21.23 H new ATOM 0 HE22 GLN A 16 -3.307 6.644 -12.288 1.00 21.23 H new ATOM 248 N THR A 17 0.278 8.264 -7.704 1.00 62.53 N ATOM 249 CA THR A 17 0.067 7.391 -6.538 1.00 14.55 C ATOM 250 C THR A 17 0.567 8.052 -5.246 1.00 14.21 C ATOM 251 O THR A 17 -0.110 8.007 -4.221 1.00 73.11 O ATOM 252 CB THR A 17 0.761 6.015 -6.711 1.00 63.41 C ATOM 253 OG1 THR A 17 0.242 5.344 -7.869 1.00 42.13 O ATOM 254 CG2 THR A 17 0.560 5.128 -5.483 1.00 71.52 C ATOM 0 H THR A 17 0.932 7.892 -8.392 1.00 62.53 H new ATOM 0 HA THR A 17 -1.009 7.231 -6.465 1.00 14.55 H new ATOM 0 HB THR A 17 1.829 6.197 -6.834 1.00 63.41 H new ATOM 0 HG1 THR A 17 0.769 5.595 -8.656 1.00 42.13 H new ATOM 0 HG21 THR A 17 1.060 4.172 -5.639 1.00 71.52 H new ATOM 0 HG22 THR A 17 0.982 5.619 -4.606 1.00 71.52 H new ATOM 0 HG23 THR A 17 -0.505 4.959 -5.326 1.00 71.52 H new ATOM 262 N VAL A 18 1.753 8.668 -5.300 1.00 31.13 N ATOM 263 CA VAL A 18 2.281 9.418 -4.149 1.00 60.11 C ATOM 264 C VAL A 18 1.253 10.449 -3.653 1.00 22.42 C ATOM 265 O VAL A 18 0.891 10.470 -2.476 1.00 62.04 O ATOM 266 CB VAL A 18 3.607 10.150 -4.500 1.00 11.44 C ATOM 267 CG1 VAL A 18 4.122 10.959 -3.309 1.00 50.12 C ATOM 268 CG2 VAL A 18 4.669 9.159 -4.974 1.00 54.44 C ATOM 0 H VAL A 18 2.362 8.664 -6.118 1.00 31.13 H new ATOM 0 HA VAL A 18 2.481 8.692 -3.361 1.00 60.11 H new ATOM 0 HB VAL A 18 3.397 10.843 -5.315 1.00 11.44 H new ATOM 0 HG11 VAL A 18 5.050 11.460 -3.584 1.00 50.12 H new ATOM 0 HG12 VAL A 18 3.378 11.703 -3.026 1.00 50.12 H new ATOM 0 HG13 VAL A 18 4.305 10.291 -2.467 1.00 50.12 H new ATOM 0 HG21 VAL A 18 5.587 9.696 -5.213 1.00 54.44 H new ATOM 0 HG22 VAL A 18 4.868 8.434 -4.185 1.00 54.44 H new ATOM 0 HG23 VAL A 18 4.311 8.639 -5.863 1.00 54.44 H new ATOM 278 N THR A 19 0.769 11.286 -4.572 1.00 2.23 N ATOM 279 CA THR A 19 -0.266 12.283 -4.257 1.00 52.22 C ATOM 280 C THR A 19 -1.536 11.618 -3.700 1.00 51.00 C ATOM 281 O THR A 19 -2.152 12.118 -2.758 1.00 0.14 O ATOM 282 CB THR A 19 -0.648 13.112 -5.509 1.00 71.25 C ATOM 283 OG1 THR A 19 0.520 13.743 -6.061 1.00 21.03 O ATOM 284 CG2 THR A 19 -1.694 14.175 -5.176 1.00 52.05 C ATOM 0 H THR A 19 1.076 11.296 -5.545 1.00 2.23 H new ATOM 0 HA THR A 19 0.157 12.943 -3.500 1.00 52.22 H new ATOM 0 HB THR A 19 -1.075 12.428 -6.242 1.00 71.25 H new ATOM 0 HG1 THR A 19 0.268 14.263 -6.853 1.00 21.03 H new ATOM 0 HG21 THR A 19 -1.939 14.738 -6.076 1.00 52.05 H new ATOM 0 HG22 THR A 19 -2.593 13.693 -4.793 1.00 52.05 H new ATOM 0 HG23 THR A 19 -1.296 14.853 -4.421 1.00 52.05 H new ATOM 292 N TRP A 20 -1.909 10.480 -4.283 1.00 63.13 N ATOM 293 CA TRP A 20 -3.101 9.737 -3.861 1.00 23.13 C ATOM 294 C TRP A 20 -2.977 9.237 -2.409 1.00 14.25 C ATOM 295 O TRP A 20 -3.941 9.273 -1.641 1.00 32.25 O ATOM 296 CB TRP A 20 -3.339 8.560 -4.817 1.00 12.14 C ATOM 297 CG TRP A 20 -4.561 7.752 -4.491 1.00 34.21 C ATOM 298 CD1 TRP A 20 -5.839 8.214 -4.372 1.00 11.54 C ATOM 299 CD2 TRP A 20 -4.621 6.340 -4.260 1.00 61.33 C ATOM 300 NE1 TRP A 20 -6.689 7.178 -4.077 1.00 14.55 N ATOM 301 CE2 TRP A 20 -5.965 6.019 -3.997 1.00 61.54 C ATOM 302 CE3 TRP A 20 -3.668 5.319 -4.242 1.00 35.13 C ATOM 303 CZ2 TRP A 20 -6.381 4.721 -3.725 1.00 61.11 C ATOM 304 CZ3 TRP A 20 -4.083 4.029 -3.973 1.00 73.54 C ATOM 305 CH2 TRP A 20 -5.428 3.740 -3.717 1.00 4.41 C ATOM 0 H TRP A 20 -1.401 10.048 -5.054 1.00 63.13 H new ATOM 0 HA TRP A 20 -3.955 10.413 -3.898 1.00 23.13 H new ATOM 0 HB2 TRP A 20 -3.428 8.942 -5.834 1.00 12.14 H new ATOM 0 HB3 TRP A 20 -2.467 7.906 -4.798 1.00 12.14 H new ATOM 0 HD1 TRP A 20 -6.138 9.245 -4.492 1.00 11.54 H new ATOM 0 HE1 TRP A 20 -7.697 7.258 -3.940 1.00 14.55 H new ATOM 0 HE3 TRP A 20 -2.627 5.534 -4.435 1.00 35.13 H new ATOM 0 HZ2 TRP A 20 -7.418 4.495 -3.527 1.00 61.11 H new ATOM 0 HZ3 TRP A 20 -3.357 3.230 -3.960 1.00 73.54 H new ATOM 0 HH2 TRP A 20 -5.720 2.721 -3.509 1.00 4.41 H new ATOM 316 N LEU A 21 -1.788 8.781 -2.032 1.00 70.34 N ATOM 317 CA LEU A 21 -1.539 8.322 -0.661 1.00 65.51 C ATOM 318 C LEU A 21 -1.504 9.501 0.329 1.00 3.32 C ATOM 319 O LEU A 21 -1.994 9.399 1.459 1.00 41.31 O ATOM 320 CB LEU A 21 -0.224 7.534 -0.592 1.00 4.54 C ATOM 321 CG LEU A 21 -0.162 6.273 -1.477 1.00 63.24 C ATOM 322 CD1 LEU A 21 1.170 5.552 -1.303 1.00 65.13 C ATOM 323 CD2 LEU A 21 -1.327 5.335 -1.165 1.00 32.32 C ATOM 0 H LEU A 21 -0.980 8.717 -2.651 1.00 70.34 H new ATOM 0 HA LEU A 21 -2.362 7.667 -0.375 1.00 65.51 H new ATOM 0 HB2 LEU A 21 0.593 8.197 -0.876 1.00 4.54 H new ATOM 0 HB3 LEU A 21 -0.050 7.240 0.443 1.00 4.54 H new ATOM 0 HG LEU A 21 -0.245 6.587 -2.518 1.00 63.24 H new ATOM 0 HD11 LEU A 21 1.190 4.666 -1.937 1.00 65.13 H new ATOM 0 HD12 LEU A 21 1.984 6.219 -1.586 1.00 65.13 H new ATOM 0 HD13 LEU A 21 1.290 5.255 -0.261 1.00 65.13 H new ATOM 0 HD21 LEU A 21 -1.263 4.452 -1.801 1.00 32.32 H new ATOM 0 HD22 LEU A 21 -1.281 5.033 -0.119 1.00 32.32 H new ATOM 0 HD23 LEU A 21 -2.269 5.850 -1.353 1.00 32.32 H new ATOM 335 N ILE A 22 -0.936 10.624 -0.104 1.00 72.30 N ATOM 336 CA ILE A 22 -0.847 11.822 0.739 1.00 23.13 C ATOM 337 C ILE A 22 -2.228 12.475 0.955 1.00 12.22 C ATOM 338 O ILE A 22 -2.552 12.899 2.065 1.00 73.44 O ATOM 339 CB ILE A 22 0.132 12.862 0.131 1.00 10.15 C ATOM 340 CG1 ILE A 22 1.541 12.255 0.007 1.00 4.24 C ATOM 341 CG2 ILE A 22 0.167 14.138 0.974 1.00 54.20 C ATOM 342 CD1 ILE A 22 2.548 13.166 -0.668 1.00 12.20 C ATOM 0 H ILE A 22 -0.529 10.733 -1.033 1.00 72.30 H new ATOM 0 HA ILE A 22 -0.466 11.497 1.707 1.00 23.13 H new ATOM 0 HB ILE A 22 -0.223 13.128 -0.865 1.00 10.15 H new ATOM 0 HG12 ILE A 22 1.905 12.002 1.003 1.00 4.24 H new ATOM 0 HG13 ILE A 22 1.476 11.323 -0.555 1.00 4.24 H new ATOM 0 HG21 ILE A 22 0.860 14.851 0.527 1.00 54.20 H new ATOM 0 HG22 ILE A 22 -0.830 14.577 1.012 1.00 54.20 H new ATOM 0 HG23 ILE A 22 0.496 13.897 1.985 1.00 54.20 H new ATOM 0 HD11 ILE A 22 3.515 12.666 -0.717 1.00 12.20 H new ATOM 0 HD12 ILE A 22 2.209 13.399 -1.677 1.00 12.20 H new ATOM 0 HD13 ILE A 22 2.645 14.089 -0.096 1.00 12.20 H new ATOM 354 N THR A 23 -3.048 12.540 -0.100 1.00 21.43 N ATOM 355 CA THR A 23 -4.393 13.143 0.006 1.00 24.20 C ATOM 356 C THR A 23 -5.307 12.325 0.932 1.00 61.15 C ATOM 357 O THR A 23 -6.217 12.864 1.565 1.00 61.02 O ATOM 358 CB THR A 23 -5.082 13.303 -1.379 1.00 55.01 C ATOM 359 OG1 THR A 23 -6.328 14.004 -1.241 1.00 31.22 O ATOM 360 CG2 THR A 23 -5.344 11.956 -2.040 1.00 54.22 C ATOM 0 H THR A 23 -2.813 12.189 -1.028 1.00 21.43 H new ATOM 0 HA THR A 23 -4.242 14.135 0.432 1.00 24.20 H new ATOM 0 HB THR A 23 -4.401 13.873 -2.010 1.00 55.01 H new ATOM 0 HG1 THR A 23 -6.749 14.099 -2.121 1.00 31.22 H new ATOM 0 HG21 THR A 23 -5.826 12.112 -3.005 1.00 54.22 H new ATOM 0 HG22 THR A 23 -4.399 11.433 -2.187 1.00 54.22 H new ATOM 0 HG23 THR A 23 -5.995 11.358 -1.402 1.00 54.22 H new ATOM 368 N LEU A 24 -5.055 11.016 1.011 1.00 12.01 N ATOM 369 CA LEU A 24 -5.793 10.136 1.928 1.00 22.32 C ATOM 370 C LEU A 24 -5.171 10.139 3.337 1.00 14.14 C ATOM 371 O LEU A 24 -5.655 9.457 4.242 1.00 2.33 O ATOM 372 CB LEU A 24 -5.836 8.705 1.366 1.00 63.01 C ATOM 373 CG LEU A 24 -6.638 8.536 0.060 1.00 74.30 C ATOM 374 CD1 LEU A 24 -6.545 7.104 -0.459 1.00 35.15 C ATOM 375 CD2 LEU A 24 -8.098 8.936 0.271 1.00 33.12 C ATOM 0 H LEU A 24 -4.347 10.540 0.453 1.00 12.01 H new ATOM 0 HA LEU A 24 -6.810 10.518 2.014 1.00 22.32 H new ATOM 0 HB2 LEU A 24 -4.814 8.369 1.192 1.00 63.01 H new ATOM 0 HB3 LEU A 24 -6.263 8.047 2.123 1.00 63.01 H new ATOM 0 HG LEU A 24 -6.203 9.196 -0.690 1.00 74.30 H new ATOM 0 HD11 LEU A 24 -7.120 7.013 -1.381 1.00 35.15 H new ATOM 0 HD12 LEU A 24 -5.502 6.855 -0.655 1.00 35.15 H new ATOM 0 HD13 LEU A 24 -6.947 6.419 0.288 1.00 35.15 H new ATOM 0 HD21 LEU A 24 -8.648 8.810 -0.662 1.00 33.12 H new ATOM 0 HD22 LEU A 24 -8.541 8.305 1.041 1.00 33.12 H new ATOM 0 HD23 LEU A 24 -8.148 9.979 0.584 1.00 33.12 H new ATOM 387 N GLY A 25 -4.095 10.908 3.511 1.00 21.40 N ATOM 388 CA GLY A 25 -3.455 11.044 4.819 1.00 13.35 C ATOM 389 C GLY A 25 -2.764 9.773 5.311 1.00 14.02 C ATOM 390 O GLY A 25 -2.460 9.646 6.497 1.00 75.04 O ATOM 0 H GLY A 25 -3.650 11.444 2.766 1.00 21.40 H new ATOM 0 HA2 GLY A 25 -2.721 11.848 4.770 1.00 13.35 H new ATOM 0 HA3 GLY A 25 -4.207 11.342 5.550 1.00 13.35 H new ATOM 394 N VAL A 26 -2.499 8.833 4.403 1.00 70.12 N ATOM 395 CA VAL A 26 -1.858 7.562 4.772 1.00 61.52 C ATOM 396 C VAL A 26 -0.346 7.591 4.507 1.00 63.12 C ATOM 397 O VAL A 26 0.382 6.677 4.891 1.00 55.34 O ATOM 398 CB VAL A 26 -2.499 6.368 4.022 1.00 44.23 C ATOM 399 CG1 VAL A 26 -3.997 6.313 4.306 1.00 24.13 C ATOM 400 CG2 VAL A 26 -2.232 6.446 2.519 1.00 75.01 C ATOM 0 H VAL A 26 -2.716 8.923 3.410 1.00 70.12 H new ATOM 0 HA VAL A 26 -2.017 7.430 5.842 1.00 61.52 H new ATOM 0 HB VAL A 26 -2.039 5.450 4.388 1.00 44.23 H new ATOM 0 HG11 VAL A 26 -4.438 5.470 3.774 1.00 24.13 H new ATOM 0 HG12 VAL A 26 -4.160 6.191 5.377 1.00 24.13 H new ATOM 0 HG13 VAL A 26 -4.465 7.238 3.971 1.00 24.13 H new ATOM 0 HG21 VAL A 26 -2.695 5.593 2.022 1.00 75.01 H new ATOM 0 HG22 VAL A 26 -2.653 7.370 2.122 1.00 75.01 H new ATOM 0 HG23 VAL A 26 -1.157 6.430 2.339 1.00 75.01 H new ATOM 410 N LEU A 27 0.115 8.649 3.853 1.00 2.11 N ATOM 411 CA LEU A 27 1.541 8.842 3.580 1.00 64.10 C ATOM 412 C LEU A 27 1.935 10.308 3.805 1.00 34.54 C ATOM 413 O LEU A 27 1.204 11.222 3.418 1.00 73.43 O ATOM 414 CB LEU A 27 1.867 8.421 2.140 1.00 22.22 C ATOM 415 CG LEU A 27 3.350 8.517 1.733 1.00 42.30 C ATOM 416 CD1 LEU A 27 4.210 7.589 2.590 1.00 14.54 C ATOM 417 CD2 LEU A 27 3.523 8.199 0.249 1.00 52.45 C ATOM 0 H LEU A 27 -0.481 9.396 3.497 1.00 2.11 H new ATOM 0 HA LEU A 27 2.114 8.219 4.267 1.00 64.10 H new ATOM 0 HB2 LEU A 27 1.537 7.392 1.999 1.00 22.22 H new ATOM 0 HB3 LEU A 27 1.282 9.040 1.459 1.00 22.22 H new ATOM 0 HG LEU A 27 3.684 9.540 1.904 1.00 42.30 H new ATOM 0 HD11 LEU A 27 5.253 7.674 2.284 1.00 14.54 H new ATOM 0 HD12 LEU A 27 4.115 7.870 3.639 1.00 14.54 H new ATOM 0 HD13 LEU A 27 3.876 6.560 2.459 1.00 14.54 H new ATOM 0 HD21 LEU A 27 4.577 8.272 -0.018 1.00 52.45 H new ATOM 0 HD22 LEU A 27 3.168 7.188 0.050 1.00 52.45 H new ATOM 0 HD23 LEU A 27 2.948 8.909 -0.345 1.00 52.45 H new ATOM 429 N GLU A 28 3.084 10.529 4.440 1.00 14.51 N ATOM 430 CA GLU A 28 3.560 11.888 4.715 1.00 32.21 C ATOM 431 C GLU A 28 4.033 12.595 3.436 1.00 62.35 C ATOM 432 O GLU A 28 4.417 11.954 2.456 1.00 4.11 O ATOM 433 CB GLU A 28 4.696 11.859 5.749 1.00 34.44 C ATOM 434 CG GLU A 28 5.927 11.078 5.296 1.00 0.51 C ATOM 435 CD GLU A 28 7.056 11.126 6.316 1.00 63.51 C ATOM 436 OE1 GLU A 28 7.109 10.247 7.200 1.00 44.20 O ATOM 437 OE2 GLU A 28 7.886 12.060 6.248 1.00 44.14 O ATOM 0 H GLU A 28 3.702 9.790 4.774 1.00 14.51 H new ATOM 0 HA GLU A 28 2.720 12.453 5.119 1.00 32.21 H new ATOM 0 HB2 GLU A 28 4.992 12.883 5.978 1.00 34.44 H new ATOM 0 HB3 GLU A 28 4.321 11.421 6.674 1.00 34.44 H new ATOM 0 HG2 GLU A 28 5.648 10.040 5.116 1.00 0.51 H new ATOM 0 HG3 GLU A 28 6.281 11.482 4.348 1.00 0.51 H new ATOM 444 N SER A 29 4.005 13.926 3.457 1.00 51.43 N ATOM 445 CA SER A 29 4.441 14.735 2.312 1.00 22.23 C ATOM 446 C SER A 29 5.966 14.923 2.313 1.00 3.11 C ATOM 447 O SER A 29 6.601 14.921 3.372 1.00 5.43 O ATOM 448 CB SER A 29 3.750 16.107 2.337 1.00 5.22 C ATOM 449 OG SER A 29 4.057 16.822 3.527 1.00 52.44 O ATOM 0 H SER A 29 3.684 14.472 4.256 1.00 51.43 H new ATOM 0 HA SER A 29 4.160 14.205 1.402 1.00 22.23 H new ATOM 0 HB2 SER A 29 4.063 16.689 1.470 1.00 5.22 H new ATOM 0 HB3 SER A 29 2.671 15.974 2.259 1.00 5.22 H new ATOM 0 HG SER A 29 3.604 17.691 3.512 1.00 52.44 H new ATOM 455 N PRO A 30 6.582 15.081 1.126 1.00 63.33 N ATOM 456 CA PRO A 30 8.036 15.291 1.013 1.00 52.22 C ATOM 457 C PRO A 30 8.481 16.691 1.473 1.00 74.10 C ATOM 458 O PRO A 30 7.781 17.684 1.257 1.00 20.40 O ATOM 459 CB PRO A 30 8.298 15.111 -0.489 1.00 62.22 C ATOM 460 CG PRO A 30 7.013 15.498 -1.142 1.00 25.34 C ATOM 461 CD PRO A 30 5.923 15.058 -0.198 1.00 52.40 C ATOM 0 HA PRO A 30 8.593 14.604 1.650 1.00 52.22 H new ATOM 0 HB2 PRO A 30 9.120 15.742 -0.827 1.00 62.22 H new ATOM 0 HB3 PRO A 30 8.568 14.082 -0.724 1.00 62.22 H new ATOM 0 HG2 PRO A 30 6.970 16.573 -1.314 1.00 25.34 H new ATOM 0 HG3 PRO A 30 6.907 15.015 -2.113 1.00 25.34 H new ATOM 0 HD2 PRO A 30 5.067 15.732 -0.232 1.00 52.40 H new ATOM 0 HD3 PRO A 30 5.555 14.062 -0.446 1.00 52.40 H new ATOM 469 N LYS A 31 9.646 16.765 2.114 1.00 72.34 N ATOM 470 CA LYS A 31 10.219 18.053 2.525 1.00 33.32 C ATOM 471 C LYS A 31 10.921 18.752 1.346 1.00 33.52 C ATOM 472 O LYS A 31 11.158 19.961 1.378 1.00 4.01 O ATOM 473 CB LYS A 31 11.197 17.849 3.690 1.00 31.53 C ATOM 474 CG LYS A 31 10.533 17.345 4.970 1.00 71.30 C ATOM 475 CD LYS A 31 9.558 18.372 5.550 1.00 31.44 C ATOM 476 CE LYS A 31 8.838 17.840 6.785 1.00 52.42 C ATOM 477 NZ LYS A 31 9.787 17.396 7.841 1.00 23.40 N ATOM 0 H LYS A 31 10.213 15.954 2.361 1.00 72.34 H new ATOM 0 HA LYS A 31 9.405 18.697 2.857 1.00 33.32 H new ATOM 0 HB2 LYS A 31 11.966 17.139 3.387 1.00 31.53 H new ATOM 0 HB3 LYS A 31 11.700 18.793 3.900 1.00 31.53 H new ATOM 0 HG2 LYS A 31 10.001 16.417 4.762 1.00 71.30 H new ATOM 0 HG3 LYS A 31 11.299 17.114 5.710 1.00 71.30 H new ATOM 0 HD2 LYS A 31 10.101 19.281 5.810 1.00 31.44 H new ATOM 0 HD3 LYS A 31 8.824 18.644 4.791 1.00 31.44 H new ATOM 0 HE2 LYS A 31 8.187 18.617 7.187 1.00 52.42 H new ATOM 0 HE3 LYS A 31 8.199 17.005 6.499 1.00 52.42 H new ATOM 0 HZ1 LYS A 31 9.264 17.203 8.719 1.00 23.40 H new ATOM 0 HZ2 LYS A 31 10.273 16.531 7.530 1.00 23.40 H new ATOM 0 HZ3 LYS A 31 10.489 18.144 8.014 1.00 23.40 H new ATOM 491 N LYS A 32 11.252 17.977 0.312 1.00 3.30 N ATOM 492 CA LYS A 32 11.862 18.514 -0.911 1.00 74.14 C ATOM 493 C LYS A 32 11.678 17.549 -2.100 1.00 34.20 C ATOM 494 O LYS A 32 10.915 16.588 -2.012 1.00 43.04 O ATOM 495 CB LYS A 32 13.352 18.840 -0.686 1.00 45.54 C ATOM 496 CG LYS A 32 14.166 17.718 -0.051 1.00 41.45 C ATOM 497 CD LYS A 32 15.644 18.096 0.042 1.00 11.10 C ATOM 498 CE LYS A 32 16.452 17.081 0.843 1.00 73.03 C ATOM 499 NZ LYS A 32 16.110 17.109 2.290 1.00 62.22 N ATOM 0 H LYS A 32 11.107 16.967 0.295 1.00 3.30 H new ATOM 0 HA LYS A 32 11.348 19.443 -1.159 1.00 74.14 H new ATOM 0 HB2 LYS A 32 13.801 19.097 -1.645 1.00 45.54 H new ATOM 0 HB3 LYS A 32 13.424 19.724 -0.053 1.00 45.54 H new ATOM 0 HG2 LYS A 32 13.779 17.502 0.945 1.00 41.45 H new ATOM 0 HG3 LYS A 32 14.057 16.807 -0.639 1.00 41.45 H new ATOM 0 HD2 LYS A 32 16.060 18.177 -0.962 1.00 11.10 H new ATOM 0 HD3 LYS A 32 15.737 19.078 0.505 1.00 11.10 H new ATOM 0 HE2 LYS A 32 16.271 16.081 0.448 1.00 73.03 H new ATOM 0 HE3 LYS A 32 17.515 17.286 0.718 1.00 73.03 H new ATOM 0 HZ1 LYS A 32 16.804 16.545 2.822 1.00 62.22 H new ATOM 0 HZ2 LYS A 32 16.127 18.091 2.632 1.00 62.22 H new ATOM 0 HZ3 LYS A 32 15.160 16.710 2.430 1.00 62.22 H new ATOM 513 N THR A 33 12.379 17.821 -3.203 1.00 74.43 N ATOM 514 CA THR A 33 12.197 17.087 -4.470 1.00 12.53 C ATOM 515 C THR A 33 12.370 15.559 -4.329 1.00 2.41 C ATOM 516 O THR A 33 13.322 15.083 -3.708 1.00 44.10 O ATOM 517 CB THR A 33 13.196 17.584 -5.547 1.00 1.02 C ATOM 518 OG1 THR A 33 13.180 19.021 -5.619 1.00 50.52 O ATOM 519 CG2 THR A 33 12.861 17.003 -6.921 1.00 13.02 C ATOM 0 H THR A 33 13.088 18.553 -3.249 1.00 74.43 H new ATOM 0 HA THR A 33 11.168 17.288 -4.769 1.00 12.53 H new ATOM 0 HB THR A 33 14.191 17.245 -5.258 1.00 1.02 H new ATOM 0 HG1 THR A 33 13.816 19.321 -6.301 1.00 50.52 H new ATOM 0 HG21 THR A 33 13.578 17.369 -7.656 1.00 13.02 H new ATOM 0 HG22 THR A 33 12.909 15.915 -6.878 1.00 13.02 H new ATOM 0 HG23 THR A 33 11.856 17.310 -7.211 1.00 13.02 H new ATOM 527 N ILE A 34 11.444 14.800 -4.922 1.00 70.55 N ATOM 528 CA ILE A 34 11.562 13.338 -5.005 1.00 60.51 C ATOM 529 C ILE A 34 11.992 12.908 -6.420 1.00 74.03 C ATOM 530 O ILE A 34 11.240 13.068 -7.387 1.00 63.30 O ATOM 531 CB ILE A 34 10.227 12.627 -4.652 1.00 63.24 C ATOM 532 CG1 ILE A 34 9.777 12.991 -3.225 1.00 62.44 C ATOM 533 CG2 ILE A 34 10.364 11.109 -4.804 1.00 32.12 C ATOM 534 CD1 ILE A 34 8.472 12.336 -2.809 1.00 3.31 C ATOM 0 H ILE A 34 10.599 15.175 -5.354 1.00 70.55 H new ATOM 0 HA ILE A 34 12.318 13.042 -4.278 1.00 60.51 H new ATOM 0 HB ILE A 34 9.464 12.972 -5.349 1.00 63.24 H new ATOM 0 HG12 ILE A 34 10.558 12.701 -2.522 1.00 62.44 H new ATOM 0 HG13 ILE A 34 9.669 14.073 -3.153 1.00 62.44 H new ATOM 0 HG21 ILE A 34 9.417 10.631 -4.552 1.00 32.12 H new ATOM 0 HG22 ILE A 34 10.629 10.869 -5.834 1.00 32.12 H new ATOM 0 HG23 ILE A 34 11.144 10.745 -4.135 1.00 32.12 H new ATOM 0 HD11 ILE A 34 8.220 12.640 -1.793 1.00 3.31 H new ATOM 0 HD12 ILE A 34 7.677 12.645 -3.488 1.00 3.31 H new ATOM 0 HD13 ILE A 34 8.580 11.252 -2.847 1.00 3.31 H new ATOM 546 N SER A 35 13.200 12.363 -6.538 1.00 74.40 N ATOM 547 CA SER A 35 13.721 11.916 -7.839 1.00 55.51 C ATOM 548 C SER A 35 13.238 10.499 -8.176 1.00 51.33 C ATOM 549 O SER A 35 13.027 10.165 -9.342 1.00 22.45 O ATOM 550 CB SER A 35 15.253 11.953 -7.851 1.00 43.54 C ATOM 551 OG SER A 35 15.764 11.565 -9.118 1.00 11.13 O ATOM 0 H SER A 35 13.838 12.218 -5.756 1.00 74.40 H new ATOM 0 HA SER A 35 13.340 12.602 -8.596 1.00 55.51 H new ATOM 0 HB2 SER A 35 15.597 12.958 -7.609 1.00 43.54 H new ATOM 0 HB3 SER A 35 15.642 11.288 -7.080 1.00 43.54 H new ATOM 0 HG SER A 35 16.743 11.598 -9.100 1.00 11.13 H new ATOM 557 N ASP A 36 13.067 9.667 -7.150 1.00 45.41 N ATOM 558 CA ASP A 36 12.600 8.285 -7.334 1.00 2.52 C ATOM 559 C ASP A 36 11.272 8.024 -6.589 1.00 35.54 C ATOM 560 O ASP A 36 11.262 7.635 -5.421 1.00 44.44 O ATOM 561 CB ASP A 36 13.691 7.293 -6.889 1.00 72.04 C ATOM 562 CG ASP A 36 14.303 7.649 -5.542 1.00 34.45 C ATOM 563 OD1 ASP A 36 15.120 8.595 -5.490 1.00 11.34 O ATOM 564 OD2 ASP A 36 13.983 6.989 -4.533 1.00 60.21 O ATOM 0 H ASP A 36 13.244 9.922 -6.179 1.00 45.41 H new ATOM 0 HA ASP A 36 12.403 8.135 -8.395 1.00 2.52 H new ATOM 0 HB2 ASP A 36 13.264 6.292 -6.835 1.00 72.04 H new ATOM 0 HB3 ASP A 36 14.477 7.264 -7.643 1.00 72.04 H new ATOM 569 N PRO A 37 10.119 8.248 -7.261 1.00 22.11 N ATOM 570 CA PRO A 37 8.793 8.046 -6.649 1.00 73.02 C ATOM 571 C PRO A 37 8.536 6.582 -6.257 1.00 44.21 C ATOM 572 O PRO A 37 8.033 6.300 -5.169 1.00 64.51 O ATOM 573 CB PRO A 37 7.814 8.505 -7.743 1.00 51.43 C ATOM 574 CG PRO A 37 8.587 8.409 -9.018 1.00 50.31 C ATOM 575 CD PRO A 37 10.016 8.719 -8.656 1.00 40.04 C ATOM 0 HA PRO A 37 8.690 8.600 -5.716 1.00 73.02 H new ATOM 0 HB2 PRO A 37 6.927 7.872 -7.770 1.00 51.43 H new ATOM 0 HB3 PRO A 37 7.472 9.524 -7.564 1.00 51.43 H new ATOM 0 HG2 PRO A 37 8.501 7.413 -9.453 1.00 50.31 H new ATOM 0 HG3 PRO A 37 8.209 9.114 -9.758 1.00 50.31 H new ATOM 0 HD2 PRO A 37 10.718 8.201 -9.309 1.00 40.04 H new ATOM 0 HD3 PRO A 37 10.230 9.785 -8.738 1.00 40.04 H new ATOM 583 N GLU A 38 8.894 5.652 -7.147 1.00 53.24 N ATOM 584 CA GLU A 38 8.707 4.219 -6.888 1.00 23.04 C ATOM 585 C GLU A 38 9.534 3.757 -5.675 1.00 21.53 C ATOM 586 O GLU A 38 9.055 2.989 -4.841 1.00 32.43 O ATOM 587 CB GLU A 38 9.085 3.393 -8.130 1.00 40.54 C ATOM 588 CG GLU A 38 8.306 3.772 -9.392 1.00 55.14 C ATOM 589 CD GLU A 38 8.580 2.853 -10.578 1.00 74.23 C ATOM 590 OE1 GLU A 38 9.693 2.288 -10.665 1.00 5.13 O ATOM 591 OE2 GLU A 38 7.677 2.693 -11.435 1.00 62.45 O ATOM 0 H GLU A 38 9.314 5.864 -8.052 1.00 53.24 H new ATOM 0 HA GLU A 38 7.653 4.058 -6.662 1.00 23.04 H new ATOM 0 HB2 GLU A 38 10.151 3.514 -8.323 1.00 40.54 H new ATOM 0 HB3 GLU A 38 8.918 2.337 -7.916 1.00 40.54 H new ATOM 0 HG2 GLU A 38 7.239 3.755 -9.169 1.00 55.14 H new ATOM 0 HG3 GLU A 38 8.557 4.795 -9.670 1.00 55.14 H new ATOM 598 N GLY A 39 10.777 4.234 -5.585 1.00 32.01 N ATOM 599 CA GLY A 39 11.626 3.915 -4.439 1.00 51.33 C ATOM 600 C GLY A 39 11.083 4.480 -3.127 1.00 41.24 C ATOM 601 O GLY A 39 11.017 3.778 -2.114 1.00 22.41 O ATOM 0 H GLY A 39 11.213 4.836 -6.284 1.00 32.01 H new ATOM 0 HA2 GLY A 39 11.720 2.833 -4.352 1.00 51.33 H new ATOM 0 HA3 GLY A 39 12.627 4.309 -4.613 1.00 51.33 H new ATOM 605 N PHE A 40 10.691 5.755 -3.153 1.00 62.42 N ATOM 606 CA PHE A 40 10.065 6.414 -1.995 1.00 62.34 C ATOM 607 C PHE A 40 8.848 5.618 -1.485 1.00 44.40 C ATOM 608 O PHE A 40 8.666 5.435 -0.277 1.00 40.43 O ATOM 609 CB PHE A 40 9.648 7.845 -2.379 1.00 34.44 C ATOM 610 CG PHE A 40 8.904 8.589 -1.294 1.00 73.21 C ATOM 611 CD1 PHE A 40 9.572 9.076 -0.177 1.00 63.33 C ATOM 612 CD2 PHE A 40 7.535 8.811 -1.396 1.00 75.11 C ATOM 613 CE1 PHE A 40 8.892 9.763 0.812 1.00 30.31 C ATOM 614 CE2 PHE A 40 6.853 9.496 -0.410 1.00 51.40 C ATOM 615 CZ PHE A 40 7.531 9.975 0.694 1.00 3.41 C ATOM 0 H PHE A 40 10.795 6.359 -3.968 1.00 62.42 H new ATOM 0 HA PHE A 40 10.794 6.454 -1.186 1.00 62.34 H new ATOM 0 HB2 PHE A 40 10.540 8.412 -2.645 1.00 34.44 H new ATOM 0 HB3 PHE A 40 9.020 7.801 -3.269 1.00 34.44 H new ATOM 0 HD1 PHE A 40 10.636 8.916 -0.080 1.00 63.33 H new ATOM 0 HD2 PHE A 40 6.998 8.443 -2.258 1.00 75.11 H new ATOM 0 HE1 PHE A 40 9.424 10.134 1.676 1.00 30.31 H new ATOM 0 HE2 PHE A 40 5.789 9.657 -0.502 1.00 51.40 H new ATOM 0 HZ PHE A 40 6.999 10.514 1.464 1.00 3.41 H new ATOM 625 N LEU A 41 8.018 5.150 -2.416 1.00 21.40 N ATOM 626 CA LEU A 41 6.851 4.331 -2.073 1.00 72.00 C ATOM 627 C LEU A 41 7.269 2.976 -1.477 1.00 71.02 C ATOM 628 O LEU A 41 6.830 2.611 -0.388 1.00 14.51 O ATOM 629 CB LEU A 41 5.969 4.108 -3.310 1.00 71.33 C ATOM 630 CG LEU A 41 5.339 5.377 -3.910 1.00 13.43 C ATOM 631 CD1 LEU A 41 4.543 5.040 -5.168 1.00 14.51 C ATOM 632 CD2 LEU A 41 4.455 6.078 -2.879 1.00 63.24 C ATOM 0 H LEU A 41 8.130 5.323 -3.415 1.00 21.40 H new ATOM 0 HA LEU A 41 6.280 4.872 -1.318 1.00 72.00 H new ATOM 0 HB2 LEU A 41 6.569 3.622 -4.080 1.00 71.33 H new ATOM 0 HB3 LEU A 41 5.169 3.416 -3.045 1.00 71.33 H new ATOM 0 HG LEU A 41 6.142 6.059 -4.189 1.00 13.43 H new ATOM 0 HD11 LEU A 41 4.106 5.951 -5.577 1.00 14.51 H new ATOM 0 HD12 LEU A 41 5.205 4.592 -5.908 1.00 14.51 H new ATOM 0 HD13 LEU A 41 3.749 4.337 -4.918 1.00 14.51 H new ATOM 0 HD21 LEU A 41 4.019 6.973 -3.322 1.00 63.24 H new ATOM 0 HD22 LEU A 41 3.659 5.404 -2.564 1.00 63.24 H new ATOM 0 HD23 LEU A 41 5.057 6.358 -2.014 1.00 63.24 H new ATOM 644 N GLN A 42 8.137 2.251 -2.189 1.00 62.15 N ATOM 645 CA GLN A 42 8.589 0.911 -1.771 1.00 13.41 C ATOM 646 C GLN A 42 9.057 0.901 -0.306 1.00 62.14 C ATOM 647 O GLN A 42 8.572 0.105 0.504 1.00 62.01 O ATOM 648 CB GLN A 42 9.719 0.434 -2.709 1.00 65.11 C ATOM 649 CG GLN A 42 10.135 -1.039 -2.560 1.00 10.43 C ATOM 650 CD GLN A 42 11.065 -1.306 -1.383 1.00 4.22 C ATOM 651 OE1 GLN A 42 10.513 -1.715 -0.258 1.00 70.22 O flip ATOM 652 NE2 GLN A 42 12.280 -1.173 -1.494 1.00 15.45 N flip ATOM 0 H GLN A 42 8.547 2.570 -3.067 1.00 62.15 H new ATOM 0 HA GLN A 42 7.745 0.225 -1.842 1.00 13.41 H new ATOM 0 HB2 GLN A 42 9.405 0.601 -3.739 1.00 65.11 H new ATOM 0 HB3 GLN A 42 10.596 1.059 -2.538 1.00 65.11 H new ATOM 0 HG2 GLN A 42 9.239 -1.649 -2.447 1.00 10.43 H new ATOM 0 HG3 GLN A 42 10.626 -1.361 -3.478 1.00 10.43 H new ATOM 0 HE21 GLN A 42 12.680 -0.855 -2.377 1.00 15.45 H new ATOM 0 HE22 GLN A 42 12.890 -1.381 -0.703 1.00 15.45 H new ATOM 661 N ALA A 43 9.987 1.794 0.030 1.00 2.50 N ATOM 662 CA ALA A 43 10.535 1.872 1.390 1.00 24.05 C ATOM 663 C ALA A 43 9.446 2.149 2.444 1.00 23.43 C ATOM 664 O ALA A 43 9.501 1.630 3.562 1.00 30.11 O ATOM 665 CB ALA A 43 11.617 2.945 1.453 1.00 4.24 C ATOM 0 H ALA A 43 10.379 2.476 -0.619 1.00 2.50 H new ATOM 0 HA ALA A 43 10.969 0.900 1.625 1.00 24.05 H new ATOM 0 HB1 ALA A 43 12.019 2.997 2.465 1.00 4.24 H new ATOM 0 HB2 ALA A 43 12.418 2.696 0.757 1.00 4.24 H new ATOM 0 HB3 ALA A 43 11.189 3.910 1.182 1.00 4.24 H new ATOM 671 N SER A 44 8.456 2.962 2.076 1.00 15.12 N ATOM 672 CA SER A 44 7.370 3.342 2.994 1.00 52.03 C ATOM 673 C SER A 44 6.302 2.239 3.111 1.00 65.11 C ATOM 674 O SER A 44 5.725 2.028 4.177 1.00 72.22 O ATOM 675 CB SER A 44 6.716 4.648 2.518 1.00 33.33 