USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=29 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 Set 1.1: A 76 CYS SG : rot -117:sc= -1.96! USER MOD Set 1.2: A 102 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 65 LYS NZ :NH3+ -154:sc= 1.23 (180deg=0) USER MOD Set 2.2: A 67 TYR OH : rot 130:sc= 1.07 USER MOD Single : A 13 SER OG : rot 29:sc= 0.0358 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 17 THR OG1 : rot 73:sc= 0.664 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+ -145:sc= 0.982 (180deg=0.401) USER MOD Single : A 32 LYS NZ :NH3+ 171:sc=-0.00682 (180deg=-0.114) 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= -0.48 F(o=-1,f=-0.48) USER MOD Single : A 44 SER OG : rot -25:sc= 0.502 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot -25:sc= -2.04 USER MOD Single : A 62 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 67:sc= 0.56 USER MOD Single : A 78 SER OG : rot -14:sc= 0.813 USER MOD Single : A 79 ASN : amide:sc= 1.62 K(o=1.6,f=-6.7!) USER MOD Single : A 87 CYS SG : rot 86:sc= -0.155 USER MOD Single : A 90 SER OG : rot 160:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.802 X(o=-0.8,f=-0.99) USER MOD Single : A 105 GLN : amide:sc= -1.19 K(o=-1.2,f=-6.2!) USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 108 ASN : amide:sc= -0.4 K(o=-0.4,f=-12!) USER MOD Single : A 109 LYS NZ :NH3+ -169:sc= 0.739 (180deg=0.693) USER MOD Single : A 112 SER OG : rot 80:sc= 0.973 USER MOD Single : A 113 SER OG : rot 92:sc= 0.243 USER MOD Single : A 116 THR OG1 : rot 179:sc= 0.525 USER MOD Single : A 118 ASN : amide:sc= 0.883 K(o=0.88,f=-0.016) USER MOD Single : A 119 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0255) USER MOD Single : A 121 THR OG1 : rot -89:sc= 0.827 USER MOD ----------------------------------------------------------------- ATOM 195 N SER A 13 4.138 5.942 -12.918 1.00 71.23 N ATOM 196 CA SER A 13 2.808 5.916 -12.290 1.00 3.45 C ATOM 197 C SER A 13 2.897 6.243 -10.793 1.00 62.13 C ATOM 198 O SER A 13 1.935 6.714 -10.190 1.00 2.11 O ATOM 199 CB SER A 13 2.141 4.548 -12.492 1.00 44.03 C ATOM 200 OG SER A 13 1.950 4.275 -13.873 1.00 22.00 O ATOM 0 HA SER A 13 2.198 6.680 -12.772 1.00 3.45 H new ATOM 0 HB2 SER A 13 2.758 3.769 -12.045 1.00 44.03 H new ATOM 0 HB3 SER A 13 1.180 4.528 -11.977 1.00 44.03 H new ATOM 0 HG SER A 13 2.646 4.726 -14.395 1.00 22.00 H new ATOM 206 N ALA A 14 4.070 6.011 -10.210 1.00 12.31 N ATOM 207 CA ALA A 14 4.310 6.310 -8.797 1.00 20.31 C ATOM 208 C ALA A 14 4.225 7.820 -8.504 1.00 31.44 C ATOM 209 O ALA A 14 3.788 8.222 -7.424 1.00 32.43 O ATOM 210 CB ALA A 14 5.667 5.765 -8.377 1.00 44.23 C ATOM 0 H ALA A 14 4.875 5.615 -10.696 1.00 12.31 H new ATOM 0 HA ALA A 14 3.526 5.823 -8.216 1.00 20.31 H new ATOM 0 HB1 ALA A 14 5.840 5.991 -7.325 1.00 44.23 H new ATOM 0 HB2 ALA A 14 5.687 4.685 -8.525 1.00 44.23 H new ATOM 0 HB3 ALA A 14 6.448 6.228 -8.980 1.00 44.23 H new ATOM 216 N GLU A 15 4.627 8.648 -9.477 1.00 5.43 N ATOM 217 CA GLU A 15 4.622 10.114 -9.318 1.00 2.32 C ATOM 218 C GLU A 15 3.244 10.639 -8.881 1.00 13.40 C ATOM 219 O GLU A 15 3.145 11.509 -8.012 1.00 24.54 O ATOM 220 CB GLU A 15 5.062 10.795 -10.629 1.00 44.13 C ATOM 221 CG GLU A 15 6.529 10.551 -10.976 1.00 55.13 C ATOM 222 CD GLU A 15 6.942 11.119 -12.331 1.00 54.43 C ATOM 223 OE1 GLU A 15 7.101 12.349 -12.440 1.00 35.04 O ATOM 224 OE2 GLU A 15 7.145 10.330 -13.284 1.00 4.41 O ATOM 0 H GLU A 15 4.961 8.329 -10.386 1.00 5.43 H new ATOM 0 HA GLU A 15 5.332 10.361 -8.529 1.00 2.32 H new ATOM 0 HB2 GLU A 15 4.438 10.432 -11.446 1.00 44.13 H new ATOM 0 HB3 GLU A 15 4.889 11.868 -10.548 1.00 44.13 H new ATOM 0 HG2 GLU A 15 7.155 10.993 -10.201 1.00 55.13 H new ATOM 0 HG3 GLU A 15 6.721 9.478 -10.968 1.00 55.13 H new ATOM 231 N GLN A 16 2.180 10.095 -9.473 1.00 65.31 N ATOM 232 CA GLN A 16 0.812 10.492 -9.111 1.00 44.41 C ATOM 233 C GLN A 16 0.331 9.748 -7.849 1.00 72.22 C ATOM 234 O GLN A 16 -0.397 10.307 -7.025 1.00 24.31 O ATOM 235 CB GLN A 16 -0.150 10.239 -10.286 1.00 53.25 C ATOM 236 CG GLN A 16 -0.288 8.771 -10.674 1.00 21.30 C ATOM 237 CD GLN A 16 -1.190 8.548 -11.877 1.00 34.21 C ATOM 238 OE1 GLN A 16 -1.279 9.381 -12.774 1.00 42.30 O ATOM 239 NE2 GLN A 16 -1.870 7.423 -11.903 1.00 21.55 N ATOM 0 H GLN A 16 2.234 9.383 -10.201 1.00 65.31 H new ATOM 0 HA GLN A 16 0.819 11.559 -8.889 1.00 44.41 H new ATOM 0 HB2 GLN A 16 -1.134 10.629 -10.026 1.00 53.25 H new ATOM 0 HB3 GLN A 16 0.197 10.802 -11.153 1.00 53.25 H new ATOM 0 HG2 GLN A 16 0.700 8.365 -10.890 1.00 21.30 H new ATOM 0 HG3 GLN A 16 -0.683 8.214 -9.825 1.00 21.30 H new ATOM 0 HE21 GLN A 16 -1.774 6.751 -11.142 1.00 21.55 H new ATOM 0 HE22 GLN A 16 -2.494 7.222 -12.685 1.00 21.55 H new ATOM 248 N THR A 17 0.757 8.491 -7.697 1.00 42.25 N ATOM 249 CA THR A 17 0.376 7.670 -6.535 1.00 20.54 C ATOM 250 C THR A 17 0.799 8.325 -5.212 1.00 33.14 C ATOM 251 O THR A 17 0.060 8.285 -4.228 1.00 3.04 O ATOM 252 CB THR A 17 0.992 6.250 -6.618 1.00 54.03 C ATOM 253 OG1 THR A 17 0.590 5.612 -7.838 1.00 25.41 O ATOM 254 CG2 THR A 17 0.567 5.383 -5.434 1.00 5.15 C ATOM 0 H THR A 17 1.367 8.016 -8.363 1.00 42.25 H new ATOM 0 HA THR A 17 -0.711 