C ATOM 676 OG SER A 44 7.669 5.698 2.426 1.00 31.24 O ATOM 0 H SER A 44 8.379 3.374 1.146 1.00 15.12 H new ATOM 0 HA SER A 44 7.809 3.485 3.981 1.00 52.03 H new ATOM 0 HB2 SER A 44 6.250 4.491 1.545 1.00 33.33 H new ATOM 0 HB3 SER A 44 5.923 4.933 3.209 1.00 33.33 H new ATOM 0 HG SER A 44 8.074 5.695 1.533 1.00 31.24 H new ATOM 682 N LEU A 45 6.051 1.533 2.011 1.00 12.45 N ATOM 683 CA LEU A 45 5.034 0.470 1.978 1.00 72.41 C ATOM 684 C LEU A 45 5.589 -0.865 2.512 1.00 43.53 C ATOM 685 O LEU A 45 4.833 -1.794 2.790 1.00 30.42 O ATOM 686 CB LEU A 45 4.523 0.275 0.540 1.00 50.14 C ATOM 687 CG LEU A 45 3.931 1.526 -0.135 1.00 41.22 C ATOM 688 CD1 LEU A 45 3.537 1.225 -1.580 1.00 71.13 C ATOM 689 CD2 LEU A 45 2.735 2.055 0.652 1.00 61.34 C ATOM 0 H LEU A 45 6.537 1.674 1.125 1.00 12.45 H new ATOM 0 HA LEU A 45 4.213 0.779 2.624 1.00 72.41 H new ATOM 0 HB2 LEU A 45 5.348 -0.090 -0.072 1.00 50.14 H new ATOM 0 HB3 LEU A 45 3.762 -0.505 0.547 1.00 50.14 H new ATOM 0 HG LEU A 45 4.698 2.300 -0.144 1.00 41.22 H new ATOM 0 HD11 LEU A 45 3.121 2.122 -2.038 1.00 71.13 H new ATOM 0 HD12 LEU A 45 4.417 0.907 -2.139 1.00 71.13 H new ATOM 0 HD13 LEU A 45 2.791 0.430 -1.596 1.00 71.13 H new ATOM 0 HD21 LEU A 45 2.335 2.939 0.155 1.00 61.34 H new ATOM 0 HD22 LEU A 45 1.964 1.286 0.702 1.00 61.34 H new ATOM 0 HD23 LEU A 45 3.051 2.318 1.661 1.00 61.34 H new ATOM 701 N LYS A 46 6.912 -0.933 2.657 1.00 75.30 N ATOM 702 CA LYS A 46 7.621 -2.151 3.093 1.00 63.34 C ATOM 703 C LYS A 46 6.987 -2.817 4.334 1.00 12.51 C ATOM 704 O LYS A 46 6.801 -4.033 4.372 1.00 41.32 O ATOM 705 CB LYS A 46 9.085 -1.792 3.390 1.00 5.42 C ATOM 706 CG LYS A 46 9.958 -2.969 3.819 1.00 53.20 C ATOM 707 CD LYS A 46 11.371 -2.507 4.166 1.00 70.13 C ATOM 708 CE LYS A 46 12.261 -3.652 4.635 1.00 43.42 C ATOM 709 NZ LYS A 46 13.614 -3.165 5.018 1.00 44.03 N ATOM 0 H LYS A 46 7.532 -0.144 2.476 1.00 75.30 H new ATOM 0 HA LYS A 46 7.550 -2.877 2.283 1.00 63.34 H new ATOM 0 HB2 LYS A 46 9.521 -1.340 2.500 1.00 5.42 H new ATOM 0 HB3 LYS A 46 9.107 -1.036 4.175 1.00 5.42 H new ATOM 0 HG2 LYS A 46 9.511 -3.462 4.682 1.00 53.20 H new ATOM 0 HG3 LYS A 46 10.000 -3.706 3.017 1.00 53.20 H new ATOM 0 HD2 LYS A 46 11.821 -2.036 3.292 1.00 70.13 H new ATOM 0 HD3 LYS A 46 11.320 -1.748 4.946 1.00 70.13 H new ATOM 0 HE2 LYS A 46 11.797 -4.150 5.486 1.00 43.42 H new ATOM 0 HE3 LYS A 46 12.351 -4.394 3.842 1.00 43.42 H new ATOM 0 HZ1 LYS A 46 14.196 -3.968 5.333 1.00 44.03 H new ATOM 0 HZ2 LYS A 46 14.065 -2.711 4.198 1.00 44.03 H new ATOM 0 HZ3 LYS A 46 13.529 -2.475 5.792 1.00 44.03 H new ATOM 723 N ASP A 47 6.664 -2.015 5.344 1.00 13.11 N ATOM 724 CA ASP A 47 6.118 -2.534 6.605 1.00 73.13 C ATOM 725 C ASP A 47 4.607 -2.834 6.517 1.00 31.21 C ATOM 726 O ASP A 47 4.017 -3.352 7.465 1.00 12.03 O ATOM 727 CB ASP A 47 6.396 -1.537 7.733 1.00 51.32 C ATOM 728 CG ASP A 47 7.885 -1.295 7.922 1.00 44.31 C ATOM 729 OD1 ASP A 47 8.461 -0.472 7.176 1.00 51.53 O ATOM 730 OD2 ASP A 47 8.490 -1.935 8.809 1.00 42.01 O ATOM 0 H ASP A 47 6.769 -1.001 5.319 1.00 13.11 H new ATOM 0 HA ASP A 47 6.616 -3.481 6.814 1.00 73.13 H new ATOM 0 HB2 ASP A 47 5.900 -0.592 7.513 1.00 51.32 H new ATOM 0 HB3 ASP A 47 5.968 -1.912 8.663 1.00 51.32 H new ATOM 735 N GLY A 48 3.985 -2.490 5.388 1.00 71.24 N ATOM 736 CA GLY A 48 2.564 -2.778 5.181 1.00 64.30 C ATOM 737 C GLY A 48 1.612 -1.845 5.937 1.00 55.55 C ATOM 738 O GLY A 48 0.411 -1.819 5.653 1.00 40.23 O ATOM 0 H GLY A 48 4.439 -2.015 4.608 1.00 71.24 H new ATOM 0 HA2 GLY A 48 2.345 -2.715 4.115 1.00 64.30 H new ATOM 0 HA3 GLY A 48 2.366 -3.805 5.487 1.00 64.30 H new ATOM 742 N VAL A 49 2.144 -1.076 6.886 1.00 5.44 N ATOM 743 CA VAL A 49 1.329 -0.181 7.718 1.00 32.02 C ATOM 744 C VAL A 49 0.597 0.877 6.871 1.00 32.21 C ATOM 745 O VAL A 49 -0.604 1.103 7.040 1.00 64.32 O ATOM 746 CB VAL A 49 2.195 0.528 8.790 1.00 60.42 C ATOM 747 CG1 VAL A 49 1.334 1.406 9.699 1.00 73.43 C ATOM 748 CG2 VAL A 49 2.981 -0.494 9.610 1.00 72.21 C ATOM 0 H VAL A 49 3.141 -1.053 7.101 1.00 5.44 H new ATOM 0 HA VAL A 49 0.585 -0.805 8.213 1.00 32.02 H new ATOM 0 HB VAL A 49 2.906 1.174 8.276 1.00 60.42 H new ATOM 0 HG11 VAL A 49 1.967 1.891 10.442 1.00 73.43 H new ATOM 0 HG12 VAL A 49 0.830 2.165 9.101 1.00 73.43 H new ATOM 0 HG13 VAL A 49 0.591 0.789 10.204 1.00 73.43 H new ATOM 0 HG21 VAL A 49 3.583 0.024 10.357 1.00 72.21 H new ATOM 0 HG22 VAL A 49 2.288 -1.171 10.109 1.00 72.21 H new ATOM 0 HG23 VAL A 49 3.634 -1.065 8.950 1.00 72.21 H new ATOM 758 N VAL A 50 1.327 1.516 5.953 1.00 70.13 N ATOM 759 CA VAL A 50 0.736 2.508 5.043 1.00 3.52 C ATOM 760 C VAL A 50 -0.401 1.889 4.212 1.00 22.04 C ATOM 761 O VAL A 50 -1.459 2.494 4.032 1.00 10.21 O ATOM 762 CB VAL A 50 1.799 3.109 4.085 1.00 72.12 C ATOM 763 CG1 VAL A 50 1.171 4.138 3.142 1.00 51.33 C ATOM 764 CG2 VAL A 50 2.952 3.730 4.875 1.00 73.15 C ATOM 0 H VAL A 50 2.327 1.366 5.818 1.00 70.13 H new ATOM 0 HA VAL A 50 0.333 3.307 5.666 1.00 3.52 H new ATOM 0 HB VAL A 50 2.200 2.298 3.477 1.00 72.12 H new ATOM 0 HG11 VAL A 50 1.938 4.543 2.482 1.00 51.33 H new ATOM 0 HG12 VAL A 50 0.395 3.659 2.545 1.00 51.33 H new ATOM 0 HG13 VAL A 50 0.732 4.946 3.726 1.00 51.33 H new ATOM 0 HG21 VAL A 50 3.685 4.145 4.183 1.00 73.15 H new ATOM 0 HG22 VAL A 50 2.568 4.524 5.516 1.00 73.15 H new ATOM 0 HG23 VAL A 50 3.426 2.965 5.490 1.00 73.15 H new ATOM 774 N LEU A 51 -0.173 0.669 3.722 1.00 2.51 N ATOM 775 CA LEU A 51 -1.180 -0.058 2.939 1.00 34.34 C ATOM 776 C LEU A 51 -2.458 -0.308 3.757 1.00 75.33 C ATOM 777 O LEU A 51 -3.571 -0.112 3.268 1.00 52.00 O ATOM 778 CB LEU A 51 -0.607 -1.397 2.454 1.00 51.33 C ATOM 779 CG LEU A 51 0.567 -1.298 1.466 1.00 22.34 C ATOM 780 CD1 LEU A 51 1.101 -2.687 1.126 1.00 23.35 C ATOM 781 CD2 LEU A 51 0.144 -0.557 0.198 1.00 33.52 C ATOM 0 H LEU A 51 0.702 0.161 3.853 1.00 2.51 H new ATOM 0 HA LEU A 51 -1.441 0.560 2.080 1.00 34.34 H new ATOM 0 HB2 LEU A 51 -0.280 -1.968 3.323 1.00 51.33 H new ATOM 0 HB3 LEU A 51 -1.409 -1.965 1.982 1.00 51.33 H new ATOM 0 HG LEU A 51 1.367 -0.731 1.941 1.00 22.34 H new ATOM 0 HD11 LEU A 51 1.931 -2.596 0.426 1.00 23.35 H new ATOM 0 HD12 LEU A 51 1.446 -3.177 2.036 1.00 23.35 H new ATOM 0 HD13 LEU A 51 0.307 -3.281 0.673 1.00 23.35 H new ATOM 0 HD21 LEU A 51 0.989 -0.498 -0.488 1.00 33.52 H new ATOM 0 HD22 LEU A 51 -0.675 -1.094 -0.281 1.00 33.52 H new ATOM 0 HD23 LEU A 51 -0.184 0.450 0.457 1.00 33.52 H new ATOM 793 N CYS A 52 -2.288 -0.747 5.002 1.00 40.23 N ATOM 794 CA CYS A 52 -3.427 -1.015 5.890 1.00 64.14 C ATOM 795 C CYS A 52 -4.286 0.242 6.094 1.00 21.40 C ATOM 796 O CYS A 52 -5.509 0.203 5.952 1.00 32.44 O ATOM 797 CB CYS A 52 -2.937 -1.537 7.244 1.00 74.24 C ATOM 798 SG CYS A 52 -2.027 -3.097 7.146 1.00 62.51 S ATOM 0 H CYS A 52 -1.376 -0.926 5.422 1.00 40.23 H new ATOM 0 HA CYS A 52 -4.045 -1.776 5.414 1.00 64.14 H new ATOM 0 HB2 CYS A 52 -2.297 -0.783 7.702 1.00 74.24 H new ATOM 0 HB3 CYS A 52 -3.795 -1.670 7.903 1.00 74.24 H new ATOM 0 HG CYS A 52 -0.903 -2.905 6.521 1.00 62.51 H new ATOM 804 N ARG A 53 -3.636 1.360 6.416 1.00 32.34 N ATOM 805 CA ARG A 53 -4.333 2.641 6.577 1.00 24.34 C ATOM 806 C ARG A 53 -5.016 3.065 5.266 1.00 50.34 C ATOM 807 O ARG A 53 -6.135 3.585 5.269 1.00 22.23 O ATOM 808 CB ARG A 53 -3.348 3.721 7.047 1.00 23.35 C ATOM 809 CG ARG A 53 -2.776 3.458 8.436 1.00 11.23 C ATOM 810 CD ARG A 53 -1.745 4.508 8.840 1.00 4.01 C ATOM 811 NE ARG A 53 -1.292 4.329 10.220 1.00 61.41 N ATOM 812 CZ ARG A 53 -0.082 4.580 10.640 1.00 24.34 C ATOM 813 NH1 ARG A 53 0.833 4.993 9.820 1.00 75.11 N ATOM 814 NH2 ARG A 53 0.208 4.412 11.886 1.00 12.44 N ATOM 0 H ARG A 53 -2.629 1.407 6.571 1.00 32.34 H new ATOM 0 HA ARG A 53 -5.108 2.519 7.333 1.00 24.34 H new ATOM 0 HB2 ARG A 53 -2.528 3.790 6.332 1.00 23.35 H new ATOM 0 HB3 ARG A 53 -3.853 4.687 7.047 1.00 23.35 H new ATOM 0 HG2 ARG A 53 -3.586 3.447 9.165 1.00 11.23 H new ATOM 0 HG3 ARG A 53 -2.315 2.471 8.457 1.00 11.23 H new ATOM 0 HD2 ARG A 53 -0.889 4.453 8.167 1.00 4.01 H new ATOM 0 HD3 ARG A 53 -2.177 5.502 8.726 1.00 4.01 H new ATOM 0 HE ARG A 53 -1.969 3.984 10.901 1.00 61.41 H new ATOM 0 HH11 ARG A 53 0.611 5.126 8.833 1.00 75.11 H new ATOM 0 HH12 ARG A 53 1.775 5.185 10.162 1.00 75.11 H new ATOM 0 HH21 ARG A 53 -0.506 4.085 12.536 1.00 12.44 H new ATOM 0 HH22 ARG A 53 1.152 4.606 12.221 1.00 12.44 H new ATOM 828 N LEU A 54 -4.331 2.829 4.149 1.00 50.22 N ATOM 829 CA LEU A 54 -4.884 3.089 2.815 1.00 22.31 C ATOM 830 C LEU A 54 -6.230 2.368 2.622 1.00 1.52 C ATOM 831 O LEU A 54 -7.235 2.984 2.252 1.00 21.13 O ATOM 832 CB LEU A 54 -3.876 2.640 1.744 1.00 40.33 C ATOM 833 CG LEU A 54 -4.337 2.786 0.284 1.00 41.42 C ATOM 834 CD1 LEU A 54 -4.646 4.241 -0.047 1.00 74.15 C ATOM 835 CD2 LEU A 54 -3.280 2.224 -0.669 1.00 13.42 C ATOM 0 H LEU A 54 -3.382 2.454 4.139 1.00 50.22 H new ATOM 0 HA LEU A 54 -5.064 4.159 2.715 1.00 22.31 H new ATOM 0 HB2 LEU A 54 -2.958 3.213 1.874 1.00 40.33 H new ATOM 0 HB3 LEU A 54 -3.627 1.594 1.923 1.00 40.33 H new ATOM 0 HG LEU A 54 -5.255 2.212 0.157 1.00 41.42 H new ATOM 0 HD11 LEU A 54 -4.970 4.317 -1.085 1.00 74.15 H new ATOM 0 HD12 LEU A 54 -5.439 4.603 0.608 1.00 74.15 H new ATOM 0 HD13 LEU A 54 -3.751 4.845 0.099 1.00 74.15 H new ATOM 0 HD21 LEU A 54 -3.622 2.335 -1.698 1.00 13.42 H new ATOM 0 HD22 LEU A 54 -2.345 2.768 -0.537 1.00 13.42 H new ATOM 0 HD23 LEU A 54 -3.119 1.168 -0.452 1.00 13.42 H new ATOM 847 N LEU A 55 -6.248 1.067 2.899 1.00 45.41 N ATOM 848 CA LEU A 55 -7.470 0.270 2.782 1.00 54.22 C ATOM 849 C LEU A 55 -8.542 0.732 3.789 1.00 22.33 C ATOM 850 O LEU A 55 -9.734 0.659 3.510 1.00 43.42 O ATOM 851 CB LEU A 55 -7.149 -1.220 2.982 1.00 33.30 C ATOM 852 CG LEU A 55 -8.316 -2.191 2.726 1.00 41.32 C ATOM 853 CD1 LEU A 55 -8.870 -2.020 1.311 1.00 11.31 C ATOM 854 CD2 LEU A 55 -7.871 -3.634 2.957 1.00 61.15 C ATOM 0 H LEU A 55 -5.431 0.540 3.206 1.00 45.41 H new ATOM 0 HA LEU A 55 -7.874 0.415 1.780 1.00 54.22 H new ATOM 0 HB2 LEU A 55 -6.325 -1.488 2.321 1.00 33.30 H new ATOM 0 HB3 LEU A 55 -6.797 -1.364 4.004 1.00 33.30 H new ATOM 0 HG LEU A 55 -9.113 -1.956 3.431 1.00 41.32 H new ATOM 0 HD11 LEU A 55 -9.693 -2.717 1.156 1.00 11.31 H new ATOM 0 HD12 LEU A 55 -9.230 -0.999 1.182 1.00 11.31 H new ATOM 0 HD13 LEU A 55 -8.082 -2.221 0.585 1.00 11.31 H new ATOM 0 HD21 LEU A 55 -8.708 -4.307 2.772 1.00 61.15 H new ATOM 0 HD22 LEU A 55 -7.054 -3.876 2.278 1.00 61.15 H new ATOM 0 HD23 LEU A 55 -7.533 -3.750 3.987 1.00 61.15 H new ATOM 866 N GLU A 56 -8.108 1.220 4.953 1.00 22.20 N ATOM 867 CA GLU A 56 -9.032 1.758 5.967 1.00 62.44 C ATOM 868 C GLU A 56 -9.649 3.102 5.540 1.00 62.25 C ATOM 869 O GLU A 56 -10.676 3.520 6.079 1.00 30.14 O ATOM 870 CB GLU A 56 -8.312 1.909 7.316 1.00 4.22 C ATOM 871 CG GLU A 56 -8.069 0.585 8.032 1.00 22.24 C ATOM 872 CD GLU A 56 -9.364 -0.091 8.466 1.00 44.55 C ATOM 873 OE1 GLU A 56 -9.853 0.219 9.575 1.00 13.11 O ATOM 874 OE2 GLU A 56 -9.907 -0.915 7.701 1.00 62.14 O ATOM 0 H GLU A 56 -7.125 1.256 5.221 1.00 22.20 H new ATOM 0 HA GLU A 56 -9.850 1.045 6.070 1.00 62.44 H new ATOM 0 HB2 GLU A 56 -7.355 2.405 7.154 1.00 4.22 H new ATOM 0 HB3 GLU A 56 -8.902 2.559 7.962 1.00 4.22 H new ATOM 0 HG2 GLU A 56 -7.517 -0.085 7.373 1.00 22.24 H new ATOM 0 HG3 GLU A 56 -7.443 0.759 8.907 1.00 22.24 H new ATOM 881 N ARG A 57 -9.012 3.789 4.595 1.00 31.51 N ATOM 882 CA ARG A 57 -9.580 5.017 4.016 1.00 42.21 C ATOM 883 C ARG A 57 -10.655 4.696 2.968 1.00 31.30 C ATOM 884 O ARG A 57 -11.723 5.304 2.949 1.00 22.32 O ATOM 885 CB ARG A 57 -8.477 5.871 3.372 1.00 64.05 C ATOM 886 CG ARG A 57 -7.471 6.428 4.369 1.00 23.13 C ATOM 887 CD ARG A 57 -8.123 7.396 5.350 1.00 44.04 C ATOM 888 NE ARG A 57 -7.195 7.828 6.390 1.00 32.44 N ATOM 889 CZ ARG A 57 -7.458 8.761 7.265 1.00 51.04 C ATOM 890 NH1 ARG A 57 -8.571 9.415 7.219 1.00 12.35 N ATOM 891 NH2 ARG A 57 -6.598 9.034 8.188 1.00 61.12 N ATOM 0 H ARG A 57 -8.105 3.523 4.211 1.00 31.51 H new ATOM 0 HA ARG A 57 -10.043 5.577 4.829 1.00 42.21 H new ATOM 0 HB2 ARG A 57 -7.948 5.268 2.634 1.00 64.05 H new ATOM 0 HB3 ARG A 57 -8.939 6.699 2.835 1.00 64.05 H new ATOM 0 HG2 ARG A 57 -7.012 5.607 4.919 1.00 23.13 H new ATOM 0 HG3 ARG A 57 -6.671 6.938 3.832 1.00 23.13 H new ATOM 0 HD2 ARG A 57 -8.492 8.267 4.809 1.00 44.04 H new ATOM 0 HD3 ARG A 57 -8.987 6.918 5.811 1.00 44.04 H new ATOM 0 HE ARG A 57 -6.284 7.373 6.436 1.00 32.44 H new ATOM 0 HH11 ARG A 57 -9.256 9.205 6.493 1.00 12.35 H new ATOM 0 HH12 ARG A 57 -8.765 10.141 7.908 1.00 12.35 H new ATOM 0 HH21 ARG A 57 -5.717 8.522 8.232 1.00 61.12 H new ATOM 0 HH22 ARG A 57 -6.799 9.762 8.873 1.00 61.12 H new ATOM 905 N LEU A 58 -10.354 3.738 2.098 1.00 0.22 N ATOM 906 CA LEU A 58 -11.259 3.357 1.008 1.00 44.12 C ATOM 907 C LEU A 58 -12.396 2.443 1.506 1.00 15.22 C ATOM 908 O LEU A 58 -13.566 2.630 1.160 1.00 45.14 O ATOM 909 CB LEU A 58 -10.452 2.656 -0.093 1.00 41.41 C ATOM 910 CG LEU A 58 -9.232 3.448 -0.600 1.00 40.52 C ATOM 911 CD1 LEU A 58 -8.418 2.620 -1.585 1.00 74.11 C ATOM 912 CD2 LEU A 58 -9.665 4.769 -1.236 1.00 42.21 C ATOM 0 H LEU A 58 -9.485 3.205 2.123 1.00 0.22 H new ATOM 0 HA LEU A 58 -11.722 4.260 0.610 1.00 44.12 H new ATOM 0 HB2 LEU A 58 -10.111 1.692 0.283 1.00 41.41 H new ATOM 0 HB3 LEU A 58 -11.113 2.454 -0.936 1.00 41.41 H new ATOM 0 HG LEU A 58 -8.600 3.675 0.258 1.00 40.52 H new ATOM 0 HD11 LEU A 58 -7.562 3.201 -1.929 1.00 74.11 H new ATOM 0 HD12 LEU A 58 -8.067 1.712 -1.094 1.00 74.11 H new ATOM 0 HD13 LEU A 58 -9.041 2.353 -2.438 1.00 74.11 H new ATOM 0 HD21 LEU A 58 -8.786 5.310 -1.586 1.00 42.21 H new ATOM 0 HD22 LEU A 58 -10.326 4.568 -2.079 1.00 42.21 H new ATOM 0 HD23 LEU A 58 -10.192 5.373 -0.497 1.00 42.21 H new ATOM 924 N LEU A 59 -12.035 1.451 2.314 1.00 62.53 N ATOM 925 CA LEU A 59 -13.002 0.528 2.926 1.00 35.42 C ATOM 926 C LEU A 59 -12.822 0.496 4.457 1.00 3.33 C ATOM 927 O LEU A 59 -12.188 -0.413 4.997 1.00 11.43 O ATOM 928 CB LEU A 59 -12.832 -0.888 2.343 1.00 64.32 C ATOM 929 CG LEU A 59 -13.133 -1.034 0.839 1.00 1.32 C ATOM 930 CD1 LEU A 59 -12.736 -2.424 0.340 1.00 44.22 C ATOM 931 CD2 LEU A 59 -14.610 -0.766 0.555 1.00 35.34 C ATOM 0 H LEU A 59 -11.066 1.259 2.567 1.00 62.53 H new ATOM 0 HA LEU A 59 -14.008 0.883 2.701 1.00 35.42 H new ATOM 0 HB2 LEU A 59 -11.807 -1.214 2.523 1.00 64.32 H new ATOM 0 HB3 LEU A 59 -13.484 -1.567 2.892 1.00 64.32 H new ATOM 0 HG LEU A 59 -12.540 -0.294 0.302 1.00 1.32 H new ATOM 0 HD11 LEU A 59 -12.957 -2.505 -0.724 1.00 44.22 H new ATOM 0 HD12 LEU A 59 -11.669 -2.578 0.502 1.00 44.22 H new ATOM 0 HD13 LEU A 59 -13.298 -3.181 0.886 1.00 44.22 H new ATOM 0 HD21 LEU A 59 -14.801 -0.874 -0.513 1.00 35.34 H new ATOM 0 HD22 LEU A 59 -15.222 -1.479 1.107 1.00 35.34 H new ATOM 0 HD23 LEU A 59 -14.863 0.247 0.868 1.00 35.34 H new ATOM 943 N PRO A 60 -13.362 1.500 5.175 1.00 34.35 N ATOM 944 CA PRO A 60 -13.218 1.597 6.641 1.00 73.51 C ATOM 945 C PRO A 60 -13.736 0.354 7.392 1.00 4.31 C ATOM 946 O PRO A 60 -14.908 -0.019 7.266 1.00 44.23 O ATOM 947 CB PRO A 60 -14.061 2.831 7.000 1.00 43.11 C ATOM 948 CG PRO A 60 -14.122 3.633 5.743 1.00 64.20 C ATOM 949 CD PRO A 60 -14.135 2.630 4.622 1.00 72.12 C ATOM 0 HA PRO A 60 -12.170 1.671 6.932 1.00 73.51 H new ATOM 0 HB2 PRO A 60 -15.058 2.545 7.335 1.00 43.11 H new ATOM 0 HB3 PRO A 60 -13.604 3.400 7.810 1.00 43.11 H new ATOM 0 HG2 PRO A 60 -15.015 4.258 5.720 1.00 64.20 H new ATOM 0 HG3 PRO A 60 -13.264 4.300 5.662 1.00 64.20 H new ATOM 0 HD2 PRO A 60 -15.150 2.333 4.358 1.00 72.12 H new ATOM 0 HD3 PRO A 60 -13.675 3.029 3.718 1.00 72.12 H new ATOM 957 N GLY A 61 -12.860 -0.284 8.171 1.00 31.21 N ATOM 958 CA GLY A 61 -13.262 -1.439 8.973 1.00 35.44 C ATOM 959 C GLY A 61 -12.983 -2.778 8.297 1.00 23.45 C ATOM 960 O GLY A 61 -13.658 -3.773 8.573 1.00 21.25 O ATOM 0 H GLY A 61 -11.878 -0.023 8.263 1.00 31.21 H new ATOM 0 HA2 GLY A 61 -12.738 -1.408 9.928 1.00 35.44 H new ATOM 0 HA3 GLY A 61 -14.327 -1.366 9.191 1.00 35.44 H new ATOM 964 N THR A 62 -11.996 -2.804 7.409 1.00 11.41 N ATOM 965 CA THR A 62 -11.604 -4.042 6.720 1.00 43.00 C ATOM 966 C THR A 62 -10.364 -4.664 7.371 1.00 13.34 C ATOM 967 O THR A 62 -10.278 -5.882 7.529 1.00 35.13 O ATOM 968 CB THR A 62 -11.315 -3.791 5.220 1.00 72.33 C ATOM 969 OG1 THR A 62 -12.439 -3.138 4.609 1.00 44.52 O ATOM 970 CG2 THR A 62 -11.036 -5.100 4.483 1.00 3.34 C ATOM 0 H THR A 62 -11.448 -1.985 7.145 1.00 11.41 H new ATOM 0 HA THR A 62 -12.444 -4.731 6.807 1.00 43.00 H new ATOM 0 HB THR A 62 -10.431 -3.157 5.151 1.00 72.33 H new ATOM 0 HG1 THR A 62 -12.349 -2.168 4.712 1.00 44.52 H new ATOM 0 HG21 THR A 62 -10.837 -4.891 3.432 1.00 3.34 H new ATOM 0 HG22 THR A 62 -10.169 -5.589 4.926 1.00 3.34 H new ATOM 0 HG23 THR A 62 -11.903 -5.755 4.564 1.00 3.34 H new ATOM 978 N ILE A 63 -9.407 -3.822 7.746 1.00 21.14 N ATOM 979 CA ILE A 63 -8.196 -4.281 8.431 1.00 30.05 C ATOM 980 C ILE A 63 -8.526 -4.741 9.860 1.00 14.33 C ATOM 981 O ILE A 63 -8.739 -3.916 10.751 1.00 20.40 O ATOM 982 CB ILE A 63 -7.126 -3.158 8.486 1.00 12.12 C ATOM 983 CG1 ILE A 63 -6.768 -2.679 7.067 1.00 45.13 C ATOM 984 CG2 ILE A 63 -5.875 -3.625 9.234 1.00 61.23 C ATOM 985 CD1 ILE A 63 -6.154 -3.747 6.185 1.00 0.31 C ATOM 0 H ILE A 63 -9.443 -2.815 7.588 1.00 21.14 H new ATOM 0 HA ILE A 63 -7.795 -5.121 7.864 1.00 30.05 H new ATOM 0 HB ILE A 63 -7.549 -2.317 9.035 1.00 12.12 H new ATOM 0 HG12 ILE A 63 -7.670 -2.301 6.585 1.00 45.13 H new ATOM 0 HG13 ILE A 63 -6.073 -1.843 7.143 1.00 45.13 H new ATOM 0 HG21 ILE A 63 -5.142 -2.818 9.257 1.00 61.23 H new ATOM 0 HG22 ILE A 63 -6.143 -3.901 10.254 1.00 61.23 H new ATOM 0 HG23 ILE A 63 -5.448 -4.489 8.725 1.00 61.23 H new ATOM 0 HD11 ILE A 63 -5.932 -3.326 5.204 1.00 0.31 H new ATOM 0 HD12 ILE A 63 -5.233 -4.110 6.641 1.00 0.31 H new ATOM 0 HD13 ILE A 63 -6.855 -4.575 6.075 1.00 0.31 H new ATOM 997 N GLU A 64 -8.565 -6.053 10.075 1.00 45.41 N ATOM 998 CA GLU A 64 -8.963 -6.607 11.375 1.00 44.31 C ATOM 999 C GLU A 64 -7.914 -6.309 12.460 1.00 32.52 C ATOM 1000 O GLU A 64 -8.256 -6.039 13.614 1.00 53.41 O ATOM 1001 CB GLU A 64 -9.227 -8.117 11.250 1.00 71.12 C ATOM 1002 CG GLU A 64 -9.793 -8.758 12.517 1.00 20.13 C ATOM 1003 CD GLU A 64 -10.503 -10.078 12.245 1.00 2.44 C ATOM 1004 OE1 GLU A 64 -9.835 -11.133 12.213 1.00 21.20 O ATOM 1005 OE2 GLU A 64 -11.740 -10.066 12.067 1.00 70.14 O ATOM 0 H GLU A 64 -8.328 -6.753 9.372 1.00 45.41 H new ATOM 0 HA GLU A 64 -9.888 -6.121 11.685 1.00 44.31 H new ATOM 0 HB2 GLU A 64 -9.922 -8.287 10.428 1.00 71.12 H new ATOM 0 HB3 GLU A 64 -8.295 -8.618 10.988 1.00 71.12 H new ATOM 0 HG2 GLU A 64 -8.983 -8.926 13.227 1.00 20.13 H new ATOM 0 HG3 GLU A 64 -10.491 -8.066 12.988 1.00 20.13 H new ATOM 1012 N LYS A 65 -6.636 -6.353 12.081 1.00 51.40 N ATOM 1013 CA LYS A 65 -5.551 -5.926 12.975 1.00 74.42 C ATOM 1014 C LYS A 65 -4.255 -5.644 12.203 1.00 71.20 C ATOM 1015 O LYS A 65 -3.784 -6.476 11.426 1.00 24.30 O ATOM 1016 CB LYS A 65 -5.281 -6.964 14.076 1.00 35.51 C ATOM 1017 CG LYS A 65 -4.239 -6.495 15.093 1.00 64.05 C ATOM 1018 CD LYS A 65 -4.008 -7.516 16.202 1.00 32.32 C ATOM 1019 CE LYS A 65 -3.051 -6.984 17.267 1.00 41.53 C ATOM 1020 NZ LYS A 65 -2.846 -7.956 18.373 1.00 75.21 N ATOM 0 H LYS A 65 -6.324 -6.678 11.166 1.00 51.40 H new ATOM 0 HA LYS A 65 -5.885 -5.000 13.443 1.00 74.42 H new ATOM 0 HB2 LYS A 65 -6.213 -7.187 14.595 1.00 35.51 H new ATOM 0 HB3 LYS A 65 -4.942 -7.893 13.617 1.00 35.51 H new ATOM 0 HG2 LYS A 65 -3.297 -6.300 14.580 1.00 64.05 H new ATOM 0 HG3 LYS A 65 -4.563 -5.552 15.533 1.00 64.05 H new ATOM 0 HD2 LYS A 65 -4.961 -7.773 16.664 1.00 32.32 H new ATOM 0 HD3 LYS A 65 -3.603 -8.433 15.774 1.00 32.32 H new ATOM 0 HE2 LYS A 65 -2.091 -6.752 16.807 1.00 41.53 H new ATOM 0 HE3 LYS A 65 -3.444 -6.052 17.673 1.00 41.53 H new ATOM 0 HZ1 LYS A 65 -2.190 -7.553 19.072 1.00 75.21 H new ATOM 0 HZ2 LYS A 65 -3.758 -8.159 18.830 1.00 75.21 H new ATOM 0 HZ3 LYS A 65 -2.447 -8.837 17.991 1.00 75.21 H new ATOM 1034 N VAL A 66 -3.684 -4.466 12.432 1.00 42.53 N ATOM 1035 CA VAL A 66 -2.402 -4.082 11.829 1.00 74.33 C ATOM 1036 C VAL A 66 -1.340 -3.862 12.915 1.00 62.03 C ATOM 1037 O VAL A 66 -1.662 -3.472 14.038 1.00 72.31 O ATOM 1038 CB VAL A 66 -2.541 -2.786 10.986 1.00 22.15 C ATOM 1039 CG1 VAL A 66 -2.991 -1.613 11.857 1.00 74.11 C ATOM 1040 CG2 VAL A 66 -1.232 -2.455 10.268 1.00 41.03 C ATOM 0 H VAL A 66 -4.090 -3.751 13.036 1.00 42.53 H new ATOM 0 HA VAL A 66 -2.094 -4.897 11.174 1.00 74.33 H new ATOM 0 HB VAL A 66 -3.306 -2.961 10.230 1.00 22.15 H new ATOM 0 HG11 VAL A 66 -3.081 -0.717 11.243 1.00 74.11 H new ATOM 0 HG12 VAL A 66 -3.957 -1.843 12.306 1.00 74.11 H new ATOM 0 HG13 VAL A 66 -2.256 -1.441 12.644 1.00 74.11 H new ATOM 0 HG21 VAL A 66 -1.357 -1.543 9.685 1.00 41.03 H new ATOM 0 HG22 VAL A 66 -0.440 -2.310 11.003 1.00 41.03 H new ATOM 0 HG23 VAL A 66 -0.964 -3.276 9.603 1.00 41.03 H new ATOM 1050 N TYR A 67 -0.081 -4.122 12.588 1.00 35.15 N ATOM 1051 CA TYR A 67 1.022 -3.883 13.518 1.00 4.01 C ATOM 1052 C TYR A 67 1.735 -2.558 13.184 1.00 65.34 C ATOM 1053 O TYR A 67 2.521 -2.494 12.236 1.00 1.01 O ATOM 1054 CB TYR A 67 2.013 -5.053 13.470 1.00 53.05 C ATOM 1055 CG TYR A 67 1.350 -6.407 13.661 1.00 60.13 C ATOM 1056 CD1 TYR A 67 0.641 -6.698 14.822 1.00 32.11 C ATOM 1057 CD2 TYR A 67 1.422 -7.388 12.678 1.00 53.50 C ATOM 1058 CE1 TYR A 67 0.029 -7.924 14.998 1.00 53.31 C ATOM 1059 CE2 TYR A 67 0.812 -8.614 12.847 1.00 15.00 C ATOM 1060 CZ TYR A 67 0.117 -8.878 14.008 1.00 61.22 C ATOM 1061 OH TYR A 67 -0.492 -10.100 14.179 1.00 5.23 O ATOM 0 H TYR A 67 0.205 -4.499 11.685 1.00 35.15 H new ATOM 0 HA TYR A 67 0.617 -3.807 14.527 1.00 4.01 H new ATOM 0 HB2 TYR A 67 2.532 -5.042 12.512 1.00 53.05 H new ATOM 0 HB3 TYR A 67 2.768 -4.913 14.243 1.00 53.05 H new ATOM 0 HD1 TYR A 67 0.568 -5.952 15.600 1.00 32.11 H new ATOM 0 HD2 TYR A 67 1.965 -7.187 11.766 1.00 53.50 H new ATOM 0 HE1 TYR A 67 -0.516 -8.133 15.907 1.00 53.31 H new ATOM 0 HE2 TYR A 67 0.879 -9.364 12.073 1.00 15.00 H new ATOM 0 HH TYR A 67 -0.335 -10.657 13.388 1.00 5.23 H new ATOM 1071 N PRO A 68 1.465 -1.481 13.959 1.00 4.13 N ATOM 1072 CA PRO A 68 2.041 -0.149 13.698 1.00 22.42 C ATOM 1073 C PRO A 68 3.561 -0.139 13.879 1.00 13.34 C ATOM 1074 O PRO A 68 4.295 0.486 13.111 1.00 62.41 O ATOM 1075 CB PRO A 68 1.371 0.770 14.739 1.00 74.14 C ATOM 1076 CG PRO A 68 0.280 -0.038 15.372 1.00 11.32 C ATOM 1077 CD PRO A 68 0.611 -1.488 15.156 1.00 2.22 C ATOM 0 HA PRO A 68 1.863 0.169 12.671 1.00 22.42 H new ATOM 0 HB2 PRO A 68 2.092 1.102 15.486 1.00 74.14 H new ATOM 0 HB3 PRO A 68 0.967 1.665 14.265 1.00 74.14 H new ATOM 0 HG2 PRO A 68 0.206 0.184 16.437 1.00 11.32 H new ATOM 0 HG3 PRO A 68 -0.685 0.206 14.928 1.00 11.32 H new ATOM 0 HD2 PRO A 68 1.131 -1.911 16.015 1.00 2.22 H new ATOM 0 HD3 PRO A 68 -0.288 -2.084 15.002 1.00 2.22 H new ATOM 1085 N GLU A 69 4.016 -0.832 14.920 1.00 74.24 N ATOM 1086 CA GLU A 69 5.447 -1.021 15.169 1.00 12.35 C ATOM 1087 C GLU A 69 5.856 -2.488 14.958 1.00 75.50 C ATOM 1088 O GLU A 69 5.877 -3.275 15.905 1.00 12.42 O ATOM 1089 CB GLU A 69 5.813 -0.594 16.597 1.00 52.43 C ATOM 1090 CG GLU A 69 5.598 0.883 16.895 1.00 13.15 C ATOM 1091 CD GLU A 69 6.087 1.259 18.285 1.00 14.14 C ATOM 1092 OE1 GLU A 69 7.321 1.351 18.477 1.00 42.14 O ATOM 1093 OE2 GLU A 69 5.249 1.448 19.193 1.00 43.12 O ATOM 0 H GLU A 69 3.411 -1.276 15.611 1.00 74.24 H new ATOM 0 HA GLU A 69 5.987 -0.396 14.457 1.00 12.35 H new ATOM 0 HB2 GLU A 69 5.223 -1.182 17.300 1.00 52.43 H new ATOM 0 HB3 GLU A 69 6.860 -0.838 16.777 1.00 52.43 H new ATOM 0 HG2 GLU A 69 6.122 1.483 16.151 1.00 13.15 H new ATOM 0 HG3 GLU A 69 4.538 1.120 16.807 1.00 13.15 H new ATOM 1100 N PRO A 70 6.156 -2.889 13.713 1.00 32.41 N ATOM 1101 CA PRO A 70 6.606 -4.258 13.415 1.00 44.44 C ATOM 1102 C PRO A 70 8.069 -4.511 13.829 1.00 75.14 C