7.591 -6.557 1.00 20.54 H new ATOM 0 HB THR A 17 2.076 6.359 -6.593 1.00 54.03 H new ATOM 0 HG1 THR A 17 1.067 6.018 -8.592 1.00 25.41 H new ATOM 0 HG21 THR A 17 1.018 4.395 -5.526 1.00 5.15 H new ATOM 0 HG22 THR A 17 0.898 5.848 -4.505 1.00 5.15 H new ATOM 0 HG23 THR A 17 -0.519 5.287 -5.425 1.00 5.15 H new ATOM 262 N VAL A 18 1.988 8.934 -5.198 1.00 4.10 N ATOM 263 CA VAL A 18 2.477 9.653 -4.011 1.00 42.04 C ATOM 264 C VAL A 18 1.438 10.676 -3.515 1.00 73.22 C ATOM 265 O VAL A 18 1.012 10.636 -2.358 1.00 53.30 O ATOM 266 CB VAL A 18 3.817 10.387 -4.295 1.00 73.34 C ATOM 267 CG1 VAL A 18 4.296 11.152 -3.061 1.00 23.14 C ATOM 268 CG2 VAL A 18 4.887 9.402 -4.764 1.00 0.31 C ATOM 0 H VAL A 18 2.630 8.946 -5.990 1.00 4.10 H new ATOM 0 HA VAL A 18 2.645 8.903 -3.238 1.00 42.04 H new ATOM 0 HB VAL A 18 3.640 11.108 -5.093 1.00 73.34 H new ATOM 0 HG11 VAL A 18 5.235 11.656 -3.287 1.00 23.14 H new ATOM 0 HG12 VAL A 18 3.547 11.891 -2.777 1.00 23.14 H new ATOM 0 HG13 VAL A 18 4.448 10.455 -2.237 1.00 23.14 H new ATOM 0 HG21 VAL A 18 5.816 9.939 -4.957 1.00 0.31 H new ATOM 0 HG22 VAL A 18 5.055 8.652 -3.991 1.00 0.31 H new ATOM 0 HG23 VAL A 18 4.554 8.912 -5.679 1.00 0.31 H new ATOM 278 N THR A 19 1.021 11.574 -4.410 1.00 74.33 N ATOM 279 CA THR A 19 0.023 12.604 -4.079 1.00 32.41 C ATOM 280 C THR A 19 -1.277 11.980 -3.556 1.00 1.03 C ATOM 281 O THR A 19 -1.856 12.453 -2.574 1.00 11.15 O ATOM 282 CB THR A 19 -0.305 13.488 -5.310 1.00 13.33 C ATOM 283 OG1 THR A 19 0.897 14.092 -5.813 1.00 40.31 O ATOM 284 CG2 THR A 19 -1.314 14.582 -4.964 1.00 3.45 C ATOM 0 H THR A 19 1.357 11.612 -5.372 1.00 74.33 H new ATOM 0 HA THR A 19 0.463 13.223 -3.297 1.00 32.41 H new ATOM 0 HB THR A 19 -0.746 12.844 -6.071 1.00 13.33 H new ATOM 0 HG1 THR A 19 0.683 14.648 -6.591 1.00 40.31 H new ATOM 0 HG21 THR A 19 -1.519 15.181 -5.851 1.00 3.45 H new ATOM 0 HG22 THR A 19 -2.239 14.126 -4.612 1.00 3.45 H new ATOM 0 HG23 THR A 19 -0.904 15.221 -4.182 1.00 3.45 H new ATOM 292 N TRP A 20 -1.722 10.907 -4.210 1.00 23.34 N ATOM 293 CA TRP A 20 -2.934 10.189 -3.796 1.00 24.12 C ATOM 294 C TRP A 20 -2.813 9.658 -2.352 1.00 41.12 C ATOM 295 O TRP A 20 -3.747 9.771 -1.556 1.00 1.13 O ATOM 296 CB TRP A 20 -3.217 9.036 -4.772 1.00 51.43 C ATOM 297 CG TRP A 20 -4.465 8.254 -4.456 1.00 21.33 C ATOM 298 CD1 TRP A 20 -5.742 8.735 -4.379 1.00 34.34 C ATOM 299 CD2 TRP A 20 -4.552 6.845 -4.198 1.00 25.21 C ATOM 300 NE1 TRP A 20 -6.614 7.715 -4.082 1.00 52.31 N ATOM 301 CE2 TRP A 20 -5.907 6.545 -3.963 1.00 23.11 C ATOM 302 CE3 TRP A 20 -3.610 5.810 -4.134 1.00 42.03 C ATOM 303 CZ2 TRP A 20 -6.345 5.254 -3.678 1.00 42.33 C ATOM 304 CZ3 TRP A 20 -4.048 4.528 -3.851 1.00 73.35 C ATOM 305 CH2 TRP A 20 -5.404 4.261 -3.623 1.00 43.50 C ATOM 0 H TRP A 20 -1.262 10.513 -5.031 1.00 23.34 H new ATOM 0 HA TRP A 20 -3.768 10.890 -3.818 1.00 24.12 H new ATOM 0 HB2 TRP A 20 -3.300 9.441 -5.781 1.00 51.43 H new ATOM 0 HB3 TRP A 20 -2.365 8.356 -4.771 1.00 51.43 H new ATOM 0 HD1 TRP A 20 -6.025 9.766 -4.530 1.00 34.34 H new ATOM 0 HE1 TRP A 20 -7.623 7.812 -3.968 1.00 52.31 H new ATOM 0 HE3 TRP A 20 -2.562 6.009 -4.302 1.00 42.03 H new ATOM 0 HZ2 TRP A 20 -7.390 5.044 -3.506 1.00 42.33 H new ATOM 0 HZ3 TRP A 20 -3.333 3.720 -3.805 1.00 73.35 H new ATOM 0 HH2 TRP A 20 -5.714 3.251 -3.399 1.00 43.50 H new ATOM 316 N LEU A 21 -1.653 9.095 -2.017 1.00 23.13 N ATOM 317 CA LEU A 21 -1.408 8.579 -0.663 1.00 71.20 C ATOM 318 C LEU A 21 -1.352 9.713 0.374 1.00 1.21 C ATOM 319 O LEU A 21 -1.852 9.578 1.495 1.00 64.44 O ATOM 320 CB LEU A 21 -0.100 7.774 -0.628 1.00 10.05 C ATOM 321 CG LEU A 21 -0.067 6.531 -1.533 1.00 31.43 C ATOM 322 CD1 LEU A 21 1.263 5.795 -1.392 1.00 52.12 C ATOM 323 CD2 LEU A 21 -1.234 5.599 -1.220 1.00 72.43 C ATOM 0 H LEU A 21 -0.868 8.983 -2.659 1.00 23.13 H new ATOM 0 HA LEU A 21 -2.242 7.926 -0.404 1.00 71.20 H new ATOM 0 HB2 LEU A 21 0.720 8.433 -0.914 1.00 10.05 H new ATOM 0 HB3 LEU A 21 0.086 7.460 0.399 1.00 10.05 H new ATOM 0 HG LEU A 21 -0.166 6.863 -2.566 1.00 31.43 H new ATOM 0 HD11 LEU A 21 1.265 4.919 -2.041 1.00 52.12 H new ATOM 0 HD12 LEU A 21 2.079 6.459 -1.677 1.00 52.12 H new ATOM 0 HD13 LEU A 21 1.397 5.480 -0.357 1.00 52.12 H new ATOM 0 HD21 LEU A 21 -1.189 4.727 -1.873 1.00 72.43 H new ATOM 0 HD22 LEU A 21 -1.174 5.277 -0.180 1.00 72.43 H new ATOM 0 HD23 LEU A 21 -2.174 6.126 -1.383 1.00 72.43 H new ATOM 335 N ILE A 22 -0.744 10.836 -0.007 1.00 54.01 N ATOM 336 CA ILE A 22 -0.626 11.991 0.889 1.00 20.25 C ATOM 337 C ILE A 22 -1.997 12.631 1.177 1.00 51.33 C ATOM 338 O ILE A 22 -2.327 12.919 2.327 1.00 41.23 O ATOM 339 CB ILE A 22 0.332 13.064 0.311 1.00 32.12 C ATOM 340 CG1 ILE A 22 1.732 12.469 0.079 1.00 21.22 C ATOM 341 CG2 ILE A 22 0.412 14.274 1.246 1.00 55.01 C ATOM 342 CD1 ILE A 22 2.715 13.434 -0.552 1.00 44.43 C ATOM 0 H ILE A 22 -0.326 10.973 -0.927 1.00 54.01 H new ATOM 0 HA ILE A 22 -0.212 11.615 1.825 1.00 20.25 H new ATOM 0 HB ILE A 22 -0.064 13.397 -0.648 1.00 32.12 H new ATOM 0 HG12 ILE A 22 2.134 12.129 1.034 1.00 21.22 H new ATOM 0 HG13 ILE A 22 1.641 11.590 -0.559 1.00 21.22 H new ATOM 0 HG21 ILE A 22 1.089 15.016 0.823 1.00 55.01 H new ATOM 0 HG22 ILE A 22 -0.580 