ATOM 1103 O PRO A 70 9.000 -3.978 13.223 1.00 70.23 O ATOM 1104 CB PRO A 70 6.442 -4.349 11.892 1.00 32.30 C ATOM 1105 CG PRO A 70 6.626 -2.947 11.412 1.00 63.10 C ATOM 1106 CD PRO A 70 6.062 -2.058 12.494 1.00 71.41 C ATOM 0 HA PRO A 70 6.038 -5.007 13.967 1.00 44.44 H new ATOM 0 HB2 PRO A 70 7.181 -5.019 11.453 1.00 32.30 H new ATOM 0 HB3 PRO A 70 5.460 -4.736 11.621 1.00 32.30 H new ATOM 0 HG2 PRO A 70 7.680 -2.729 11.238 1.00 63.10 H new ATOM 0 HG3 PRO A 70 6.108 -2.787 10.467 1.00 63.10 H new ATOM 0 HD2 PRO A 70 6.634 -1.135 12.593 1.00 71.41 H new ATOM 0 HD3 PRO A 70 5.032 -1.773 12.282 1.00 71.41 H new ATOM 1114 N ARG A 71 8.265 -5.323 14.867 1.00 25.24 N ATOM 1115 CA ARG A 71 9.615 -5.688 15.316 1.00 72.51 C ATOM 1116 C ARG A 71 10.197 -6.794 14.427 1.00 43.42 C ATOM 1117 O ARG A 71 11.399 -6.828 14.161 1.00 43.41 O ATOM 1118 CB ARG A 71 9.611 -6.182 16.776 1.00 11.21 C ATOM 1119 CG ARG A 71 9.363 -5.108 17.839 1.00 15.10 C ATOM 1120 CD ARG A 71 7.956 -4.528 17.771 1.00 21.11 C ATOM 1121 NE ARG A 71 7.560 -3.902 19.032 1.00 42.41 N ATOM 1122 CZ ARG A 71 7.585 -2.619 19.269 1.00 61.13 C ATOM 1123 NH1 ARG A 71 8.056 -1.786 18.397 1.00 75.21 N ATOM 1124 NH2 ARG A 71 7.162 -2.173 20.403 1.00 5.22 N ATOM 0 H ARG A 71 7.512 -5.741 15.413 1.00 25.24 H new ATOM 0 HA ARG A 71 10.229 -4.790 15.246 1.00 72.51 H new ATOM 0 HB2 ARG A 71 8.846 -6.952 16.878 1.00 11.21 H new ATOM 0 HB3 ARG A 71 10.570 -6.657 16.982 1.00 11.21 H new ATOM 0 HG2 ARG A 71 9.528 -5.536 18.828 1.00 15.10 H new ATOM 0 HG3 ARG A 71 10.089 -4.305 17.715 1.00 15.10 H new ATOM 0 HD2 ARG A 71 7.906 -3.791 16.969 1.00 21.11 H new ATOM 0 HD3 ARG A 71 7.249 -5.319 17.521 1.00 21.11 H new ATOM 0 HE ARG A 71 7.240 -4.514 19.783 1.00 42.41 H new ATOM 0 HH11 ARG A 71 8.416 -2.129 17.506 1.00 75.21 H new ATOM 0 HH12 ARG A 71 8.067 -0.787 18.601 1.00 75.21 H new ATOM 0 HH21 ARG A 71 6.811 -2.822 21.107 1.00 5.22 H new ATOM 0 HH22 ARG A 71 7.179 -1.171 20.595 1.00 5.22 H new ATOM 1138 N SER A 72 9.330 -7.700 13.982 1.00 61.40 N ATOM 1139 CA SER A 72 9.744 -8.877 13.205 1.00 62.05 C ATOM 1140 C SER A 72 9.312 -8.793 11.734 1.00 62.21 C ATOM 1141 O SER A 72 8.306 -8.157 11.401 1.00 52.20 O ATOM 1142 CB SER A 72 9.150 -10.150 13.827 1.00 61.22 C ATOM 1143 OG SER A 72 9.390 -11.291 13.014 1.00 13.04 O ATOM 0 H SER A 72 8.325 -7.645 14.146 1.00 61.40 H new ATOM 0 HA SER A 72 10.833 -8.908 13.233 1.00 62.05 H new ATOM 0 HB2 SER A 72 9.583 -10.309 14.815 1.00 61.22 H new ATOM 0 HB3 SER A 72 8.077 -10.021 13.966 1.00 61.22 H new ATOM 0 HG SER A 72 9.001 -12.083 13.439 1.00 13.04 H new ATOM 1149 N GLU A 73 10.079 -9.451 10.862 1.00 74.13 N ATOM 1150 CA GLU A 73 9.712 -9.610 9.448 1.00 43.00 C ATOM 1151 C GLU A 73 8.289 -10.172 9.307 1.00 23.34 C ATOM 1152 O GLU A 73 7.512 -9.728 8.459 1.00 63.44 O ATOM 1153 CB GLU A 73 10.711 -10.549 8.753 1.00 63.41 C ATOM 1154 CG GLU A 73 10.305 -10.956 7.338 1.00 23.51 C ATOM 1155 CD GLU A 73 11.256 -11.968 6.716 1.00 73.33 C ATOM 1156 OE1 GLU A 73 11.479 -13.036 7.329 1.00 44.34 O ATOM 1157 OE2 GLU A 73 11.777 -11.712 5.614 1.00 22.42 O ATOM 0 H GLU A 73 10.967 -9.887 11.111 1.00 74.13 H new ATOM 0 HA GLU A 73 9.742 -8.628 8.975 1.00 43.00 H new ATOM 0 HB2 GLU A 73 11.685 -10.061 8.714 1.00 63.41 H new ATOM 0 HB3 GLU A 73 10.829 -11.448 9.358 1.00 63.41 H new ATOM 0 HG2 GLU A 73 9.300 -11.376 7.361 1.00 23.51 H new ATOM 0 HG3 GLU A 73 10.265 -10.068 6.707 1.00 23.51 H new ATOM 1164 N SER A 74 7.956 -11.140 10.164 1.00 32.31 N ATOM 1165 CA SER A 74 6.629 -11.775 10.152 1.00 52.42 C ATOM 1166 C SER A 74 5.502 -10.737 10.268 1.00 52.24 C ATOM 1167 O SER A 74 4.477 -10.839 9.588 1.00 34.15 O ATOM 1168 CB SER A 74 6.509 -12.792 11.296 1.00 45.04 C ATOM 1169 OG SER A 74 5.223 -13.399 11.316 1.00 62.00 O ATOM 0 H SER A 74 8.587 -11.504 10.878 1.00 32.31 H new ATOM 0 HA SER A 74 6.525 -12.288 9.196 1.00 52.42 H new ATOM 0 HB2 SER A 74 7.274 -13.560 11.184 1.00 45.04 H new ATOM 0 HB3 SER A 74 6.693 -12.295 12.248 1.00 45.04 H new ATOM 0 HG SER A 74 5.177 -14.043 12.054 1.00 62.00 H new ATOM 1175 N GLU A 75 5.707 -9.733 11.122 1.00 14.11 N ATOM 1176 CA GLU A 75 4.716 -8.670 11.328 1.00 2.35 C ATOM 1177 C GLU A 75 4.543 -7.814 10.064 1.00 12.30 C ATOM 1178 O GLU A 75 3.423 -7.589 9.607 1.00 61.22 O ATOM 1179 CB GLU A 75 5.123 -7.783 12.512 1.00 35.33 C ATOM 1180 CG GLU A 75 5.177 -8.525 13.842 1.00 3.41 C ATOM 1181 CD GLU A 75 5.599 -7.627 14.993 1.00 4.30 C ATOM 1182 OE1 GLU A 75 4.740 -6.909 15.541 1.00 62.43 O ATOM 1183 OE2 GLU A 75 6.794 -7.629 15.348 1.00 60.42 O ATOM 0 H GLU A 75 6.552 -9.632 11.684 1.00 14.11 H new ATOM 0 HA GLU A 75 3.760 -9.145 11.549 1.00 2.35 H new ATOM 0 HB2 GLU A 75 6.101 -7.347 12.309 1.00 35.33 H new ATOM 0 HB3 GLU A 75 4.417 -6.957 12.595 1.00 35.33 H new ATOM 0 HG2 GLU A 75 4.197 -8.950 14.057 1.00 3.41 H new ATOM 0 HG3 GLU A 75 5.875 -9.359 13.761 1.00 3.41 H new ATOM 1190 N CYS A 76 5.660 -7.348 9.501 1.00 53.53 N ATOM 1191 CA CYS A 76 5.634 -6.555 8.262 1.00 14.23 C ATOM 1192 C CYS A 76 4.878 -7.300 7.150 1.00 24.01 C ATOM 1193 O CYS A 76 3.965 -6.757 6.526 1.00 42.35 O ATOM 1194 CB CYS A 76 7.063 -6.242 7.799 1.00 53.54 C ATOM 1195 SG CYS A 76 8.073 -5.376 9.028 1.00 64.14 S ATOM 0 H CYS A 76 6.594 -7.504 9.880 1.00 53.53 H new ATOM 0 HA CYS A 76 5.113 -5.621 8.471 1.00 14.23 H new ATOM 0 HB2 CYS A 76 7.558 -7.175 7.532 1.00 53.54 H new ATOM 0 HB3 CYS A 76 7.015 -5.636 6.894 1.00 53.54 H new ATOM 0 HG CYS A 76 8.077 -4.102 8.767 1.00 64.14 H new ATOM 1201 N LEU A 77 5.255 -8.560 6.929 1.00 14.54 N ATOM 1202 CA LEU A 77 4.577 -9.414 5.947 1.00 44.30 C ATOM 1203 C LEU A 77 3.086 -9.570 6.282 1.00 75.43 C ATOM 1204 O LEU A 77 2.235 -9.557 5.393 1.00 52.53 O ATOM 1205 CB LEU A 77 5.243 -10.797 5.891 1.00 10.54 C ATOM 1206 CG LEU A 77 6.723 -10.801 5.471 1.00 64.13 C ATOM 1207 CD1 LEU A 77 7.294 -12.214 5.515 1.00 62.21 C ATOM 1208 CD2 LEU A 77 6.893 -10.193 4.079 1.00 11.42 C ATOM 0 H LEU A 77 6.027 -9.014 7.417 1.00 14.54 H new ATOM 0 HA LEU A 77 4.663 -8.933 4.973 1.00 44.30 H new ATOM 0 HB2 LEU A 77 5.161 -11.261 6.874 1.00 10.54 H new ATOM 0 HB3 LEU A 77 4.684 -11.423 5.195 1.00 10.54 H new ATOM 0 HG LEU A 77 7.278 -10.187 6.181 1.00 64.13 H new ATOM 0 HD11 LEU A 77 8.341 -12.193 5.214 1.00 62.21 H new ATOM 0 HD12 LEU A 77 7.215 -12.607 6.529 1.00 62.21 H new ATOM 0 HD13 LEU A 77 6.734 -12.854 4.834 1.00 62.21 H new ATOM 0 HD21 LEU A 77 7.947 -10.206 3.803 1.00 11.42 H new ATOM 0 HD22 LEU A 77 6.321 -10.774 3.356 1.00 11.42 H new ATOM 0 HD23 LEU A 77 6.532 -9.164 4.085 1.00 11.42 H new ATOM 1220 N SER A 78 2.778 -9.710 7.573 1.00 31.43 N ATOM 1221 CA SER A 78 1.388 -9.865 8.034 1.00 34.11 C ATOM 1222 C SER A 78 0.536 -8.636 7.686 1.00 2.00 C ATOM 1223 O SER A 78 -0.613 -8.770 7.267 1.00 62.54 O ATOM 1224 CB SER A 78 1.342 -10.108 9.549 1.00 5.34 C ATOM 1225 OG SER A 78 0.011 -10.315 10.007 1.00 15.11 O ATOM 0 H SER A 78 3.470 -9.720 8.322 1.00 31.43 H new ATOM 0 HA SER A 78 0.973 -10.730 7.517 1.00 34.11 H new ATOM 0 HB2 SER A 78 1.952 -10.977 9.797 1.00 5.34 H new ATOM 0 HB3 SER A 78 1.777 -9.254 10.068 1.00 5.34 H new ATOM 0 HG SER A 78 0.031 -10.772 10.874 1.00 15.11 H new ATOM 1231 N ASN A 79 1.106 -7.444 7.864 1.00 61.42 N ATOM 1232 CA ASN A 79 0.412 -6.193 7.527 1.00 1.52 C ATOM 1233 C ASN A 79 0.089 -6.127 6.027 1.00 42.42 C ATOM 1234 O ASN A 79 -1.032 -5.796 5.632 1.00 53.54 O ATOM 1235 CB ASN A 79 1.266 -4.984 7.927 1.00 1.50 C ATOM 1236 CG ASN A 79 1.537 -4.927 9.418 1.00 2.11 C ATOM 1237 OD1 ASN A 79 0.754 -5.410 10.225 1.00 64.15 O ATOM 1238 ND2 ASN A 79 2.646 -4.328 9.796 1.00 63.20 N ATOM 0 H ASN A 79 2.046 -7.315 8.239 1.00 61.42 H new ATOM 0 HA ASN A 79 -0.525 -6.170 8.084 1.00 1.52 H new ATOM 0 HB2 ASN A 79 2.214 -5.021 7.391 1.00 1.50 H new ATOM 0 HB3 ASN A 79 0.760 -4.069 7.618 1.00 1.50 H new ATOM 0 HD21 ASN A 79 2.874 -4.256 10.788 1.00 63.20 H new ATOM 0 HD22 ASN A 79 3.277 -3.936 9.097 1.00 63.20 H new ATOM 1245 N ILE A 80 1.078 -6.448 5.194 1.00 11.34 N ATOM 1246 CA ILE A 80 0.877 -6.493 3.741 1.00 3.10 C ATOM 1247 C ILE A 80 -0.187 -7.538 3.370 1.00 72.22 C ATOM 1248 O ILE A 80 -1.081 -7.276 2.565 1.00 75.34 O ATOM 1249 CB ILE A 80 2.197 -6.816 2.992 1.00 41.23 C ATOM 1250 CG1 ILE A 80 3.298 -5.809 3.373 1.00 63.14 C ATOM 1251 CG2 ILE A 80 1.970 -6.816 1.478 1.00 51.21 C ATOM 1252 CD1 ILE A 80 4.636 -6.081 2.711 1.00 41.54 C ATOM 0 H ILE A 80 2.024 -6.680 5.496 1.00 11.34 H new ATOM 0 HA ILE A 80 0.536 -5.504 3.434 1.00 3.10 H new ATOM 0 HB ILE A 80 2.525 -7.812 3.291 1.00 41.23 H new ATOM 0 HG12 ILE A 80 2.968 -4.806 3.104 1.00 63.14 H new ATOM 0 HG13 ILE A 80 3.430 -5.822 4.455 1.00 63.14 H new ATOM 0 HG21 ILE A 80 2.907 -7.044 0.970 1.00 51.21 H new ATOM 0 HG22 ILE A 80 1.225 -7.569 1.222 1.00 51.21 H new ATOM 0 HG23 ILE A 80 1.616 -5.834 1.163 1.00 51.21 H new ATOM 0 HD11 ILE A 80 5.359 -5.330 3.029 1.00 41.54 H new ATOM 0 HD12 ILE A 80 4.990 -7.070 3.000 1.00 41.54 H new ATOM 0 HD13 ILE A 80 4.521 -6.039 1.628 1.00 41.54 H new ATOM 1264 N ARG A 81 -0.090 -8.719 3.981 1.00 41.42 N ATOM 1265 CA ARG A 81 -1.053 -9.804 3.749 1.00 62.44 C ATOM 1266 C ARG A 81 -2.487 -9.389 4.125 1.00 51.04 C ATOM 1267 O ARG A 81 -3.431 -9.696 3.401 1.00 45.23 O ATOM 1268 CB ARG A 81 -0.643 -11.055 4.535 1.00 53.31 C ATOM 1269 CG ARG A 81 0.594 -11.759 3.981 1.00 62.22 C ATOM 1270 CD ARG A 81 1.056 -12.896 4.892 1.00 40.54 C ATOM 1271 NE ARG A 81 -0.026 -13.829 5.206 1.00 42.11 N ATOM 1272 CZ ARG A 81 0.140 -14.999 5.761 1.00 72.23 C ATOM 1273 NH1 ARG A 81 1.327 -15.456 6.023 1.00 22.30 N ATOM 1274 NH2 ARG A 81 -0.893 -15.725 6.030 1.00 52.00 N ATOM 0 H ARG A 81 0.649 -8.953 4.644 1.00 41.42 H new ATOM 0 HA ARG A 81 -1.043 -10.028 2.682 1.00 62.44 H new ATOM 0 HB2 ARG A 81 -0.455 -10.775 5.572 1.00 53.31 H new ATOM 0 HB3 ARG A 81 -1.476 -11.758 4.540 1.00 53.31 H new ATOM 0 HG2 ARG A 81 0.374 -12.154 2.989 1.00 62.22 H new ATOM 0 HG3 ARG A 81 1.402 -11.036 3.864 1.00 62.22 H new ATOM 0 HD2 ARG A 81 1.871 -13.437 4.410 1.00 40.54 H new ATOM 0 HD3 ARG A 81 1.453 -12.479 5.817 1.00 40.54 H new ATOM 0 HE ARG A 81 -0.978 -13.545 4.975 1.00 42.11 H new ATOM 0 HH11 ARG A 81 2.150 -14.898 5.795 1.00 22.30 H new ATOM 0 HH12 ARG A 81 1.436 -16.373 6.457 1.00 22.30 H new ATOM 0 HH21 ARG A 81 -1.828 -15.383 5.809 1.00 52.00 H new ATOM 0 HH22 ARG A 81 -0.774 -16.641 6.464 1.00 52.00 H new ATOM 1288 N GLU A 82 -2.645 -8.698 5.255 1.00 24.10 N ATOM 1289 CA GLU A 82 -3.959 -8.186 5.675 1.00 11.00 C ATOM 1290 C GLU A 82 -4.556 -7.263 4.596 1.00 43.55 C ATOM 1291 O GLU A 82 -5.725 -7.389 4.223 1.00 43.20 O ATOM 1292 CB GLU A 82 -3.830 -7.434 7.013 1.00 44.01 C ATOM 1293 CG GLU A 82 -5.136 -6.819 7.523 1.00 75.02 C ATOM 1294 CD GLU A 82 -6.154 -7.848 8.001 1.00 42.23 C ATOM 1295 OE1 GLU A 82 -6.721 -8.573 7.157 1.00 44.02 O ATOM 1296 OE2 GLU A 82 -6.399 -7.930 9.224 1.00 74.15 O ATOM 0 H GLU A 82 -1.884 -8.478 5.897 1.00 24.10 H new ATOM 0 HA GLU A 82 -4.633 -9.032 5.809 1.00 11.00 H new ATOM 0 HB2 GLU A 82 -3.448 -8.122 7.767 1.00 44.01 H new ATOM 0 HB3 GLU A 82 -3.090 -6.642 6.900 1.00 44.01 H new ATOM 0 HG2 GLU A 82 -4.910 -6.137 8.343 1.00 75.02 H new ATOM 0 HG3 GLU A 82 -5.582 -6.223 6.726 1.00 75.02 H new ATOM 1303 N PHE A 83 -3.735 -6.342 4.094 1.00 75.33 N ATOM 1304 CA PHE A 83 -4.129 -5.463 2.984 1.00 11.21 C ATOM 1305 C PHE A 83 -4.565 -6.277 1.749 1.00 1.03 C ATOM 1306 O PHE A 83 -5.637 -6.047 1.180 1.00 63.31 O ATOM 1307 CB PHE A 83 -2.960 -4.530 2.625 1.00 22.31 C ATOM 1308 CG PHE A 83 -3.179 -3.713 1.373 1.00 65.14 C ATOM 1309 CD1 PHE A 83 -4.050 -2.631 1.373 1.00 64.13 C ATOM 1310 CD2 PHE A 83 -2.510 -4.028 0.196 1.00 61.15 C ATOM 1311 CE1 PHE A 83 -4.249 -1.883 0.225 1.00 42.12 C ATOM 1312 CE2 PHE A 83 -2.706 -3.283 -0.952 1.00 33.41 C ATOM 1313 CZ PHE A 83 -3.575 -2.209 -0.938 1.00 44.44 C ATOM 0 H PHE A 83 -2.788 -6.182 4.437 1.00 75.33 H new ATOM 0 HA PHE A 83 -4.984 -4.867 3.304 1.00 11.21 H new ATOM 0 HB2 PHE A 83 -2.781 -3.853 3.460 1.00 22.31 H new ATOM 0 HB3 PHE A 83 -2.057 -5.129 2.501 1.00 22.31 H new ATOM 0 HD1 PHE A 83 -4.578 -2.370 2.278 1.00 64.13 H new ATOM 0 HD2 PHE A 83 -1.828 -4.865 0.178 1.00 61.15 H new ATOM 0 HE1 PHE A 83 -4.930 -1.045 0.238 1.00 42.12 H new ATOM 0 HE2 PHE A 83 -2.180 -3.540 -1.859 1.00 33.41 H new ATOM 0 HZ PHE A 83 -3.728 -1.625 -1.834 1.00 44.44 H new ATOM 1323 N LEU A 84 -3.726 -7.230 1.348 1.00 43.11 N ATOM 1324 CA LEU A 84 -4.021 -8.101 0.203 1.00 5.24 C ATOM 1325 C LEU A 84 -5.310 -8.905 0.431 1.00 22.44 C ATOM 1326 O LEU A 84 -6.071 -9.163 -0.508 1.00 54.44 O ATOM 1327 CB LEU A 84 -2.843 -9.055 -0.043 1.00 64.14 C ATOM 1328 CG LEU A 84 -1.500 -8.370 -0.357 1.00 43.24 C ATOM 1329 CD1 LEU A 84 -0.374 -9.398 -0.452 1.00 14.40 C ATOM 1330 CD2 LEU A 84 -1.599 -7.551 -1.641 1.00 42.33 C ATOM 0 H LEU A 84 -2.831 -7.422 1.799 1.00 43.11 H new ATOM 0 HA LEU A 84 -4.168 -7.471 -0.674 1.00 5.24 H new ATOM 0 HB2 LEU A 84 -2.715 -9.683 0.838 1.00 64.14 H new ATOM 0 HB3 LEU A 84 -3.098 -9.716 -0.871 1.00 64.14 H new ATOM 0 HG LEU A 84 -1.266 -7.690 0.462 1.00 43.24 H new ATOM 0 HD11 LEU A 84 0.564 -8.890 -0.675 1.00 14.40 H new ATOM 0 HD12 LEU A 84 -0.284 -9.928 0.496 1.00 14.40 H new ATOM 0 HD13 LEU A 84 -0.598 -10.111 -1.246 1.00 14.40 H new ATOM 0 HD21 LEU A 84 -0.639 -7.076 -1.844 1.00 42.33 H new ATOM 0 HD22 LEU A 84 -1.862 -8.206 -2.471 1.00 42.33 H new ATOM 0 HD23 LEU A 84 -2.366 -6.785 -1.526 1.00 42.33 H new ATOM 1342 N ARG A 85 -5.545 -9.291 1.685 1.00 3.43 N ATOM 1343 CA ARG A 85 -6.747 -10.038 2.068 1.00 33.03 C ATOM 1344 C ARG A 85 -8.006 -9.185 1.856 1.00 70.23 C ATOM 1345 O ARG A 85 -8.972 -9.628 1.234 1.00 4.31 O ATOM 1346 CB ARG A 85 -6.625 -10.492 3.540 1.00 32.30 C ATOM 1347 CG ARG A 85 -7.713 -11.461 4.023 1.00 10.31 C ATOM 1348 CD ARG A 85 -9.005 -10.750 4.435 1.00 33.25 C ATOM 1349 NE ARG A 85 -8.784 -9.791 5.516 1.00 64.54 N ATOM 1350 CZ ARG A 85 -9.720 -9.066 6.067 1.00 33.43 C ATOM 1351 NH1 ARG A 85 -10.958 -9.184 5.703 1.00 52.24 N ATOM 1352 NH2 ARG A 85 -9.406 -8.234 7.002 1.00 75.42 N ATOM 0 H ARG A 85 -4.913 -9.097 2.461 1.00 3.43 H new ATOM 0 HA ARG A 85 -6.837 -10.921 1.435 1.00 33.03 H new ATOM 0 HB2 ARG A 85 -5.653 -10.966 3.677 1.00 32.30 H new ATOM 0 HB3 ARG A 85 -6.641 -9.608 4.178 1.00 32.30 H new ATOM 0 HG2 ARG A 85 -7.934 -12.175 3.230 1.00 10.31 H new ATOM 0 HG3 ARG A 85 -7.333 -12.033 4.870 1.00 10.31 H new ATOM 0 HD2 ARG A 85 -9.425 -10.233 3.572 1.00 33.25 H new ATOM 0 HD3 ARG A 85 -9.740 -11.490 4.752 1.00 33.25 H new ATOM 0 HE ARG A 85 -7.832 -9.680 5.864 1.00 64.54 H new ATOM 0 HH11 ARG A 85 -11.214 -9.851 4.975 1.00 52.24 H new ATOM 0 HH12 ARG A 85 -11.676 -8.610 6.144 1.00 52.24 H new ATOM 0 HH21 ARG A 85 -8.435 -8.148 7.303 1.00 75.42 H new ATOM 0 HH22 ARG A 85 -10.128 -7.662 7.440 1.00 75.42 H new ATOM 1366 N GLY A 86 -7.983 -7.959 2.375 1.00 32.43 N ATOM 1367 CA GLY A 86 -9.118 -7.055 2.226 1.00 43.14 C ATOM 1368 C GLY A 86 -9.445 -6.739 0.768 1.00 64.52 C ATOM 1369 O GLY A 86 -10.569 -6.968 0.310 1.00 53.32 O ATOM 0 H GLY A 86 -7.197 -7.572 2.898 1.00 32.43 H new ATOM 0 HA2 GLY A 86 -9.993 -7.499 2.700 1.00 43.14 H new ATOM 0 HA3 GLY A 86 -8.906 -6.125 2.754 1.00 43.14 H new ATOM 1373 N CYS A 87 -8.460 -6.218 0.035 1.00 14.15 N ATOM 1374 CA CYS A 87 -8.640 -5.881 -1.386 1.00 3.30 C ATOM 1375 C CYS A 87 -9.001 -7.117 -2.223 1.00 44.42 C ATOM 1376 O CYS A 87 -9.850 -7.051 -3.114 1.00 30.02 O ATOM 1377 CB CYS A 87 -7.368 -5.232 -1.947 1.00 71.31 C ATOM 1378 SG CYS A 87 -6.893 -3.699 -1.114 1.00 43.05 S ATOM 0 H CYS A 87 -7.528 -6.019 0.398 1.00 14.15 H new ATOM 0 HA CYS A 87 -9.468 -5.175 -1.450 1.00 3.30 H new ATOM 0 HB2 CYS A 87 -6.546 -5.944 -1.871 1.00 71.31 H new ATOM 0 HB3 CYS A 87 -7.515 -5.026 -3.007 1.00 71.31 H new ATOM 0 HG CYS A 87 -5.597 -3.593 -1.105 1.00 43.05 H new ATOM 1384 N GLY A 88 -8.358 -8.245 -1.927 1.00 62.13 N ATOM 1385 CA GLY A 88 -8.622 -9.484 -2.654 1.00 23.24 C ATOM 1386 C GLY A 88 -10.009 -10.068 -2.389 1.00 61.21 C ATOM 1387 O GLY A 88 -10.629 -10.636 -3.286 1.00 14.43 O ATOM 0 H GLY A 88 -7.654 -8.326 -1.193 1.00 62.13 H new ATOM 0 HA2 GLY A 88 -8.514 -9.298 -3.723 1.00 23.24 H new ATOM 0 HA3 GLY A 88 -7.868 -10.223 -2.381 1.00 23.24 H new ATOM 1391 N ALA A 89 -10.500 -9.928 -1.159 1.00 0.42 N ATOM 1392 CA ALA A 89 -11.809 -10.478 -0.780 1.00 42.53 C ATOM 1393 C ALA A 89 -12.977 -9.587 -1.240 1.00 23.14 C ATOM 1394 O ALA A 89 -13.901 -10.051 -1.912 1.00 32.34 O ATOM 1395 CB ALA A 89 -11.868 -10.683 0.730 1.00 62.44 C ATOM 0 H ALA A 89 -10.015 -9.440 -0.406 1.00 0.42 H new ATOM 0 HA ALA A 89 -11.918 -11.436 -1.287 1.00 42.53 H new ATOM 0 HB1 ALA A 89 -12.841 -11.091 1.004 1.00 62.44 H new ATOM 0 HB2 ALA A 89 -11.085 -11.378 1.034 1.00 62.44 H new ATOM 0 HB3 ALA A 89 -11.721 -9.727 1.233 1.00 62.44 H new ATOM 1401 N SER A 90 -12.936 -8.308 -0.865 1.00 10.14 N ATOM 1402 CA SER A 90 -14.024 -7.364 -1.188 1.00 14.22 C ATOM 1403 C SER A 90 -13.978 -6.913 -2.655 1.00 22.24 C ATOM 1404 O SER A 90 -14.964 -7.024 -3.389 1.00 72.13 O ATOM 1405 CB SER A 90 -13.952 -6.130 -0.269 1.00 61.24 C ATOM 1406 OG SER A 90 -14.962 -5.183 -0.582 1.00 22.52 O ATOM 0 H SER A 90 -12.166 -7.896 -0.338 1.00 10.14 H new ATOM 0 HA SER A 90 -14.965 -7.890 -1.026 1.00 14.22 H new ATOM 0 HB2 SER A 90 -14.056 -6.443 0.770 1.00 61.24 H new ATOM 0 HB3 SER A 90 -12.972 -5.662 -0.364 1.00 61.24 H new ATOM 0 HG SER A 90 -14.888 -4.414 0.021 1.00 22.52 H new ATOM 1412 N LEU A 91 -12.819 -6.419 -3.079 1.00 41.42 N ATOM 1413 CA LEU A 91 -12.656 -5.848 -4.422 1.00 12.42 C ATOM 1414 C LEU A 91 -12.324 -6.914 -5.481 1.00 64.24 C ATOM 1415 O LEU A 91 -12.707 -6.776 -6.644 1.00 40.55 O ATOM 1416 CB LEU A 91 -11.562 -4.773 -4.385 1.00 11.41 C ATOM 1417 CG LEU A 91 -11.928 -3.507 -3.591 1.00 12.52 C ATOM 1418 CD1 LEU A 91 -10.682 -2.706 -3.229 1.00 34.55 C ATOM 1419 CD2 LEU A 91 -12.898 -2.646 -4.396 1.00 40.43 C ATOM 0 H LEU A 91 -11.971 -6.400 -2.512 1.00 41.42 H new ATOM 0 HA LEU A 91 -13.608 -5.405 -4.714 1.00 12.42 H new ATOM 0 HB2 LEU A 91 -10.660 -5.207 -3.954 1.00 11.41 H new ATOM 0 HB3 LEU A 91 -11.320 -4.486 -5.408 1.00 11.41 H new ATOM 0 HG LEU A 91 -12.411 -3.814 -2.663 1.00 12.52 H new ATOM 0 HD11 LEU A 91 -10.971 -1.817 -2.668 1.00 34.55 H new ATOM 0 HD12 LEU A 91 -10.019 -3.320 -2.619 1.00 34.55 H new ATOM 0 HD13 LEU A 91 -10.164 -2.408 -4.140 1.00 34.55 H new ATOM 0 HD21 LEU A 91 -13.151 -1.752 -3.825 1.00 40.43 H new ATOM 0 HD22 LEU A 91 -12.432 -2.356 -5.337 1.00 40.43 H new ATOM 0 HD23 LEU A 91 -13.805 -3.214 -4.601 1.00 40.43 H new ATOM 1431 N ARG A 92 -11.606 -7.970 -5.075 1.00 13.44 N ATOM 1432 CA ARG A 92 -11.217 -9.063 -5.990 1.00 54.04 C ATOM 1433 C ARG A 92 -10.301 -8.556 -7.118 1.00 22.52 C ATOM 1434 O ARG A 92 -10.210 -9.164 -8.189 1.00 35.53 O ATOM 1435 CB ARG A 92 -12.470 -9.727 -6.587 1.00 64.34 C ATOM 1436 CG ARG A 92 -13.460 -10.237 -5.542 1.00 31.34 C ATOM 1437 CD ARG A 92 -14.720 -10.805 -6.186 1.00 63.40 C ATOM 1438 NE ARG A 92 -15.389 -9.833 -7.053 1.00 35.35 N ATOM 1439 CZ ARG A 92 -16.686 -9.707 -7.159 1.00 73.12 C ATOM 1440 NH1 ARG A 92 -17.480 -10.399 -6.408 1.00 73.00 N ATOM 1441 NH2 ARG A 92 -17.183 -8.864 -8.003 1.00 52.34 N ATOM 0 H ARG A 92 -11.280 -8.095 -4.117 1.00 13.44 H new ATOM 0 HA ARG A 92 -10.660 -9.799 -5.411 1.00 54.04 H new ATOM 0 HB2 ARG A 92 -12.976 -9.009 -7.233 1.00 64.34 H new ATOM 0 HB3 ARG A 92 -12.161 -10.561 -7.218 1.00 64.34 H new ATOM 0 HG2 ARG A 92 -12.983 -11.007 -4.935 1.00 31.34 H new ATOM 0 HG3 ARG A 92 -13.731 -9.423 -4.870 1.00 31.34 H new ATOM 0 HD2 ARG A 92 -14.461 -11.689 -6.768 1.00 63.40 H new ATOM 0 HD3 ARG A 92 -15.410 -11.128 -5.406 1.00 63.40 H new ATOM 0 HE ARG A 92 -14.804 -9.212 -7.612 1.00 35.35 H new ATOM 0 HH11 ARG A 92 -17.096 -11.051 -5.724 1.00 73.00 H new ATOM 0 HH12 ARG A 92 -18.490 -10.292 -6.499 1.00 73.00 H new ATOM 0 HH21 ARG A 92 -16.564 -8.299 -8.584 1.00 52.34 H new ATOM 0 HH22 ARG A 92 -18.194 -8.764 -8.088 1.00 52.34 H new ATOM 1455 N LEU A 93 -9.605 -7.453 -6.857 1.00 44.22 N ATOM 1456 CA LEU A 93 -8.762 -6.802 -7.867 1.00 22.00 C ATOM 1457 C LEU A 93 -7.386 -7.474 -8.014 1.00 13.44 C ATOM 1458 O LEU A 93 -7.038 -8.388 -7.263 1.00 23.25 O ATOM 1459 CB LEU A 93 -8.604 -5.305 -7.535 1.00 33.15 C ATOM 1460 CG LEU A 93 -8.174 -4.956 -6.090 1.00 63.40 C ATOM 1461 CD1 LEU A 93 -6.715 -5.318 -5.821 1.00 14.44 C ATOM 1462 CD2 LEU A 93 -8.409 -3.478 -5.800 1.00 23.24 C ATOM 0 H LEU A 93 -9.606 -6.986 -5.950 1.00 44.22 H new ATOM 0 HA LEU A 93 -9.265 -6.910 -8.828 1.00 22.00 H new ATOM 0 HB2 LEU A 93 -7.871 -4.880 -8.220 1.00 33.15 H new ATOM 0 HB3 LEU A 93 -9.554 -4.810 -7.737 1.00 33.15 H new ATOM 0 HG LEU A 93 -8.792 -5.554 -5.420 1.00 63.40 H new ATOM 0 HD11 LEU A 93 -6.458 -5.055 -4.795 1.00 14.44 H new ATOM 0 HD12 LEU A 93 -6.573 -6.389 -5.968 1.00 14.44 H new ATOM 0 HD13 LEU A 93 -6.071 -4.769 -6.508 1.00 14.44 H new ATOM 0 HD21 LEU A 93 -8.100 -3.254 -4.779 1.00 23.24 H new ATOM 0 HD22 LEU A 93 -7.827 -2.874 -6.496 1.00 23.24 H new ATOM 0 HD23 LEU A 93 -9.468 -3.248 -5.917 1.00 23.24 H new ATOM 1474 N GLU A 94 -6.610 -7.002 -8.988 1.00 65.43 N ATOM 1475 CA GLU A 94 -5.250 -7.499 -9.222 1.00 65.43 C ATOM 1476 C GLU A 94 -4.319 -7.149 -8.048 1.00 33.11 C ATOM 1477 O GLU A 94 -4.107 -5.974 -7.742 1.00 72.51 O ATOM 1478 CB GLU A 94 -4.696 -6.905 -10.524 1.00 35.23 C ATOM 1479 CG GLU A 94 -5.506 -7.275 -11.765 1.00 65.23 C ATOM 1480 CD GLU A 94 -5.033 -6.551 -13.016 1.00 50.04 C ATOM 1481 OE1 GLU A 94 -3.937 -6.879 -13.519 1.00 11.43 O ATOM 1482 OE2 GLU A 94 -5.756 -5.650 -13.503 1.00 53.04 O ATOM 0 H GLU A 94 -6.901 -6.269 -9.635 1.00 65.43 H new ATOM 0 HA GLU A 94 -5.294 -8.585 -9.306 1.00 65.43 H new ATOM 0 HB2 GLU A 94 -4.665 -5.819 -10.432 1.00 35.23 H new ATOM 0 HB3 GLU A 94 -3.669 -7.243 -10.658 1.00 35.23 H new ATOM 0 HG2 GLU A 94 -5.442 -8.351 -11.927 1.00 65.23 H new ATOM 0 HG3 GLU A 94 -6.556 -7.041 -11.591 1.00 65.23 H new ATOM 1489 N THR A 95 -3.765 -8.168 -7.396 1.00 44.23 N ATOM 1490 CA THR A 95 -2.911 -7.965 -6.215 1.00 24.31 C ATOM 1491 C THR A 95 -1.469 -8.440 -6.445 1.00 1.22 C ATOM 1492 O THR A 95 -1.164 -9.119 -7.426 1.00 34.54 O ATOM 1493 CB THR A 95 -3.466 -8.711 -4.972 1.00 51.42 C ATOM 1494 OG1 THR A 95 -3.452 -10.130 -5.195 1.00 24.45 O ATOM 1495 CG2 THR A 95 -4.885 -8.264 -4.640 1.00 34.45 C ATOM 0 H THR A 95 -3.889 -9.145 -7.661 1.00 44.23 H new ATOM 0 HA THR A 95 -2.912 -6.889 -6.039 1.00 24.31 H new ATOM 0 HB THR A 95 -2.821 -8.466 -4.128 1.00 51.42 H new ATOM 0 HG1 THR A 95 -3.803 -10.589 -4.403 1.00 24.45 H new ATOM 0 HG21 THR A 95 -5.242 -8.807 -3.765 1.00 34.45 H new ATOM 0 HG22 THR A 95 -4.890 -7.194 -4.431 1.00 34.45 H new ATOM 0 HG23 THR A 95 -5.539 -8.471 -5.487 1.00 34.45 H new ATOM 1503 N PHE A 96 -0.591 -8.055 -5.524 1.00 74.43 N ATOM 1504 CA PHE A 96 0.798 -8.542 -5.479 1.00 40.20 C ATOM 1505 C PHE A 96 0.985 -9.456 -4.259 1.00 34.02 C ATOM 1506 O PHE A 96 0.040 -9.675 -3.499 1.00 44.15 O ATOM 1507 CB PHE A 96 1.768 -7.352 -5.403 1.00 63.30 C ATOM 1508 CG PHE A 96 1.556 -6.465 -4.196 1.00 40.13 C ATOM 1509 CD1 PHE A 96 0.564 -5.493 -4.196 1.00 21.03 C ATOM 1510 CD2 PHE A 96 2.347 -6.603 -3.063 1.00 45.33 C ATOM 1511 CE1 PHE A 96 0.365 -4.681 -3.095 1.00 53.33 C ATOM 1512 CE2 PHE A 96 2.152 -5.793 -1.960 1.00 61.13 C ATOM 1513 CZ PHE A 96 1.161 -4.832 -1.975 1.00 1.03 C ATOM 0 H PHE A 96 -0.817 -7.394 -4.781 1.00 74.43 H new ATOM 0 HA PHE A 96 1.010 -9.110 -6.385 1.00 40.20 H new ATOM 0 HB2 PHE A 96 2.790 -7.730 -5.389 1.00 63.30 H new ATOM 0 HB3 PHE A 96 1.662 -6.751 -6.306 1.00 63.30 H new ATOM 0 HD1 PHE A 96 -0.061 -5.370 -5.068 1.00 21.03 H new ATOM 0 HD2 PHE A 96 3.124 -7.353 -3.043 1.00 45.33 H new ATOM 0 HE1 PHE A 96 -0.411 -3.930 -3.110 1.00 53.33 H new ATOM 0 HE2 PHE A 96 2.775 -5.912 -1.086 1.00 61.13 H new