14.711 1.361 1.00 55.01 H new ATOM 0 HG23 ILE A 22 0.784 13.957 2.220 1.00 55.01 H new ATOM 0 HD11 ILE A 22 3.678 12.939 -0.683 1.00 44.43 H new ATOM 0 HD12 ILE A 22 2.337 13.755 -1.523 1.00 44.43 H new ATOM 0 HD13 ILE A 22 2.838 14.303 0.095 1.00 44.43 H new ATOM 354 N THR A 23 -2.800 12.833 0.131 1.00 10.11 N ATOM 355 CA THR A 23 -4.121 13.471 0.283 1.00 21.23 C ATOM 356 C THR A 23 -5.097 12.594 1.089 1.00 11.11 C ATOM 357 O THR A 23 -6.047 13.099 1.691 1.00 72.44 O ATOM 358 CB THR A 23 -4.758 13.823 -1.086 1.00 40.30 C ATOM 359 OG1 THR A 23 -5.944 14.611 -0.892 1.00 43.34 O ATOM 360 CG2 THR A 23 -5.109 12.571 -1.883 1.00 11.12 C ATOM 0 H THR A 23 -2.567 12.569 -0.826 1.00 10.11 H new ATOM 0 HA THR A 23 -3.944 14.394 0.834 1.00 21.23 H new ATOM 0 HB THR A 23 -4.022 14.394 -1.652 1.00 40.30 H new ATOM 0 HG1 THR A 23 -6.338 14.829 -1.762 1.00 43.34 H new ATOM 0 HG21 THR A 23 -5.553 12.859 -2.836 1.00 11.12 H new ATOM 0 HG22 THR A 23 -4.205 11.990 -2.065 1.00 11.12 H new ATOM 0 HG23 THR A 23 -5.820 11.968 -1.319 1.00 11.12 H new ATOM 368 N LEU A 24 -4.853 11.281 1.105 1.00 2.13 N ATOM 369 CA LEU A 24 -5.665 10.346 1.902 1.00 33.41 C ATOM 370 C LEU A 24 -5.189 10.262 3.363 1.00 14.34 C ATOM 371 O LEU A 24 -5.738 9.501 4.159 1.00 42.22 O ATOM 372 CB LEU A 24 -5.653 8.949 1.265 1.00 63.34 C ATOM 373 CG LEU A 24 -6.503 8.801 -0.008 1.00 41.11 C ATOM 374 CD1 LEU A 24 -6.337 7.412 -0.609 1.00 30.42 C ATOM 375 CD2 LEU A 24 -7.976 9.082 0.293 1.00 52.33 C ATOM 0 H LEU A 24 -4.101 10.838 0.577 1.00 2.13 H new ATOM 0 HA LEU A 24 -6.684 10.733 1.910 1.00 33.41 H new ATOM 0 HB2 LEU A 24 -4.623 8.685 1.027 1.00 63.34 H new ATOM 0 HB3 LEU A 24 -6.005 8.228 2.003 1.00 63.34 H new ATOM 0 HG LEU A 24 -6.154 9.533 -0.737 1.00 41.11 H new ATOM 0 HD11 LEU A 24 -6.947 7.329 -1.508 1.00 30.42 H new ATOM 0 HD12 LEU A 24 -5.290 7.249 -0.864 1.00 30.42 H new ATOM 0 HD13 LEU A 24 -6.655 6.662 0.115 1.00 30.42 H new ATOM 0 HD21 LEU A 24 -8.561 8.972 -0.620 1.00 52.33 H new ATOM 0 HD22 LEU A 24 -8.336 8.376 1.042 1.00 52.33 H new ATOM 0 HD23 LEU A 24 -8.082 10.098 0.672 1.00 52.33 H new ATOM 387 N GLY A 25 -4.160 11.036 3.704 1.00 73.22 N ATOM 388 CA GLY A 25 -3.673 11.090 5.083 1.00 30.25 C ATOM 389 C GLY A 25 -3.018 9.798 5.568 1.00 33.43 C ATOM 390 O GLY A 25 -2.946 9.542 6.772 1.00 72.31 O ATOM 0 H GLY A 25 -3.650 11.631 3.051 1.00 73.22 H new ATOM 0 HA2 GLY A 25 -2.953 11.904 5.170 1.00 30.25 H new ATOM 0 HA3 GLY A 25 -4.507 11.330 5.742 1.00 30.25 H new ATOM 394 N VAL A 26 -2.541 8.972 4.639 1.00 62.22 N ATOM 395 CA VAL A 26 -1.845 7.730 5.001 1.00 0.43 C ATOM 396 C VAL A 26 -0.323 7.870 4.842 1.00 55.34 C ATOM 397 O VAL A 26 0.451 7.173 5.506 1.00 51.23 O ATOM 398 CB VAL A 26 -2.348 6.526 4.165 1.00 22.20 C ATOM 399 CG1 VAL A 26 -3.840 6.308 4.392 1.00 14.54 C ATOM 400 CG2 VAL A 26 -2.045 6.715 2.679 1.00 31.30 C ATOM 0 H VAL A 26 -2.621 9.135 3.635 1.00 62.22 H new ATOM 0 HA VAL A 26 -2.072 7.542 6.050 1.00 0.43 H new ATOM 0 HB VAL A 26 -1.813 5.637 4.498 1.00 22.20 H new ATOM 0 HG11 VAL A 26 -4.178 5.459 3.798 1.00 14.54 H new ATOM 0 HG12 VAL A 26 -4.022 6.108 5.448 1.00 14.54 H new ATOM 0 HG13 VAL A 26 -4.388 7.201 4.093 1.00 14.54 H new ATOM 0 HG21 VAL A 26 -2.411 5.853 2.121 1.00 31.30 H new ATOM 0 HG22 VAL A 26 -2.539 7.617 2.319 1.00 31.30 H new ATOM 0 HG23 VAL A 26 -0.969 6.810 2.536 1.00 31.30 H new ATOM 410 N LEU A 27 0.098 8.781 3.965 1.00 25.33 N ATOM 411 CA LEU A 27 1.520 9.052 3.734 1.00 61.53 C ATOM 412 C LEU A 27 1.833 10.541 3.950 1.00 62.52 C ATOM 413 O LEU A 27 1.001 11.407 3.668 1.00 14.12 O ATOM 414 CB LEU A 27 1.906 8.626 2.309 1.00 61.12 C ATOM 415 CG LEU A 27 3.394 8.780 1.945 1.00 24.21 C ATOM 416 CD1 LEU A 27 4.273 7.946 2.876 1.00 43.42 C ATOM 417 CD2 LEU A 27 3.632 8.393 0.486 1.00 24.42 C ATOM 0 H LEU A 27 -0.531 9.349 3.397 1.00 25.33 H new ATOM 0 HA LEU A 27 2.106 8.476 4.450 1.00 61.53 H new ATOM 0 HB2 LEU A 27 1.624 7.582 2.173 1.00 61.12 H new ATOM 0 HB3 LEU A 27 1.316 9.210 1.603 1.00 61.12 H new ATOM 0 HG LEU A 27 3.668 9.827 2.072 1.00 24.21 H new ATOM 0 HD11 LEU A 27 5.319 8.072 2.598 1.00 43.42 H new ATOM 0 HD12 LEU A 27 4.129 8.276 3.905 1.00 43.42 H new ATOM 0 HD13 LEU A 27 3.999 6.895 2.790 1.00 43.42 H new ATOM 0 HD21 LEU A 27 4.689 8.508 0.247 1.00 24.42 H new ATOM 0 HD22 LEU A 27 3.336 7.355 0.332 1.00 24.42 H new ATOM 0 HD23 LEU A 27 3.041 9.039 -0.163 1.00 24.42 H new ATOM 429 N GLU A 28 3.029 10.830 4.457 1.00 4.02 N ATOM 430 CA GLU A 28 3.450 12.212 4.721 1.00 12.13 C ATOM 431 C GLU A 28 4.053 12.871 3.467 1.00 41.41 C ATOM 432 O GLU A 28 4.416 12.190 2.504 1.00 34.31 O ATOM 433 CB GLU A 28 4.470 12.237 5.871 1.00 23.41 C ATOM 434 CG GLU A 28 5.756 11.468 5.577 1.00 4.10 C ATOM 435 CD GLU A 28 6.715 11.452 6.758 1.00 3.33 C ATOM 436 OE1 GLU A 28 7.247 12.526 7.112 1.00 73.23 O ATOM 437 OE2 GLU A 28 6.941 10.370 7.343 1.00 72.41 O ATOM 0 H GLU A 28 3.728 10.127 4.695 1.00 4.02 H new ATOM 0 HA GLU A 28 2.566 12.783 5.004 1.00 12.13 H new ATOM 0 HB2 GLU A 28 4.722 13.273 6.097 1.00 23.41 H new ATOM 0 HB3 GLU A 28 4.005 11.820 6.764 1.00 23.41 H new ATOM 0 HG2 GLU A 28 5.507 10.443 5.303 1.00 4.10 H new ATOM 0 HG3 GLU A 28 