ATOM 0 HZ PHE A 96 1.008 -4.199 -1.113 1.00 1.03 H new ATOM 1523 N ASP A 97 2.185 -9.998 -4.070 1.00 13.23 N ATOM 1524 CA ASP A 97 2.489 -10.781 -2.868 1.00 35.32 C ATOM 1525 C ASP A 97 3.435 -10.000 -1.937 1.00 41.31 C ATOM 1526 O ASP A 97 4.215 -9.160 -2.389 1.00 74.41 O ATOM 1527 CB ASP A 97 3.100 -12.135 -3.252 1.00 5.03 C ATOM 1528 CG ASP A 97 3.355 -13.016 -2.041 1.00 24.31 C ATOM 1529 OD1 ASP A 97 2.384 -13.578 -1.490 1.00 61.21 O ATOM 1530 OD2 ASP A 97 4.526 -13.135 -1.624 1.00 33.13 O ATOM 0 H ASP A 97 2.961 -9.912 -4.727 1.00 13.23 H new ATOM 0 HA ASP A 97 1.559 -10.964 -2.330 1.00 35.32 H new ATOM 0 HB2 ASP A 97 2.430 -12.651 -3.940 1.00 5.03 H new ATOM 0 HB3 ASP A 97 4.038 -11.971 -3.783 1.00 5.03 H new ATOM 1535 N ALA A 98 3.363 -10.289 -0.637 1.00 42.02 N ATOM 1536 CA ALA A 98 4.145 -9.563 0.372 1.00 14.20 C ATOM 1537 C ALA A 98 5.651 -9.540 0.054 1.00 34.40 C ATOM 1538 O ALA A 98 6.330 -8.538 0.289 1.00 61.22 O ATOM 1539 CB ALA A 98 3.906 -10.167 1.752 1.00 21.31 C ATOM 0 H ALA A 98 2.769 -11.024 -0.254 1.00 42.02 H new ATOM 0 HA ALA A 98 3.803 -8.528 0.359 1.00 14.20 H new ATOM 0 HB1 ALA A 98 4.490 -9.622 2.494 1.00 21.31 H new ATOM 0 HB2 ALA A 98 2.847 -10.097 2.001 1.00 21.31 H new ATOM 0 HB3 ALA A 98 4.210 -11.214 1.749 1.00 21.31 H new ATOM 1545 N ASN A 99 6.166 -10.640 -0.497 1.00 14.42 N ATOM 1546 CA ASN A 99 7.599 -10.750 -0.805 1.00 64.42 C ATOM 1547 C ASN A 99 8.038 -9.770 -1.909 1.00 51.21 C ATOM 1548 O ASN A 99 9.145 -9.227 -1.852 1.00 50.24 O ATOM 1549 CB ASN A 99 7.951 -12.188 -1.205 1.00 51.03 C ATOM 1550 CG ASN A 99 7.855 -13.149 -0.034 1.00 74.30 C ATOM 1551 OD1 ASN A 99 8.820 -13.367 0.683 1.00 11.41 O ATOM 1552 ND2 ASN A 99 6.693 -13.728 0.171 1.00 23.32 N ATOM 0 H ASN A 99 5.618 -11.466 -0.739 1.00 14.42 H new ATOM 0 HA ASN A 99 8.142 -10.483 0.101 1.00 64.42 H new ATOM 0 HB2 ASN A 99 7.280 -12.517 -1.999 1.00 51.03 H new ATOM 0 HB3 ASN A 99 8.962 -12.213 -1.611 1.00 51.03 H new ATOM 0 HD21 ASN A 99 6.578 -14.380 0.947 1.00 23.32 H new ATOM 0 HD22 ASN A 99 5.906 -13.525 -0.446 1.00 23.32 H new ATOM 1559 N ASP A 100 7.173 -9.540 -2.905 1.00 10.14 N ATOM 1560 CA ASP A 100 7.485 -8.607 -3.997 1.00 61.23 C ATOM 1561 C ASP A 100 7.840 -7.213 -3.453 1.00 13.13 C ATOM 1562 O ASP A 100 8.868 -6.630 -3.811 1.00 14.42 O ATOM 1563 CB ASP A 100 6.298 -8.486 -4.962 1.00 61.10 C ATOM 1564 CG ASP A 100 5.983 -9.786 -5.678 1.00 70.41 C ATOM 1565 OD1 ASP A 100 6.725 -10.154 -6.613 1.00 43.13 O ATOM 1566 OD2 ASP A 100 4.980 -10.441 -5.334 1.00 31.51 O ATOM 0 H ASP A 100 6.257 -9.983 -2.978 1.00 10.14 H new ATOM 0 HA ASP A 100 8.347 -9.007 -4.531 1.00 61.23 H new ATOM 0 HB2 ASP A 100 5.418 -8.160 -4.408 1.00 61.10 H new ATOM 0 HB3 ASP A 100 6.514 -7.714 -5.700 1.00 61.10 H new ATOM 1571 N LEU A 101 6.982 -6.703 -2.576 1.00 70.04 N ATOM 1572 CA LEU A 101 7.142 -5.364 -2.000 1.00 52.23 C ATOM 1573 C LEU A 101 8.211 -5.329 -0.897 1.00 14.40 C ATOM 1574 O LEU A 101 9.132 -4.511 -0.935 1.00 11.23 O ATOM 1575 CB LEU A 101 5.796 -4.894 -1.431 1.00 43.01 C ATOM 1576 CG LEU A 101 5.808 -3.532 -0.719 1.00 43.14 C ATOM 1577 CD1 LEU A 101 6.271 -2.422 -1.663 1.00 72.42 C ATOM 1578 CD2 LEU A 101 4.425 -3.224 -0.155 1.00 63.02 C ATOM 0 H LEU A 101 6.157 -7.201 -2.242 1.00 70.04 H new ATOM 0 HA LEU A 101 7.474 -4.696 -2.795 1.00 52.23 H new ATOM 0 HB2 LEU A 101 5.074 -4.850 -2.247 1.00 43.01 H new ATOM 0 HB3 LEU A 101 5.438 -5.646 -0.729 1.00 43.01 H new ATOM 0 HG LEU A 101 6.518 -3.581 0.106 1.00 43.14 H new ATOM 0 HD11 LEU A 101 6.270 -1.470 -1.133 1.00 72.42 H new ATOM 0 HD12 LEU A 101 7.279 -2.640 -2.015 1.00 72.42 H new ATOM 0 HD13 LEU A 101 5.594 -2.364 -2.516 1.00 72.42 H new ATOM 0 HD21 LEU A 101 4.444 -2.257 0.348 1.00 63.02 H new ATOM 0 HD22 LEU A 101 3.699 -3.197 -0.967 1.00 63.02 H new ATOM 0 HD23 LEU A 101 4.142 -3.998 0.558 1.00 63.02 H new ATOM 1590 N TYR A 102 8.087 -6.229 0.075 1.00 64.15 N ATOM 1591 CA TYR A 102 8.959 -6.231 1.254 1.00 32.25 C ATOM 1592 C TYR A 102 10.444 -6.390 0.885 1.00 54.53 C ATOM 1593 O TYR A 102 11.289 -5.602 1.316 1.00 55.33 O ATOM 1594 CB TYR A 102 8.542 -7.347 2.219 1.00 71.13 C ATOM 1595 CG TYR A 102 9.361 -7.376 3.496 1.00 34.21 C ATOM 1596 CD1 TYR A 102 9.204 -6.396 4.471 1.00 3.33 C ATOM 1597 CD2 TYR A 102 10.302 -8.373 3.717 1.00 43.30 C ATOM 1598 CE1 TYR A 102 9.959 -6.413 5.628 1.00 34.33 C ATOM 1599 CE2 TYR A 102 11.058 -8.398 4.872 1.00 54.24 C ATOM 1600 CZ TYR A 102 10.885 -7.415 5.822 1.00 14.13 C ATOM 1601 OH TYR A 102 11.650 -7.431 6.963 1.00 30.34 O ATOM 0 H TYR A 102 7.388 -6.972 0.072 1.00 64.15 H new ATOM 0 HA TYR A 102 8.844 -5.261 1.738 1.00 32.25 H new ATOM 0 HB2 TYR A 102 7.490 -7.223 2.474 1.00 71.13 H new ATOM 0 HB3 TYR A 102 8.636 -8.308 1.714 1.00 71.13 H new ATOM 0 HD1 TYR A 102 8.480 -5.609 4.321 1.00 3.33 H new ATOM 0 HD2 TYR A 102 10.445 -9.142 2.972 1.00 43.30 H new ATOM 0 HE1 TYR A 102 9.824 -5.646 6.376 1.00 34.33 H new ATOM 0 HE2 TYR A 102 11.781 -9.184 5.030 1.00 54.24 H new ATOM 0 HH TYR A 102 12.251 -8.205 6.943 1.00 30.34 H new ATOM 1611 N GLN A 103 10.760 -7.407 0.084 1.00 71.14 N ATOM 1612 CA GLN A 103 12.156 -7.689 -0.289 1.00 2.15 C ATOM 1613 C GLN A 103 12.654 -6.766 -1.416 1.00 24.54 C ATOM 1614 O GLN A 103 13.811 -6.854 -1.835 1.00 62.22 O ATOM 1615 CB GLN A 103 12.302 -9.159 -0.711 1.00 11.21 C ATOM 1616 CG GLN A 103 11.995 -10.161 0.402 1.00 2.21 C ATOM 1617 CD GLN A 103 12.946 -10.052 1.586 1.00 52.32 C ATOM 1618 OE1 GLN A 103 14.105 -9.675 1.440 1.00 54.13 O ATOM 1619 NE2 GLN A 103 12.468 -10.387 2.769 1.00 35.03 N ATOM 0 H GLN A 103 10.077 -8.049 -0.320 1.00 71.14 H new ATOM 0 HA GLN A 103 12.773 -7.496 0.589 1.00 2.15 H new ATOM 0 HB2 GLN A 103 11.637 -9.352 -1.553 1.00 11.21 H new ATOM 0 HB3 GLN A 103 13.320 -9.325 -1.064 1.00 11.21 H new ATOM 0 HG2 GLN A 103 10.973 -10.007 0.749 1.00 2.21 H new ATOM 0 HG3 GLN A 103 12.045 -11.171 -0.004 1.00 2.21 H new ATOM 0 HE21 GLN A 103 11.500 -10.697 2.859 1.00 35.03 H new ATOM 0 HE22 GLN A 103 13.066 -10.336 3.594 1.00 35.03 H new ATOM 1628 N GLY A 104 11.781 -5.880 -1.895 1.00 45.43 N ATOM 1629 CA GLY A 104 12.139 -4.984 -2.991 1.00 22.01 C ATOM 1630 C GLY A 104 12.394 -5.722 -4.302 1.00 14.34 C ATOM 1631 O GLY A 104 13.299 -5.371 -5.064 1.00 31.24 O ATOM 0 H GLY A 104 10.830 -5.765 -1.545 1.00 45.43 H new ATOM 0 HA2 GLY A 104 11.338 -4.259 -3.138 1.00 22.01 H new ATOM 0 HA3 GLY A 104 13.032 -4.421 -2.717 1.00 22.01 H new ATOM 1635 N GLN A 105 11.591 -6.747 -4.570 1.00 31.32 N ATOM 1636 CA GLN A 105 11.751 -7.560 -5.780 1.00 65.42 C ATOM 1637 C GLN A 105 10.991 -6.944 -6.963 1.00 72.30 C ATOM 1638 O GLN A 105 11.585 -6.322 -7.844 1.00 74.23 O ATOM 1639 CB GLN A 105 11.260 -8.997 -5.525 1.00 74.02 C ATOM 1640 CG GLN A 105 11.960 -9.706 -4.363 1.00 10.22 C ATOM 1641 CD GLN A 105 13.435 -9.999 -4.621 1.00 31.50 C ATOM 1642 OE1 GLN A 105 14.114 -9.289 -5.353 1.00 52.22 O ATOM 1643 NE2 GLN A 105 13.940 -11.060 -4.027 1.00 30.12 N ATOM 0 H GLN A 105 10.821 -7.038 -3.968 1.00 31.32 H new ATOM 0 HA GLN A 105 12.811 -7.586 -6.033 1.00 65.42 H new ATOM 0 HB2 GLN A 105 10.188 -8.972 -5.327 1.00 74.02 H new ATOM 0 HB3 GLN A 105 11.403 -9.584 -6.432 1.00 74.02 H new ATOM 0 HG2 GLN A 105 11.872 -9.090 -3.468 1.00 10.22 H new ATOM 0 HG3 GLN A 105 11.443 -10.643 -4.157 1.00 10.22 H new ATOM 0 HE21 GLN A 105 13.352 -11.634 -3.422 1.00 30.12 H new ATOM 0 HE22 GLN A 105 14.919 -11.308 -4.171 1.00 30.12 H new ATOM 1652 N ASN A 106 9.670 -7.104 -6.964 1.00 3.45 N ATOM 1653 CA ASN A 106 8.824 -6.585 -8.044 1.00 65.13 C ATOM 1654 C ASN A 106 7.898 -5.471 -7.540 1.00 53.25 C ATOM 1655 O ASN A 106 6.804 -5.744 -7.039 1.00 52.20 O ATOM 1656 CB ASN A 106 7.972 -7.708 -8.642 1.00 24.21 C ATOM 1657 CG ASN A 106 8.788 -8.885 -9.138 1.00 72.44 C ATOM 1658 OD1 ASN A 106 9.912 -8.732 -9.606 1.00 33.33 O ATOM 1659 ND2 ASN A 106 8.231 -10.073 -9.019 1.00 12.35 N ATOM 0 H ASN A 106 9.158 -7.590 -6.228 1.00 3.45 H new ATOM 0 HA ASN A 106 9.485 -6.176 -8.808 1.00 65.13 H new ATOM 0 HB2 ASN A 106 7.265 -8.057 -7.890 1.00 24.21 H new ATOM 0 HB3 ASN A 106 7.386 -7.308 -9.469 1.00 24.21 H new ATOM 0 HD21 ASN A 106 8.737 -10.906 -9.321 1.00 12.35 H new ATOM 0 HD22 ASN A 106 7.294 -10.160 -8.625 1.00 12.35 H new ATOM 1666 N PHE A 107 8.328 -4.219 -7.664 1.00 24.01 N ATOM 1667 CA PHE A 107 7.488 -3.091 -7.254 1.00 0.31 C ATOM 1668 C PHE A 107 6.405 -2.809 -8.305 1.00 1.31 C ATOM 1669 O PHE A 107 5.318 -2.338 -7.975 1.00 2.23 O ATOM 1670 CB PHE A 107 8.323 -1.825 -7.005 1.00 2.45 C ATOM 1671 CG PHE A 107 7.495 -0.670 -6.496 1.00 1.14 C ATOM 1672 CD1 PHE A 107 7.063 -0.641 -5.177 1.00 0.25 C ATOM 1673 CD2 PHE A 107 7.128 0.371 -7.339 1.00 54.13 C ATOM 1674 CE1 PHE A 107 6.285 0.401 -4.710 1.00 43.45 C ATOM 1675 CE2 PHE A 107 6.353 1.416 -6.876 1.00 20.14 C ATOM 1676 CZ PHE A 107 5.930 1.430 -5.561 1.00 40.42 C ATOM 0 H PHE A 107 9.240 -3.958 -8.039 1.00 24.01 H new ATOM 0 HA PHE A 107 7.007 -3.369 -6.316 1.00 0.31 H new ATOM 0 HB2 PHE A 107 9.108 -2.049 -6.283 1.00 2.45 H new ATOM 0 HB3 PHE A 107 8.816 -1.532 -7.932 1.00 2.45 H new ATOM 0 HD1 PHE A 107 7.338 -1.443 -4.508 1.00 0.25 H new ATOM 0 HD2 PHE A 107 7.453 0.363 -8.369 1.00 54.13 H new ATOM 0 HE1 PHE A 107 5.955 0.411 -3.682 1.00 43.45 H new ATOM 0 HE2 PHE A 107 6.078 2.221 -7.541 1.00 20.14 H new ATOM 0 HZ PHE A 107 5.322 2.245 -5.198 1.00 40.42 H new ATOM 1686 N ASN A 108 6.705 -3.115 -9.566 1.00 35.20 N ATOM 1687 CA ASN A 108 5.741 -2.951 -10.663 1.00 61.22 C ATOM 1688 C ASN A 108 4.408 -3.666 -10.365 1.00 44.55 C ATOM 1689 O ASN A 108 3.333 -3.165 -10.701 1.00 14.43 O ATOM 1690 CB ASN A 108 6.353 -3.452 -11.984 1.00 61.02 C ATOM 1691 CG ASN A 108 7.000 -4.825 -11.863 1.00 72.12 C ATOM 1692 OD1 ASN A 108 6.577 -5.665 -11.075 1.00 34.42 O ATOM 1693 ND2 ASN A 108 8.035 -5.066 -12.640 1.00 25.12 N ATOM 0 H ASN A 108 7.611 -3.480 -9.859 1.00 35.20 H new ATOM 0 HA ASN A 108 5.518 -1.888 -10.759 1.00 61.22 H new ATOM 0 HB2 ASN A 108 5.575 -3.490 -12.746 1.00 61.02 H new ATOM 0 HB3 ASN A 108 7.099 -2.735 -12.326 1.00 61.02 H new ATOM 0 HD21 ASN A 108 8.506 -5.969 -12.596 1.00 25.12 H new ATOM 0 HD22 ASN A 108 8.366 -4.349 -13.286 1.00 25.12 H new ATOM 1700 N LYS A 109 4.484 -4.831 -9.719 1.00 2.15 N ATOM 1701 CA LYS A 109 3.284 -5.558 -9.283 1.00 33.12 C ATOM 1702 C LYS A 109 2.511 -4.762 -8.223 1.00 61.22 C ATOM 1703 O LYS A 109 1.280 -4.673 -8.262 1.00 55.10 O ATOM 1704 CB LYS A 109 3.667 -6.934 -8.717 1.00 53.34 C ATOM 1705 CG LYS A 109 4.355 -7.847 -9.728 1.00 73.21 C ATOM 1706 CD LYS A 109 4.832 -9.148 -9.086 1.00 25.51 C ATOM 1707 CE LYS A 109 3.680 -10.018 -8.609 1.00 75.44 C ATOM 1708 NZ LYS A 109 4.166 -11.240 -7.915 1.00 71.54 N ATOM 0 H LYS A 109 5.362 -5.294 -9.485 1.00 2.15 H new ATOM 0 HA LYS A 109 2.642 -5.693 -10.154 1.00 33.12 H new ATOM 0 HB2 LYS A 109 4.327 -6.793 -7.861 1.00 53.34 H new ATOM 0 HB3 LYS A 109 2.768 -7.428 -8.349 1.00 53.34 H new ATOM 0 HG2 LYS A 109 3.665 -8.074 -10.541 1.00 73.21 H new ATOM 0 HG3 LYS A 109 5.205 -7.326 -10.168 1.00 73.21 H new ATOM 0 HD2 LYS A 109 5.431 -9.706 -9.806 1.00 25.51 H new ATOM 0 HD3 LYS A 109 5.482 -8.916 -8.242 1.00 25.51 H new ATOM 0 HE2 LYS A 109 3.045 -9.444 -7.934 1.00 75.44 H new ATOM 0 HE3 LYS A 109 3.063 -10.304 -9.461 1.00 75.44 H new ATOM 0 HZ1 LYS A 109 3.545 -12.041 -8.148 1.00 71.54 H new ATOM 0 HZ2 LYS A 109 5.136 -11.452 -8.224 1.00 71.54 H new ATOM 0 HZ3 LYS A 109 4.157 -11.082 -6.887 1.00 71.54 H new ATOM 1722 N VAL A 110 3.250 -4.178 -7.282 1.00 31.01 N ATOM 1723 CA VAL A 110 2.658 -3.375 -6.209 1.00 34.05 C ATOM 1724 C VAL A 110 1.981 -2.118 -6.770 1.00 5.04 C ATOM 1725 O VAL A 110 0.809 -1.854 -6.503 1.00 41.01 O ATOM 1726 CB VAL A 110 3.732 -2.951 -5.178 1.00 65.44 C ATOM 1727 CG1 VAL A 110 3.098 -2.225 -3.992 1.00 62.12 C ATOM 1728 CG2 VAL A 110 4.542 -4.160 -4.714 1.00 44.01 C ATOM 0 H VAL A 110 4.267 -4.246 -7.239 1.00 31.01 H new ATOM 0 HA VAL A 110 1.910 -3.996 -5.717 1.00 34.05 H new ATOM 0 HB VAL A 110 4.414 -2.255 -5.666 1.00 65.44 H new ATOM 0 HG11 VAL A 110 3.875 -1.938 -3.283 1.00 62.12 H new ATOM 0 HG12 VAL A 110 2.582 -1.332 -4.345 1.00 62.12 H new ATOM 0 HG13 VAL A 110 2.384 -2.886 -3.500 1.00 62.12 H new ATOM 0 HG21 VAL A 110 5.291 -3.840 -3.990 1.00 44.01 H new ATOM 0 HG22 VAL A 110 3.876 -4.888 -4.250 1.00 44.01 H new ATOM 0 HG23 VAL A 110 5.037 -4.617 -5.571 1.00 44.01 H new ATOM 1738 N LEU A 111 2.733 -1.358 -7.562 1.00 73.24 N ATOM 1739 CA LEU A 111 2.240 -0.114 -8.155 1.00 53.22 C ATOM 1740 C LEU A 111 0.991 -0.355 -9.023 1.00 41.14 C ATOM 1741 O LEU A 111 -0.017 0.335 -8.875 1.00 44.03 O ATOM 1742 CB LEU A 111 3.357 0.537 -8.984 1.00 23.40 C ATOM 1743 CG LEU A 111 3.036 1.928 -9.552 1.00 1.23 C ATOM 1744 CD1 LEU A 111 2.684 2.904 -8.430 1.00 71.13 C ATOM 1745 CD2 LEU A 111 4.215 2.448 -10.371 1.00 32.15 C ATOM 0 H LEU A 111 3.696 -1.584 -7.811 1.00 73.24 H new ATOM 0 HA LEU A 111 1.948 0.559 -7.349 1.00 53.22 H new ATOM 0 HB2 LEU A 111 4.249 0.615 -8.362 1.00 23.40 H new ATOM 0 HB3 LEU A 111 3.604 -0.126 -9.813 1.00 23.40 H new ATOM 0 HG LEU A 111 2.169 1.843 -10.207 1.00 1.23 H new ATOM 0 HD11 LEU A 111 2.460 3.882 -8.856 1.00 71.13 H new ATOM 0 HD12 LEU A 111 1.813 2.536 -7.888 1.00 71.13 H new ATOM 0 HD13 LEU A 111 3.527 2.990 -7.745 1.00 71.13 H new ATOM 0 HD21 LEU A 111 3.975 3.434 -10.768 1.00 32.15 H new ATOM 0 HD22 LEU A 111 5.097 2.518 -9.735 1.00 32.15 H new ATOM 0 HD23 LEU A 111 4.415 1.764 -11.196 1.00 32.15 H new ATOM 1757 N SER A 112 1.057 -1.346 -9.915 1.00 71.34 N ATOM 1758 CA SER A 112 -0.089 -1.699 -10.773 1.00 71.11 C ATOM 1759 C SER A 112 -1.316 -2.099 -9.935 1.00 0.02 C ATOM 1760 O SER A 112 -2.459 -1.832 -10.318 1.00 42.44 O ATOM 1761 CB SER A 112 0.285 -2.844 -11.724 1.00 24.20 C ATOM 1762 OG SER A 112 1.413 -2.503 -12.518 1.00 33.40 O ATOM 0 H SER A 112 1.887 -1.920 -10.066 1.00 71.34 H new ATOM 0 HA SER A 112 -0.347 -0.816 -11.357 1.00 71.11 H new ATOM 0 HB2 SER A 112 0.501 -3.744 -11.148 1.00 24.20 H new ATOM 0 HB3 SER A 112 -0.562 -3.075 -12.370 1.00 24.20 H new ATOM 0 HG SER A 112 2.233 -2.781 -12.058 1.00 33.40 H new ATOM 1768 N SER A 113 -1.074 -2.740 -8.791 1.00 33.33 N ATOM 1769 CA SER A 113 -2.156 -3.101 -7.860 1.00 23.33 C ATOM 1770 C SER A 113 -2.776 -1.849 -7.222 1.00 63.54 C ATOM 1771 O SER A 113 -4.000 -1.719 -7.146 1.00 2.13 O ATOM 1772 CB SER A 113 -1.637 -4.040 -6.760 1.00 15.33 C ATOM 1773 OG SER A 113 -2.678 -4.424 -5.872 1.00 63.02 O ATOM 0 H SER A 113 -0.143 -3.021 -8.483 1.00 33.33 H new ATOM 0 HA SER A 113 -2.925 -3.618 -8.434 1.00 23.33 H new ATOM 0 HB2 SER A 113 -1.199 -4.928 -7.215 1.00 15.33 H new ATOM 0 HB3 SER A 113 -0.844 -3.544 -6.200 1.00 15.33 H new ATOM 0 HG SER A 113 -3.389 -4.873 -6.376 1.00 63.02 H new ATOM 1779 N LEU A 114 -1.922 -0.922 -6.779 1.00 51.15 N ATOM 1780 CA LEU A 114 -2.380 0.346 -6.194 1.00 4.21 C ATOM 1781 C LEU A 114 -3.180 1.175 -7.213 1.00 13.41 C ATOM 1782 O LEU A 114 -4.208 1.768 -6.879 1.00 14.50 O ATOM 1783 CB LEU A 114 -1.183 1.158 -5.680 1.00 41.01 C ATOM 1784 CG LEU A 114 -0.357 0.479 -4.573 1.00 13.22 C ATOM 1785 CD1 LEU A 114 0.820 1.360 -4.156 1.00 30.43 C ATOM 1786 CD2 LEU A 114 -1.239 0.146 -3.367 1.00 22.21 C ATOM 0 H LEU A 114 -0.908 -1.024 -6.814 1.00 51.15 H new ATOM 0 HA LEU A 114 -3.038 0.110 -5.358 1.00 4.21 H new ATOM 0 HB2 LEU A 114 -0.524 1.376 -6.521 1.00 41.01 H new ATOM 0 HB3 LEU A 114 -1.547 2.114 -5.304 1.00 41.01 H new ATOM 0 HG LEU A 114 0.042 -0.454 -4.971 1.00 13.22 H new ATOM 0 HD11 LEU A 114 1.389 0.860 -3.373 1.00 30.43 H new ATOM 0 HD12 LEU A 114 1.465 1.537 -5.017 1.00 30.43 H new ATOM 0 HD13 LEU A 114 0.446 2.313 -3.781 1.00 30.43 H new ATOM 0 HD21 LEU A 114 -0.636 -0.333 -2.596 1.00 22.21 H new ATOM 0 HD22 LEU A 114 -1.673 1.063 -2.970 1.00 22.21 H new ATOM 0 HD23 LEU A 114 -2.037 -0.529 -3.675 1.00 22.21 H new ATOM 1798 N VAL A 115 -2.703 1.209 -8.457 1.00 52.10 N ATOM 1799 CA VAL A 115 -3.430 1.874 -9.544 1.00 64.11 C ATOM 1800 C VAL A 115 -4.833 1.271 -9.703 1.00 60.10 C ATOM 1801 O VAL A 115 -5.822 1.995 -9.810 1.00 55.12 O ATOM 1802 CB VAL A 115 -2.665 1.772 -10.890 1.00 42.42 C ATOM 1803 CG1 VAL A 115 -3.477 2.384 -12.034 1.00 25.11 C ATOM 1804 CG2 VAL A 115 -1.296 2.440 -10.782 1.00 4.03 C ATOM 0 H VAL A 115 -1.819 0.786 -8.739 1.00 52.10 H new ATOM 0 HA VAL A 115 -3.516 2.928 -9.278 1.00 64.11 H new ATOM 0 HB VAL A 115 -2.516 0.716 -11.113 1.00 42.42 H new ATOM 0 HG11 VAL A 115 -2.916 2.298 -12.965 1.00 25.11 H new ATOM 0 HG12 VAL A 115 -4.425 1.854 -12.131 1.00 25.11 H new ATOM 0 HG13 VAL A 115 -3.669 3.436 -11.822 1.00 25.11 H new ATOM 0 HG21 VAL A 115 -0.775 2.358 -11.736 1.00 4.03 H new ATOM 0 HG22 VAL A 115 -1.424 3.492 -10.527 1.00 4.03 H new ATOM 0 HG23 VAL A 115 -0.711 1.947 -10.005 1.00 4.03 H new ATOM 1814 N THR A 116 -4.911 -0.062 -9.703 1.00 65.32 N ATOM 1815 CA THR A 116 -6.206 -0.761 -9.748 1.00 13.33 C ATOM 1816 C THR A 116 -7.074 -0.394 -8.539 1.00 60.22 C ATOM 1817 O THR A 116 -8.280 -0.180 -8.667 1.00 3.10 O ATOM 1818 CB THR A 116 -6.031 -2.299 -9.780 1.00 41.45 C ATOM 1819 OG1 THR A 116 -5.248 -2.685 -10.922 1.00 41.44 O ATOM 1820 CG2 THR A 116 -7.387 -3.008 -9.823 1.00 43.03 C ATOM 0 H THR A 116 -4.100 -0.680 -9.673 1.00 65.32 H new ATOM 0 HA THR A 116 -6.697 -0.440 -10.667 1.00 13.33 H new ATOM 0 HB THR A 116 -5.514 -2.597 -8.868 1.00 41.45 H new ATOM 0 HG1 THR A 116 -4.316 -2.412 -10.787 1.00 41.44 H new ATOM 0 HG21 THR A 116 -7.233 -4.087 -9.845 1.00 43.03 H new ATOM 0 HG22 THR A 116 -7.965 -2.742 -8.938 1.00 43.03 H new ATOM 0 HG23 THR A 116 -7.930 -2.701 -10.717 1.00 43.03 H new ATOM 1828 N LEU A 117 -6.445 -0.325 -7.368 1.00 54.22 N ATOM 1829 CA LEU A 117 -7.128 0.059 -6.130 1.00 63.24 C ATOM 1830 C LEU A 117 -7.744 1.465 -6.249 1.00 33.25 C ATOM 1831 O LEU A 117 -8.836 1.723 -5.739 1.00 30.40 O ATOM 1832 CB LEU A 117 -6.144 -0.005 -4.953 1.00 2.25 C ATOM 1833 CG LEU A 117 -6.739 0.269 -3.562 1.00 71.05 C ATOM 1834 CD1 LEU A 117 -7.841 -0.734 -3.233 1.00 52.20 C ATOM 1835 CD2 LEU A 117 -5.647 0.230 -2.498 1.00 12.04 C ATOM 0 H LEU A 117 -5.453 -0.532 -7.248 1.00 54.22 H new ATOM 0 HA LEU A 117 -7.942 -0.643 -5.951 1.00 63.24 H new ATOM 0 HB2 LEU A 117 -5.685 -0.994 -4.942 1.00 2.25 H new ATOM 0 HB3 LEU A 117 -5.346 0.715 -5.133 1.00 2.25 H new ATOM 0 HG LEU A 117 -7.180 1.266 -3.572 1.00 71.05 H new ATOM 0 HD11 LEU A 117 -8.246 -0.519 -2.244 1.00 52.20 H new ATOM 0 HD12 LEU A 117 -8.636 -0.657 -3.975 1.00 52.20 H new ATOM 0 HD13 LEU A 117 -7.430 -1.743 -3.245 1.00 52.20 H new ATOM 0 HD21 LEU A 117 -6.085 0.426 -1.519 1.00 12.04 H new ATOM 0 HD22 LEU A 117 -5.177 -0.754 -2.495 1.00 12.04 H new ATOM 0 HD23 LEU A 117 -4.897 0.990 -2.718 1.00 12.04 H new ATOM 1847 N ASN A 118 -7.041 2.368 -6.933 1.00 53.24 N ATOM 1848 CA ASN A 118 -7.567 3.709 -7.209 1.00 63.32 C ATOM 1849 C ASN A 118 -8.704 3.656 -8.246 1.00 70.21 C ATOM 1850 O ASN A 118 -9.717 4.330 -8.100 1.00 74.23 O ATOM 1851 CB ASN A 118 -6.443 4.635 -7.692 1.00 5.43 C ATOM 1852 CG ASN A 118 -6.941 6.034 -8.027 1.00 11.13 C ATOM 1853 OD1 ASN A 118 -7.258 6.337 -9.173 1.00 71.24 O ATOM 1854 ND2 ASN A 118 -7.019 6.897 -7.033 1.00 71.32 N ATOM 0 H ASN A 118 -6.107 2.198 -7.306 1.00 53.24 H new ATOM 0 HA ASN A 118 -7.976 4.109 -6.281 1.00 63.32 H new ATOM 0 HB2 ASN A 118 -5.675 4.701 -6.921 1.00 5.43 H new ATOM 0 HB3 ASN A 118 -5.972 4.200 -8.574 1.00 5.43 H new ATOM 0 HD21 ASN A 118 -7.350 7.846 -7.206 1.00 71.32 H new ATOM 0 HD22 ASN A 118 -6.748 6.615 -6.091 1.00 71.32 H new ATOM 1861 N LYS A 119 -8.528 2.841 -9.284 1.00 52.15 N ATOM 1862 CA LYS A 119 -9.548 2.674 -10.334 1.00 45.34 C ATOM 1863 C LYS A 119 -10.902 2.220 -9.758 1.00 14.43 C ATOM 1864 O LYS A 119 -11.922 2.891 -9.929 1.00 14.11 O ATOM 1865 CB LYS A 119 -9.067 1.650 -11.374 1.00 52.12 C ATOM 1866 CG LYS A 119 -7.855 2.106 -12.185 1.00 52.04 C ATOM 1867 CD LYS A 119 -7.235 0.956 -12.983 1.00 11.24 C ATOM 1868 CE LYS A 119 -8.231 0.306 -13.941 1.00 54.41 C ATOM 1869 NZ LYS A 119 -7.619 -0.827 -14.688 1.00 71.24 N ATOM 0 H LYS A 119 -7.687 2.281 -9.427 1.00 52.15 H new ATOM 0 HA LYS A 119 -9.693 3.647 -10.804 1.00 45.34 H new ATOM 0 HB2 LYS A 119 -8.820 0.719 -10.864 1.00 52.12 H new ATOM 0 HB3 LYS A 119 -9.887 1.431 -12.058 1.00 52.12 H new ATOM 0 HG2 LYS A 119 -8.154 2.902 -12.868 1.00 52.04 H new ATOM 0 HG3 LYS A 119 -7.106 2.527 -11.513 1.00 52.04 H new ATOM 0 HD2 LYS A 119 -6.382 1.329 -13.549 1.00 11.24 H new ATOM 0 HD3 LYS A 119 -6.855 0.203 -12.293 1.00 11.24 H new ATOM 0 HE2 LYS A 119 -9.094 -0.052 -13.380 1.00 54.41 H new ATOM 0 HE3 LYS A 119 -8.597 1.052 -14.647 1.00 54.41 H new ATOM 0 HZ1 LYS A 119 -8.325 -1.243 -15.328 1.00 71.24 H new ATOM 0 HZ2 LYS A 119 -6.810 -0.481 -15.243 1.00 71.24 H new ATOM 0 HZ3 LYS A 119 -7.293 -1.550 -14.016 1.00 71.24 H new ATOM 1883 N VAL A 120 -10.899 1.079 -9.071 1.00 53.12 N ATOM 1884 CA VAL A 120 -12.132 0.489 -8.532 1.00 41.13 C ATOM 1885 C VAL A 120 -12.855 1.427 -7.547 1.00 32.31 C ATOM 1886 O VAL A 120 -14.086 1.481 -7.518 1.00 71.34 O ATOM 1887 CB VAL A 120 -11.854 -0.874 -7.839 1.00 33.24 C ATOM 1888 CG1 VAL A 120 -11.341 -1.900 -8.848 1.00 64.44 C ATOM 1889 CG2 VAL A 120 -10.867 -0.707 -6.684 1.00 3.03 C ATOM 0 H VAL A 120 -10.056 0.540 -8.872 1.00 53.12 H new ATOM 0 HA VAL A 120 -12.786 0.330 -9.389 1.00 41.13 H new ATOM 0 HB VAL A 120 -12.794 -1.243 -7.428 1.00 33.24 H new ATOM 0 HG11 VAL A 120 -11.153 -2.846 -8.341 1.00 64.44 H new ATOM 0 HG12 VAL A 120 -12.088 -2.048 -9.628 1.00 64.44 H new ATOM 0 HG13 VAL A 120 -10.415 -1.538 -9.296 1.00 64.44 H new ATOM 0 HG21 VAL A 120 -10.689 -1.675 -6.215 1.00 3.03 H new ATOM 0 HG22 VAL A 120 -9.926 -0.309 -7.064 1.00 3.03 H new ATOM 0 HG23 VAL A 120 -11.281 -0.018 -5.948 1.00 3.03 H new ATOM 1899 N THR A 121 -12.094 2.171 -6.747 1.00 24.32 N ATOM 1900 CA THR A 121 -12.681 3.101 -5.769 1.00 61.41 C ATOM 1901 C THR A 121 -13.120 4.419 -6.426 1.00 60.22 C ATOM 1902 O THR A 121 -14.161 4.978 -6.078 1.00 42.02 O ATOM 1903 CB THR A 121 -11.700 3.404 -4.614 1.00 25.43 C ATOM 1904 OG1 THR A 121 -10.464 3.909 -5.134 1.00 52.21 O ATOM 1905 CG2 THR A 121 -11.436 2.151 -3.784 1.00 62.10 C ATOM 0 H THR A 121 -11.074 2.153 -6.752 1.00 24.32 H new ATOM 0 HA THR A 121 -13.562 2.604 -5.363 1.00 61.41 H new ATOM 0 HB THR A 121 -12.155 4.158 -3.972 1.00 25.43 H new ATOM 0 HG1 THR A 121 -9.871 3.160 -5.354 1.00 52.21 H new ATOM 0 HG21 THR A 121 -10.743 2.388 -2.977 1.00 62.10 H new ATOM 0 HG22 THR A 121 -12.374 1.790 -3.362 1.00 62.10 H new ATOM 0 HG23 THR A 121 -11.002 1.379 -4.419 1.00 62.10 H new ATOM 1913 N ALA A 122 -12.331 4.908 -7.382 1.00 42.33 N ATOM 1914 CA ALA A 122 -12.696 6.105 -8.154 1.00 24.04 C ATOM 1915 C ALA A 122 -13.978 5.865 -8.965 1.00 34.32 C ATOM 1916 O ALA A 122 -14.719 6.801 -9.274 1.00 51.24 O ATOM 1917 CB ALA A 122 -11.552 6.521 -9.075 1.00 4.41 C ATOM 0 H ALA A 122 -11.435 4.497 -7.644 1.00 42.33 H new ATOM 0 HA ALA A 122 -12.885 6.915 -7.450 1.00 24.04 H new ATOM 0 HB1 ALA A 122 -11.842 7.408 -9.637 1.00 4.41 H new ATOM 0 HB2 ALA A 122 -10.667 6.743 -8.479 1.00 4.41 H new ATOM 0 HB3 ALA A 122 -11.329 5.709 -9.768 1.00 4.41 H new ATOM 1923 N ASP A 123 -14.226 4.605 -9.322 1.00 11.21 N ATOM 1924 CA ASP A 123 -15.478 4.213 -9.975 1.00 61.32 C ATOM 1925 C ASP A 123 -16.673 4.425 -9.023 1.00 35.44 C ATOM 1926 O ASP A 123 -17.755 4.844 -9.441 1.00 60.21 O ATOM 1927 CB ASP A 123 -15.396 2.748 -10.425 1.00 31.15 C ATOM 1928 CG ASP A 123 -16.582 2.325 -11.275 1.00 62.44 C ATOM 1929 OD1 ASP A 123 -16.655 2.750 -12.449 1.00 51.22 O ATOM 1930 OD2 ASP A 123 -17.441 1.562 -10.784 1.00 50.02 O ATOM 0 H ASP A 123 -13.575 3.835 -9.170 1.00 11.21 H new ATOM 0 HA ASP A 123 -15.630 4.840 -10.853 1.00 61.32 H new ATOM 0 HB2 ASP A 123 -14.477 2.598 -10.992 1.00 31.15 H new ATOM 0 HB3 ASP A 123 -15.337 2.106 -9.546 1.00 31.15 H new