6.253 11.916 4.717 1.00 4.10 H new ATOM 444 N SER A 29 4.163 14.199 3.487 1.00 35.04 N ATOM 445 CA SER A 29 4.719 14.953 2.352 1.00 51.21 C ATOM 446 C SER A 29 6.257 14.868 2.322 1.00 0.00 C ATOM 447 O SER A 29 6.916 14.984 3.360 1.00 31.24 O ATOM 448 CB SER A 29 4.281 16.425 2.421 1.00 73.05 C ATOM 449 OG SER A 29 4.784 17.179 1.323 1.00 72.44 O ATOM 0 H SER A 29 3.876 14.780 4.275 1.00 35.04 H new ATOM 0 HA SER A 29 4.333 14.505 1.436 1.00 51.21 H new ATOM 0 HB2 SER A 29 3.192 16.480 2.431 1.00 73.05 H new ATOM 0 HB3 SER A 29 4.631 16.865 3.355 1.00 73.05 H new ATOM 0 HG SER A 29 4.484 18.109 1.400 1.00 72.44 H new ATOM 455 N PRO A 30 6.856 14.660 1.130 1.00 43.44 N ATOM 456 CA PRO A 30 8.323 14.576 0.981 1.00 24.40 C ATOM 457 C PRO A 30 9.042 15.882 1.365 1.00 42.31 C ATOM 458 O PRO A 30 8.462 16.969 1.310 1.00 35.04 O ATOM 459 CB PRO A 30 8.514 14.269 -0.514 1.00 71.43 C ATOM 460 CG PRO A 30 7.253 14.731 -1.165 1.00 44.12 C ATOM 461 CD PRO A 30 6.163 14.485 -0.160 1.00 42.34 C ATOM 0 HA PRO A 30 8.751 13.824 1.644 1.00 24.40 H new ATOM 0 HB2 PRO A 30 9.381 14.792 -0.917 1.00 71.43 H new ATOM 0 HB3 PRO A 30 8.678 13.204 -0.681 1.00 71.43 H new ATOM 0 HG2 PRO A 30 7.312 15.787 -1.428 1.00 44.12 H new ATOM 0 HG3 PRO A 30 7.065 14.183 -2.088 1.00 44.12 H new ATOM 0 HD2 PRO A 30 5.341 15.191 -0.275 1.00 42.34 H new ATOM 0 HD3 PRO A 30 5.741 13.485 -0.259 1.00 42.34 H new ATOM 469 N LYS A 31 10.312 15.765 1.751 1.00 34.42 N ATOM 470 CA LYS A 31 11.103 16.923 2.191 1.00 74.50 C ATOM 471 C LYS A 31 11.654 17.716 0.994 1.00 71.33 C ATOM 472 O LYS A 31 11.858 18.928 1.081 1.00 14.42 O ATOM 473 CB LYS A 31 12.256 16.472 3.109 1.00 11.15 C ATOM 474 CG LYS A 31 11.809 15.997 4.497 1.00 4.10 C ATOM 475 CD LYS A 31 10.850 14.806 4.426 1.00 23.24 C ATOM 476 CE LYS A 31 10.330 14.399 5.796 1.00 15.54 C ATOM 477 NZ LYS A 31 9.294 13.337 5.697 1.00 53.11 N ATOM 0 H LYS A 31 10.819 14.880 1.769 1.00 34.42 H new ATOM 0 HA LYS A 31 10.441 17.581 2.753 1.00 74.50 H new ATOM 0 HB2 LYS A 31 12.800 15.664 2.619 1.00 11.15 H new ATOM 0 HB3 LYS A 31 12.955 17.300 3.229 1.00 11.15 H new ATOM 0 HG2 LYS A 31 12.685 15.720 5.083 1.00 4.10 H new ATOM 0 HG3 LYS A 31 11.323 16.820 5.021 1.00 4.10 H new ATOM 0 HD2 LYS A 31 10.008 15.058 3.781 1.00 23.24 H new ATOM 0 HD3 LYS A 31 11.360 13.959 3.967 1.00 23.24 H new ATOM 0 HE2 LYS A 31 11.158 14.044 6.409 1.00 15.54 H new ATOM 0 HE3 LYS A 31 9.911 15.270 6.300 1.00 15.54 H new ATOM 0 HZ1 LYS A 31 8.579 13.479 6.439 1.00 53.11 H new ATOM 0 HZ2 LYS A 31 8.838 13.383 4.763 1.00 53.11 H new ATOM 0 HZ3 LYS A 31 9.739 12.405 5.820 1.00 53.11 H new ATOM 491 N LYS A 32 11.900 17.020 -0.115 1.00 62.32 N ATOM 492 CA LYS A 32 12.365 17.656 -1.358 1.00 75.04 C ATOM 493 C LYS A 32 11.618 17.091 -2.575 1.00 52.10 C ATOM 494 O LYS A 32 10.884 16.108 -2.463 1.00 20.43 O ATOM 495 CB LYS A 32 13.877 17.449 -1.541 1.00 35.01 C ATOM 496 CG LYS A 32 14.733 18.175 -0.508 1.00 63.15 C ATOM 497 CD LYS A 32 16.224 17.942 -0.738 1.00 34.20 C ATOM 498 CE LYS A 32 16.677 18.440 -2.108 1.00 24.13 C ATOM 499 NZ LYS A 32 16.441 19.899 -2.279 1.00 1.41 N ATOM 0 H LYS A 32 11.786 16.009 -0.183 1.00 62.32 H new ATOM 0 HA LYS A 32 12.158 18.723 -1.282 1.00 75.04 H new ATOM 0 HB2 LYS A 32 14.095 16.382 -1.493 1.00 35.01 H new ATOM 0 HB3 LYS A 32 14.162 17.789 -2.537 1.00 35.01 H new ATOM 0 HG2 LYS A 32 14.522 19.244 -0.549 1.00 63.15 H new ATOM 0 HG3 LYS A 32 14.462 17.834 0.491 1.00 63.15 H new ATOM 0 HD2 LYS A 32 16.794 18.451 0.039 1.00 34.20 H new ATOM 0 HD3 LYS A 32 16.442 16.878 -0.649 1.00 34.20 H new ATOM 0 HE2 LYS A 32 17.738 18.227 -2.238 1.00 24.13 H new ATOM 0 HE3 LYS A 32 16.145 17.893 -2.886 1.00 24.13 H new ATOM 0 HZ1 LYS A 32 16.898 20.224 -3.155 1.00 1.41 H new ATOM 0 HZ2 LYS A 32 15.419 20.081 -2.333 1.00 1.41 H new ATOM 0 HZ3 LYS A 32 16.841 20.413 -1.468 1.00 1.41 H new ATOM 513 N THR A 33 11.816 17.714 -3.737 1.00 14.20 N ATOM 514 CA THR A 33 11.205 17.238 -4.987 1.00 1.51 C ATOM 515 C THR A 33 11.676 15.813 -5.322 1.00 10.43 C ATOM 516 O THR A 33 12.871 15.567 -5.477 1.00 31.51 O ATOM 517 CB THR A 33 11.539 18.182 -6.172 1.00 71.24 C ATOM 518 OG1 THR A 33 11.092 19.520 -5.883 1.00 51.30 O ATOM 519 CG2 THR A 33 10.892 17.704 -7.470 1.00 4.23 C ATOM 0 H THR A 33 12.393 18.548 -3.843 1.00 14.20 H new ATOM 0 HA THR A 33 10.126 17.232 -4.835 1.00 1.51 H new ATOM 0 HB THR A 33 12.621 18.173 -6.303 1.00 71.24 H new ATOM 0 HG1 THR A 33 11.309 20.107 -6.637 1.00 51.30 H new ATOM 0 HG21 THR A 33 11.148 18.389 -8.278 1.00 4.23 H new ATOM 0 HG22 THR A 33 11.256 16.706 -7.712 1.00 4.23 H new ATOM 0 HG23 THR A 33 9.809 17.675 -7.348 1.00 4.23 H new ATOM 527 N ILE A 34 10.732 14.883 -5.431 1.00 73.43 N ATOM 528 CA ILE A 34 11.055 13.461 -5.611 1.00 41.43 C ATOM 529 C ILE A 34 11.533 13.133 -7.036 1.00 4.25 C ATOM 530 O ILE A 34 10.845 13.410 -8.023 1.00 70.24 O ATOM 531 CB ILE A 34 9.837 12.565 -5.278 1.00 53.31 C ATOM 532 CG1 ILE A 34 9.326 12.852 -3.856 1.00 34.45 C ATOM 533 CG2 ILE A 34 10.196 11.086 -5.432 1.00 0.51 C ATOM 534 CD1 ILE A 34 8.116 12.025 -3.467 1.00 71.23 C ATOM 0 H ILE A 34 9.733 15.084 -5.398 1.00 73.43 H new ATOM 0 HA ILE A 34 11.872 13.254 -4.920 1.00 41.43 H new ATOM 0 HB ILE A 34 9.039 12.798 -5.983 1.00 53.31 H new ATOM 0 HG12 ILE A 34 10.130 12.661 -3.145 1.00 34.45 H new ATOM 0 HG13 ILE A 34 9.074 13.909 -3.776 1.00 34.45 H new ATOM 0 HG21 ILE A 34 9.326 10.474 -5.193 1.00 0.51 H new ATOM 0 HG22 ILE A 34 10.506 10.892 -6.459 1.00 0.51 H new ATOM 0 HG23 ILE A 34 11.012 10.837 -4.754 1.00 0.51 H new ATOM 0 HD11 ILE A 34 7.812 12.281 -2.452 1.00 71.23 H new ATOM 0 HD12 ILE A 34 7.297 12.233 -4.155 1.00 71.23 H new ATOM 0 HD13 ILE A 34 8.369 10.966 -3.514 1.00 71.23 H new ATOM 546 N SER A 35 12.719 12.537 -7.129 1.00 34.44 N ATOM 547 CA SER A 35 13.243 12.016 -8.400 1.00 10.55 C ATOM 548 C SER A 35 12.892 10.531 -8.566 1.00 10.33 C ATOM 549 O SER A 35 12.540 10.079 -9.659 1.00 61.20 O ATOM 550 CB SER A 35 14.766 12.186 -8.468 1.00 31.22 C ATOM 551 OG SER A 35 15.295 11.629 -9.663 1.00 70.13 O ATOM 0 H SER A 35 13.344 12.400 -6.335 1.00 34.44 H new ATOM 0 HA SER A 35 12.781 12.585 -9.207 1.00 10.55 H new ATOM 0 HB2 SER A 35 15.019 13.245 -8.415 1.00 31.22 H new ATOM 0 HB3 SER A 35 15.227 11.705 -7.605 1.00 31.22 H new ATOM 0 HG SER A 35 16.267 11.753 -9.680 1.00 70.13 H new ATOM 557 N ASP A 36 12.997 9.776 -7.471 1.00 31.35 N ATOM 558 CA ASP A 36 12.690 8.340 -7.463 1.00 44.21 C ATOM 559 C ASP A 36 11.403 8.041 -6.658 1.00 53.43 C ATOM 560 O ASP A 36 11.450 7.754 -5.460 1.00 1.41 O ATOM 561 CB ASP A 36 13.888 7.553 -6.903 1.00 51.24 C ATOM 562 CG ASP A 36 14.306 7.999 -5.503 1.00 33.42 C ATOM 563 OD1 ASP A 36 14.580 9.206 -5.304 1.00 53.11 O ATOM 564 OD2 ASP A 36 14.370 7.145 -4.594 1.00 43.40 O ATOM 0 H ASP A 36 13.296 10.139 -6.566 1.00 31.35 H new ATOM 0 HA ASP A 36 12.508 8.021 -8.489 1.00 44.21 H new ATOM 0 HB2 ASP A 36 13.637 6.493 -6.879 1.00 51.24 H new ATOM 0 HB3 ASP A 36 14.735 7.665 -7.580 1.00 51.24 H new ATOM 569 N PRO A 37 10.222 8.122 -7.307 1.00 71.03 N ATOM 570 CA PRO A 37 8.936 7.938 -6.616 1.00 12.21 C ATOM 571 C PRO A 37 8.648 6.476 -6.227 1.00 13.31 C ATOM 572 O PRO A 37 8.139 6.219 -5.134 1.00 31.44 O ATOM 573 CB PRO A 37 7.907 8.474 -7.619 1.00 62.33 C ATOM 574 CG PRO A 37 8.556 8.364 -8.961 1.00 5.13 C ATOM 575 CD PRO A 37 10.051 8.401 -8.746 1.00 24.55 C ATOM 0 HA PRO A 37 8.918 8.460 -5.659 1.00 12.21 H new ATOM 0 HB2 PRO A 37 6.985 7.894 -7.581 1.00 62.33 H new ATOM 0 HB3 PRO A 37 7.643 9.508 -7.395 1.00 62.33 H new ATOM 0 HG2 PRO A 37 8.262 7.437 -9.454 1.00 5.13 H new ATOM 0 HG3 PRO A 37 8.241 9.183 -9.608 1.00 5.13 H new ATOM 0 HD2 PRO A 37 10.559 7.656 -9.358 1.00 24.55 H new ATOM 0 HD3 PRO A 37 10.467 9.372 -9.015 1.00 24.55 H new ATOM 583 N GLU A 38 8.971 5.517 -7.102 1.00 73.21 N ATOM 584 CA GLU A 38 8.803 4.093 -6.762 1.00 30.33 C ATOM 585 C GLU A 38 9.644 3.717 -5.533 1.00 33.41 C ATOM 586 O GLU A 38 9.175 3.007 -4.642 1.00 2.11 O ATOM 587 CB GLU A 38 9.170 3.171 -7.940 1.00 44.33 C ATOM 588 CG GLU A 38 8.243 3.293 -9.152 1.00 32.22 C ATOM 589 CD GLU A 38 8.766 4.254 -10.206 1.00 42.44 C ATOM 590 OE1 GLU A 38 8.780 5.470 -9.949 1.00 4.41 O ATOM 591 OE2 GLU A 38 9.172 3.792 -11.293 1.00 11.53 O ATOM 0 H GLU A 38 9.344 5.692 -8.035 1.00 73.21 H new ATOM 0 HA GLU A 38 7.747 3.949 -6.533 1.00 30.33 H new ATOM 0 HB2 GLU A 38 10.190 3.392 -8.254 1.00 44.33 H new ATOM 0 HB3 GLU A 38 9.160 2.138 -7.593 1.00 44.33 H new ATOM 0 HG2 GLU A 38 8.109 2.309 -9.600 1.00 32.22 H new ATOM 0 HG3 GLU A 38 7.261 3.628 -8.819 1.00 32.22 H new ATOM 598 N GLY A 39 10.889 4.196 -5.493 1.00 34.20 N ATOM 599 CA GLY A 39 11.739 3.982 -4.325 1.00 53.24 C ATOM 600 C GLY A 39 11.167 4.619 -3.061 1.00 11.43 C ATOM 601 O GLY A 39 11.124 3.988 -1.998 1.00 72.11 O ATOM 0 H GLY A 39 11.325 4.728 -6.246 1.00 34.20 H new ATOM 0 HA2 GLY A 39 11.866 2.912 -4.163 1.00 53.24 H new ATOM 0 HA3 GLY A 39 12.729 4.394 -4.520 1.00 53.24 H new ATOM 605 N PHE A 40 10.718 5.868 -3.186 1.00 54.35 N ATOM 606 CA PHE A 40 10.083 6.595 -2.079 1.00 51.32 C ATOM 607 C PHE A 40 8.891 5.809 -1.498 1.00 73.05 C ATOM 608 O PHE A 40 8.734 5.703 -0.276 1.00 61.21 O ATOM 609 CB PHE A 40 9.621 7.979 -2.569 1.00 23.20 C ATOM 610 CG PHE A 40 8.964 8.830 -1.505 1.00 12.12 C ATOM 611 CD1 PHE A 40 9.733 9.535 -0.589 1.00 64.43 C ATOM 612 CD2 PHE A 40 7.579 8.929 -1.425 1.00 13.11 C ATOM 613 CE1 PHE A 40 9.135 10.317 0.382 1.00 71.22 C ATOM 614 CE2 PHE A 40 6.980 9.711 -0.455 1.00 31.01 C ATOM 615 CZ PHE A 40 7.758 10.405 0.450 1.00 22.04 C ATOM 0 H PHE A 40 10.782 6.405 -4.051 1.00 54.35 H new ATOM 0 HA PHE A 40 10.817 6.716 -1.283 1.00 51.32 H new ATOM 0 HB2 PHE A 40 10.482 8.516 -2.967 1.00 23.20 H new ATOM 0 HB3 PHE A 40 8.921 7.844 -3.393 1.00 23.20 H new ATOM 0 HD1 PHE A 40 10.810 9.472 -0.635 1.00 64.43 H new ATOM 0 HD2 PHE A 40 6.964 8.388 -2.129 1.00 13.11 H new ATOM 0 HE1 PHE A 40 9.745 10.860 1.088 1.00 71.22 H new ATOM 0 HE2 PHE A 40 5.903 9.779 -0.405 1.00 31.01 H new ATOM 0 HZ PHE A 40 7.291 11.015 1.209 1.00 22.04 H new ATOM 625 N LEU A 41 8.056 5.260 -2.379 1.00 61.35 N ATOM 626 CA LEU A 41 6.891 4.469 -1.961 1.00 21.44 C ATOM 627 C LEU A 41 7.302 3.111 -1.373 1.00 71.34 C ATOM 628 O LEU A 41 6.803 2.707 -0.328 1.00 2.00 O ATOM 629 CB LEU A 41 5.940 4.252 -3.147 1.00 63.44 C ATOM 630 CG LEU A 41 5.351 5.530 -3.765 1.00 31.54 C ATOM 631 CD1 LEU A 41 4.452 5.189 -4.950 1.00 50.20 C ATOM 632 CD2 LEU A 41 4.589 6.333 -2.715 1.00 60.11 C ATOM 0 H LEU A 41 8.162 5.347 -3.390 1.00 61.35 H new ATOM 0 HA LEU A 41 6.380 5.033 -1.181 1.00 21.44 H new ATOM 0 HB2 LEU A 41 6.475 3.707 -3.924 1.00 63.44 H new ATOM 0 HB3 LEU A 41 5.118 3.615 -2.819 1.00 63.44 H new ATOM 0 HG LEU A 41 6.173 6.146 -4.131 1.00 31.54 H new ATOM 0 HD11 LEU A 41 4.045 6.107 -5.374 1.00 50.20 H new ATOM 0 HD12 LEU A 41 5.033 4.666 -5.709 1.00 50.20 H new ATOM 0 HD13 LEU A 41 3.635 4.550 -4.615 1.00 50.20 H new ATOM 0 HD21 LEU A 41 4.180 7.234 -3.172 1.00 60.11 H new ATOM 0 HD22 LEU A 41 3.776 5.728 -2.314 1.00 60.11 H new ATOM 0 HD23 LEU A 41 5.266 6.612 -1.908 1.00 60.11 H new ATOM 644 N GLN A 42 8.217 2.413 -2.044 1.00 33.15 N ATOM 645 CA GLN A 42 8.669 1.088 -1.593 1.00 24.22 C ATOM 646 C GLN A 42 9.166 1.135 -0.135 1.00 23.15 C ATOM 647 O GLN A 42 8.835 0.267 0.671 1.00 61.21 O ATOM 648 CB GLN A 42 9.773 0.569 -2.538 1.00 41.22 C ATOM 649 CG GLN A 42 10.073 -0.935 -2.434 1.00 1.03 C ATOM 650 CD GLN A 42 11.010 -1.305 -1.291 1.00 52.40 C ATOM 651 OE1 GLN A 42 10.461 -1.646 -0.144 1.00 33.31 O flip ATOM 652 NE2 GLN A 42 12.225 -1.301 -1.447 1.00 23.11 N flip ATOM 0 H GLN A 42 8.663 2.739 -2.902 1.00 33.15 H new ATOM 0 HA GLN A 42 7.824 0.400 -1.624 1.00 24.22 H new ATOM 0 HB2 GLN A 42 9.485 0.795 -3.565 1.00 41.22 H new ATOM 0 HB3 GLN A 42 10.691 1.121 -2.335 1.00 41.22 H new ATOM 0 HG2 GLN A 42 9.134 -1.474 -2.309 1.00 1.03 H new ATOM 0 HG3 GLN A 42 10.512 -1.273 -3.373 1.00 1.03 H new ATOM 0 HE21 GLN A 42 12.623 -1.032 -2.347 1.00 23.11 H new ATOM 0 HE22 GLN A 42 12.839 -1.566 -0.677 1.00 23.11 H new ATOM 661 N ALA A 43 9.937 2.167 0.199 1.00 2.52 N ATOM 662 CA ALA A 43 10.484 2.325 1.554 1.00 62.21 C ATOM 663 C ALA A 43 9.387 2.554 2.615 1.00 41.32 C ATOM 664 O ALA A 43 9.528 2.135 3.765 1.00 65.05 O ATOM 665 CB ALA A 43 11.485 3.474 1.577 1.00 2.43 C ATOM 0 H ALA A 43 10.200 2.910 -0.448 1.00 2.52 H new ATOM 0 HA ALA A 43 10.985 1.392 1.812 1.00 62.21 H new ATOM 0 HB1 ALA A 43 11.887 3.586 2.584 1.00 2.43 H new ATOM 0 HB2 ALA A 43 12.298 3.262 0.883 1.00 2.43 H new ATOM 0 HB3 ALA A 43 10.986 4.397 1.280 1.00 2.43 H new ATOM 671 N SER A 44 8.302 3.225 2.226 1.00 34.50 N ATOM 672 CA SER A 44 7.202 3.542 3.157 1.00 62.31 C ATOM 673 C SER A 44 6.181 2.394 3.252 1.00 1.11 C ATOM 674 O SER A 44 5.791 1.981 4.346 1.00 14.04 O ATOM 675 CB SER A 44 6.494 4.833 2.718 1.00 40.22 C ATOM 676 OG SER A 44 5.982 4.719 1.400 1.00 51.24 O ATOM 0 H SER A 44 8.155 3.562 1.275 1.00 34.50 H new ATOM 0 HA SER A 44 7.640 3.681 4.145 1.00 62.31 H new ATOM 0 HB2 SER A 44 5.680 5.056 3.408 1.00 40.22 H new ATOM 0 HB3 SER A 44 7.193 5.668 2.768 1.00 40.22 H new ATOM 0 HG SER A 44 6.495 4.045 0.907 1.00 51.24 H new ATOM 682 N LEU A 45 5.753 1.887 2.100 1.00 64.32 N ATOM 683 CA LEU A 45 4.776 0.789 2.030 1.00 1.54 C ATOM 684 C LEU A 45 5.381 -0.553 2.483 1.00 73.34 C ATOM 685 O LEU A 45 4.657 -1.522 2.713 1.00 43.42 O ATOM 686 CB LEU A 45 4.246 0.656 0.592 1.00 41.43 C ATOM 687 CG LEU A 45 3.657 1.941 -0.019 1.00 42.05 C ATOM 688 CD1 LEU A 45 3.222 1.700 -1.462 1.00 70.45 C ATOM 689 CD2 LEU A 45 2.487 2.456 0.818 1.00 20.44 C ATOM 0 H LEU A 45 6.068 2.219 1.188 1.00 64.32 H new ATOM 0 HA LEU A 45 3.959 1.032 2.710 1.00 1.54 H new ATOM 0 HB2 LEU A 45 5.060 0.311 -0.046 1.00 41.43 H new ATOM 0 HB3 LEU A 45 3.479 -0.118 0.576 1.00 41.43 H new ATOM 0 HG LEU A 45 4.435 2.704 -0.018 1.00 42.05 H new ATOM 0 HD11 LEU A 45 2.809 2.620 -1.876 1.00 70.45 H new ATOM 0 HD12 LEU A 45 4.083 1.390 -2.055 1.00 70.45 H new ATOM 0 HD13 LEU A 45 2.463 0.918 -1.488 1.00 70.45 H new ATOM 0 HD21 LEU A 45 2.088 3.364 0.366 1.00 20.44 H new ATOM 0 HD22 LEU A 45 1.706 1.697 0.857 1.00 20.44 H new ATOM 0 HD23 LEU A 45 2.831 2.675 1.829 1.00 20.44 H new ATOM 701 N LYS A 46 6.710 -0.588 2.610 1.00 12.22 N ATOM 702 CA LYS A 46 7.459 -1.803 2.976 1.00 60.43 C ATOM 703 C LYS A 46 6.854 -2.555 4.180 1.00 51.10 C ATOM 704 O LYS A 46 6.585 -3.754 4.101 1.00 1.14 O ATOM 705 CB LYS A 46 8.917 -1.420 3.275 1.00 23.33 C ATOM 706 CG LYS A 46 9.802 -2.585 3.708 1.00 42.34 C ATOM 707 CD LYS A 46 11.260 -2.157 3.844 1.00 74.33 C ATOM 708 CE LYS A 46 12.152 -3.304 4.303 1.00 0.22 C ATOM 709 NZ LYS A 46 13.590 -2.932 4.249 1.00 22.40 N ATOM 0 H LYS A 46 7.304 0.228 2.462 1.00 12.22 H new ATOM 0 HA LYS A 46 7.403 -2.487 2.129 1.00 60.43 H new ATOM 0 HB2 LYS A 46 9.349 -0.964 2.385 1.00 23.33 H new ATOM 0 HB3 LYS A 46 8.927 -0.662 4.058 1.00 23.33 H new ATOM 0 HG2 LYS A 46 9.447 -2.979 4.660 1.00 42.34 H new ATOM 0 HG3 LYS A 46 9.725 -3.393 2.980 1.00 42.34 H new ATOM 0 HD2 LYS A 46 11.618 -1.781 2.886 1.00 74.33 H new ATOM 0 HD3 LYS A 46 11.331 -1.335 4.556 1.00 74.33 H new ATOM 0 HE2 LYS A 46 11.887 -3.587 5.322 1.00 0.22 H new ATOM 0 HE3 LYS A 46 11.977 -4.177 3.674 1.00 0.22 H new ATOM 0 HZ1 LYS A 46 14.169 -3.735 4.568 1.00 22.40 H new ATOM 0 HZ2 LYS A 46 13.848 -2.685 3.272 1.00 22.40 H new ATOM 0 HZ3 LYS A 46 13.761 -2.115 4.869 1.00 22.40 H new ATOM 723 N ASP A 47 6.640 -1.849 5.288 1.00 13.13 N ATOM 724 CA ASP A 47 6.133 -2.476 6.518 1.00 63.22 C ATOM 725 C ASP A 47 4.613 -2.735 6.467 1.00 33.44 C ATOM 726 O ASP A 47 4.034 -3.251 7.426 1.00 21.41 O ATOM 727 CB ASP A 47 6.478 -1.605 7.727 1.00 5.34 C ATOM 728 CG ASP A 47 7.976 -1.405 7.875 1.00 4.24 C ATOM 729 OD1 ASP A 47 8.659 -2.318 8.389 1.00 3.40 O ATOM 730 OD2 ASP A 47 8.478 -0.333 7.482 1.00 41.01 O ATOM 0 H ASP A 47 6.807 -0.846 5.365 1.00 13.13 H new ATOM 0 HA ASP A 47 6.620 -3.447 6.611 1.00 63.22 H new ATOM 0 HB2 ASP A 47 5.991 -0.635 7.626 1.00 5.34 H new ATOM 0 HB3 ASP A 47 6.083 -2.067 8.632 1.00 5.34 H new ATOM 735 N GLY A 48 3.970 -2.360 5.361 1.00 55.34 N ATOM 736 CA GLY A 48 2.543 -2.637 5.181 1.00 52.11 C ATOM 737 C GLY A 48 1.610 -1.717 5.971 1.00 63.23 C ATOM 738 O GLY A 48 0.418 -1.631 5.667 1.00 3.54 O ATOM 0 H GLY A 48 4.409 -1.868 4.582 1.00 55.34 H new ATOM 0 HA2 GLY A 48 2.301 -2.554 4.121 1.00 52.11 H new ATOM 0 HA3 GLY A 48 2.347 -3.669 5.473 1.00 52.11 H new ATOM 742 N VAL A 49 2.145 -1.021 6.971 1.00 31.30 N ATOM 743 CA VAL A 49 1.341 -0.159 7.851 1.00 33.43 C ATOM 744 C VAL A 49 0.556 0.899 7.052 1.00 52.31 C ATOM 745 O VAL A 49 -0.643 1.097 7.271 1.00 32.01 O ATOM 746 CB VAL A 49 2.233 0.549 8.903 1.00 64.34 C ATOM 747 CG1 VAL A 49 1.390 1.386 9.865 1.00 61.13 C ATOM 748 CG2 VAL A 49 3.077 -0.472 9.666 1.00 1.51 C ATOM 0 H VAL A 49 3.139 -1.034 7.198 1.00 31.30 H new ATOM 0 HA VAL A 49 0.628 -0.807 8.361 1.00 33.43 H new ATOM 0 HB VAL A 49 2.906 1.225 8.376 1.00 64.34 H new ATOM 0 HG11 VAL A 49 2.041 1.871 10.592 1.00 61.13 H new ATOM 0 HG12 VAL A 49 0.844 2.144 9.304 1.00 61.13 H new ATOM 0 HG13 VAL A 49 0.683 0.740 10.386 1.00 61.13 H new ATOM 0 HG21 VAL A 49 3.696 0.044 10.400 1.00 1.51 H new ATOM 0 HG22 VAL A 49 2.421 -1.177 10.176 1.00 1.51 H new ATOM 0 HG23 VAL A 49 3.716 -1.011 8.967 1.00 1.51 H new ATOM 758 N VAL A 50 1.238 1.574 6.125 1.00 12.11 N ATOM 759 CA VAL A 50 0.588 2.566 5.258 1.00 12.24 C ATOM 760 C VAL A 50 -0.488 1.907 4.372 1.00 53.30 C ATOM 761 O VAL A 50 -1.548 2.485 4.129 1.00 31.15 O ATOM 762 CB VAL A 50 1.617 3.308 4.361 1.00 14.51 C ATOM 763 CG1 VAL A 50 0.921 4.342 3.474 1.00 72.23 C ATOM 764 CG2 VAL A 50 2.703 3.971 5.212 1.00 33.04 C ATOM 0 H VAL A 50 2.236 1.455 5.953 1.00 12.11 H new ATOM 0 HA VAL A 50 0.113 3.296 5.914 1.00 12.24 H new ATOM 0 HB VAL A 50 2.093 2.571 3.715 1.00 14.51 H new ATOM 0 HG11 VAL A 50 1.662 4.848 2.855 1.00 72.23 H new ATOM 0 HG12 VAL A 50 0.194 3.842 2.834 1.00 72.23 H new ATOM 0 HG13 VAL A 50 0.410 5.074 4.100 1.00 72.23 H new ATOM 0 HG21 VAL A 50 3.412 4.484 4.562 1.00 33.04 H new ATOM 0 HG22 VAL A 50 2.245 4.691 5.890 1.00 33.04 H new ATOM 0 HG23 VAL A 50 3.227 3.210 5.791 1.00 33.04 H new ATOM 774 N LEU A 51 -0.214 0.682 3.915 1.00 13.21 N ATOM 775 CA LEU A 51 -1.156 -0.065 3.071 1.00 2.23 C ATOM 776 C LEU A 51 -2.473 -0.352 3.809 1.00 34.13 C ATOM 777 O LEU A 51 -3.557 -0.066 3.300 1.00 11.12 O ATOM 778 CB LEU A 51 -0.529 -1.389 2.613 1.00 43.34 C ATOM 779 CG LEU A 51 0.689 -1.269 1.682 1.00 35.24 C ATOM 780 CD1 LEU A 51 1.264 -2.648 1.377 1.00 54.20 C ATOM 781 CD2 LEU A 51 0.311 -0.545 0.389 1.00 32.10 C ATOM 0 H LEU A 51 0.654 0.184 4.115 1.00 13.21 H new ATOM 0 HA LEU A 51 -1.377 0.556 2.203 1.00 2.23 H new ATOM 0 HB2 LEU A 51 -0.232 -1.953 3.497 1.00 43.34 H new ATOM 0 HB3 LEU A 51 -1.295 -1.974 2.104 1.00 43.34 H new ATOM 0 HG LEU A 51 1.454 -0.681 2.190 1.00 35.24 H new ATOM 0 HD11 LEU A 51 2.125 -2.545 0.717 1.00 54.20 H new ATOM 0 HD12 LEU A 51 1.574 -3.127 2.306 1.00 54.20 H new ATOM 0 HD13 LEU A 51 0.504 -3.259 0.890 1.00 54.20 H new ATOM 0 HD21 LEU A 51 1.187 -0.471 -0.256 1.00 32.10 H new ATOM 0 HD22 LEU A 51 -0.472 -1.103 -0.125 1.00 32.10 H new ATOM 0 HD23 LEU A 51 -0.052 0.455 0.625 1.00 32.10 H new ATOM 793 N CYS A 52 -2.368 -0.924 5.007 1.00 25.53 N ATOM 794 CA CYS A 52 -3.551 -1.243 5.819 1.00 51.51 C ATOM 795 C CYS A 52 -4.422 0.001 6.041 1.00 50.53 C ATOM 796 O CYS A 52 -5.631 -0.027 5.823 1.00 52.23 O ATOM 797 CB CYS A 52 -3.133 -1.827 7.174 1.00 1.33 C ATOM 798 SG CYS A 52 -2.067 -3.283 7.057 1.00 55.51 S ATOM 0 H CYS A 52 -1.480 -1.177 5.440 1.00 25.53 H new ATOM 0 HA CYS A 52 -4.135 -1.984 5.274 1.00 51.51 H new ATOM 0 HB2 CYS A 52 -2.615 -1.056 7.745 1.00 1.33 H new ATOM 0 HB3 CYS A 52 -4.029 -2.091 7.735 1.00 1.33 H new ATOM 0 HG CYS A 52 -2.275 -3.883 5.922 1.00 55.51 H new ATOM 804 N ARG A 53 -3.790 1.093 6.466 1.00 5.13 N ATOM 805 CA ARG A 53 -4.493 2.361 6.689 1.00 43.44 C ATOM 806 C ARG A 53 -5.090 2.909 5.380 1.00 34.50 C ATOM 807 O ARG A 53 -6.175 3.495 5.373 1.00 53.21 O ATOM 808 CB ARG A 53 -3.536 3.385 7.315 1.00 14.31 C ATOM 809 CG ARG A 53 -3.007 2.957 8.679 1.00 11.30 C ATOM 810 CD ARG A 53 -1.994 3.947 9.241 1.00 42.11 C ATOM 811 NE ARG A 53 -1.539 3.561 10.576 1.00 13.44 N ATOM 812 CZ ARG A 53 -0.612 4.187 11.248 1.00 5.24 C ATOM 813 NH1 ARG A 53 0.011 5.195 10.728 1.00 42.01 N ATOM 814 NH2 ARG A 53 -0.301 3.793 12.438 1.00 25.31 N ATOM 0 H ARG A 53 -2.790 1.128 6.664 1.00 5.13 H new ATOM 0 HA ARG A 53 -5.319 2.178 7.376 1.00 43.44 H new ATOM 0 HB2 ARG A 53 -2.695 3.546 6.641 1.00 14.31 H new ATOM 0 HB3 ARG A 53 -4.051 4.340 7.416 1.00 14.31 H new ATOM 0 HG2 ARG A 53 -3.840 2.858 9.375 1.00 11.30 H new ATOM 0 HG3 ARG A 53 -2.543 1.974 8.595 1.00 11.30 H new ATOM 0 HD2 ARG A 53 -1.138 4.011 8.570 1.00 42.11 H new ATOM 0 HD3 ARG A 53 -2.441 4.940 9.283 1.00 42.11 H new ATOM 0 HE ARG A 53 -1.975 2.748 11.011 1.00 13.44 H new ATOM 0 HH11 ARG A 53 -0.221 5.507 9.785 1.00 42.01 H new ATOM 0 HH12 ARG A 53 0.734 5.678 11.261 1.00 42.01 H new ATOM 0 HH21 ARG A 53 -0.780 2.993 12.852 1.00 25.31 H new ATOM 0 HH22 ARG A 53 0.423 4.282 12.964 1.00 25.31 H new ATOM 828 N LEU A 54 -4.369 2.713 4.277 1.00 73.31 N ATOM 829 CA LEU A 54 -4.856 3.087 2.945 1.00 22.55 C ATOM 830 C LEU A 54 -6.169 2.361 2.616 1.00 64.44 C ATOM 831 O LEU A 54 -7.141 2.976 2.167 1.00 71.44 O ATOM 832 CB LEU A 54 -3.785 2.759 1.895 1.00 4.31 C ATOM 833 CG LEU A 54 -4.156 3.063 0.436 1.00 43.44 C ATOM 834 CD1 LEU A 54 -4.458 4.548 0.244 1.00 2.35 C ATOM 835 CD2 LEU A 54 -3.037 2.611 -0.500 1.00 54.05 C ATOM 0 H LEU A 54 -3.439 2.295 4.278 1.00 73.31 H new ATOM 0 HA LEU A 54 -5.055 4.159 2.934 1.00 22.55 H new ATOM 0 HB2 LEU A 54 -2.880 3.314 2.142 1.00 4.31 H new ATOM 0 HB3 LEU A 54 -3.540 1.700 1.974 1.00 4.31 H new ATOM 0 HG LEU A 54 -5.060 2.506 0.190 1.00 43.44 H new ATOM 0 HD11 LEU A 54 -4.718 4.735 -0.798 1.00 2.35 H new ATOM 0 HD12 LEU A 54 -5.293 4.835 0.883 1.00 2.35 H new ATOM 0 HD13 LEU A 54 -3.579 5.135 0.510 1.00 2.35 H new ATOM 0 HD21 LEU A 54 -3.313 2.832 -1.531 1.00 54.05 H new ATOM 0 HD22 LEU A 54 -2.117 3.139 -0.249 1.00 54.05 H new ATOM 0 HD23 LEU A 54 -2.881 1.538 -0.389 1.00 54.05 H new ATOM 847 N LEU A 55 -6.196 1.052 2.861 1.00 60.10 N ATOM 848 CA LEU A 55 -7.397 0.247 2.625 1.00 4.22 C ATOM 849 C LEU A 55 -8.544 0.666 3.563 1.00 11.35 C ATOM 850 O LEU A 55 -9.710 0.612 3.184 1.00 51.32 O ATOM 851 CB LEU A 55 -7.081 -1.245 2.806 1.00 71.31 C ATOM 852 CG LEU A 55 -8.226 -2.212 2.456 1.00 74.15 C ATOM 853 CD1 LEU A 55 -8.680 -2.023 1.010 1.00 64.34 C ATOM 854 CD2 LEU A 55 -7.808 -3.659 2.704 1.00 63.02 C ATOM 0 H LEU A 55 -5.401 0.525 3.223 1.00 60.10 H new ATOM 0 HA LEU A 55 -7.721 0.420 1.599 1.00 4.22 H new ATOM 0 HB2 LEU A 55 -6.218 -1.493 2.189 1.00 71.31 H new ATOM 0 HB3 LEU A 55 -6.790 -1.414 3.843 1.00 71.31 H new ATOM 0 HG LEU A 55 -9.069 -1.983 3.108 1.00 74.15 H new ATOM 0 HD11 LEU A 55 -9.490 -2.718 0.789 1.00 64.34 H new ATOM 0 HD12 LEU A 55 -9.031 -1.001 0.870 1.00 64.34 H new ATOM 0 HD13 LEU A 55 -7.843 -2.215 0.338 1.00 64.34 H new ATOM 0 HD21 LEU A 55 -8.633 -4.325 2.450 1.00 63.02 H new ATOM 0 HD22 LEU A 55 -6.944 -3.899 2.085 1.00 63.02 H new ATOM 0 HD23 LEU A 55 -7.548 -3.788 3.755 1.00 63.02 H new ATOM 866 N GLU A 56 -8.205 1.091 4.782 1.00 32.12 N ATOM 867 CA GLU A 56 -9.207 1.569 5.751 1.00 43.43 C ATOM 868 C GLU A 56 -9.819 2.918 5.335 1.00 52.11 C ATOM 869 O GLU A 56 -10.945 3.236 5.714 1.00 21.25 O ATOM 870 CB GLU A 56 -8.588 1.682 7.155 1.00 44.20 C ATOM 871 CG GLU A 56 -8.256 0.337 7.793 1.00 32.51 C ATOM 872 CD GLU A 56 -9.492 -0.522 8.031 1.00 51.41 C ATOM 873 OE1 GLU A 56 -10.101 -0.414 9.118 1.00 41.32 O ATOM 874 OE2 GLU A 56 -9.862 -1.307 7.137 1.00 64.50 O ATOM 0 H GLU A 56 -7.245 1.116 5.126 1.00 32.12 H new ATOM 0 HA GLU A 56 -10.011 0.834 5.769 1.00 43.43 H new ATOM 0 HB2 GLU A 56 -7.678 2.279 7.093 1.00 44.20 H new ATOM 0 HB3 GLU A 56 -9.279 2.220 7.804 1.00 44.20 H new ATOM 0 HG2 GLU A 56 -7.561 -0.204 7.150 1.00 32.51 H new ATOM 0 HG3 GLU A 56 -7.747 0.505 8.742 1.00 32.51 H new ATOM 881 N ARG A 57 -9.073 3.718 4.574 1.00 34.32 N ATOM 882 CA ARG A 57 -9.601 4.984 4.042 1.00 72.33 C ATOM 883 C ARG A 57 -10.688 4.734 2.985 1.00 44.15 C ATOM 884 O ARG A 57 -11.683 5.455 2.915 1.00 33.44 O ATOM 885 CB ARG A 57 -8.471 5.826 3.426 1.00 71.43 C ATOM 886 CG ARG A 57 -7.432 6.311 4.432 1.00 34.21 C ATOM 887 CD ARG A 57 -8.036 7.275 5.449 1.00 53.02 C ATOM 888 NE ARG A 57 -7.031 7.793 6.377 1.00 14.11 N ATOM 889 CZ ARG A 57 -7.191 8.858 7.117 1.00 4.23 C ATOM 890 NH1 ARG A 57 -8.291 9.540 7.069 1.00 63.32 N ATOM 891 NH2 ARG A 57 -6.245 9.234 7.909 1.00 62.54 N ATOM 0 H ARG A 57 -8.108 3.519 4.311 1.00 34.32 H new ATOM 0 HA ARG A 57 -10.044 5.529 4.875 1.00 72.33 H new ATOM 0 HB2 ARG A 57 -7.970 5.235 2.659 1.00 71.43 H new ATOM 0 HB3 ARG A 57 -8.908 6.691 2.927 1.00 71.43 H new ATOM 0 HG2 ARG A 57 -7.003 5.455 4.953 1.00 34.21 H new ATOM 0 HG3 ARG A 57 -6.616 6.804 3.903 1.00 34.21 H new ATOM 0 HD2 ARG A 57 -8.508 8.106 4.925 1.00 53.02 H new ATOM 0 HD3 ARG A 57 -8.820 6.766 6.010 1.00 53.02 H new ATOM 0 HE ARG A 57 -6.147 7.290 6.451 1.00 14.11 H new ATOM 0 HH11 ARG A 57 -9.046 9.248 6.448 1.00 63.32 H new ATOM 0 HH12 ARG A 57 -8.403 10.369 7.652 1.00 63.32 H new ATOM 0 HH21 ARG A 57 -5.377 8.701 7.956 1.00 62.54 H new ATOM 0 HH22 ARG A 57 -6.365 10.065 8.489 1.00 62.54 H new ATOM 905 N LEU A 58 -10.480 3.710 2.165 1.00 43.52 N ATOM 906 CA LEU A 58 -11.411 3.364 1.084 1.00 12.15 C ATOM 907 C LEU A 58 -12.530 2.426 1.581 1.00 62.04 C ATOM 908 O LEU A 58 -13.695 2.563 1.203 1.00 60.32 O ATOM 909 CB LEU A 58 -10.626 2.701 -0.056 1.00 54.45 C ATOM 910 CG LEU A 58 -9.430 3.520 -0.579 1.00 5.14 C ATOM 911 CD1 LEU A 58 -8.636 2.734 -1.615 1.00 63.01 C ATOM 912 CD2 LEU A 58 -9.901 4.854 -1.156 1.00 34.51 C ATOM 0 H LEU A 58 -9.668 3.096 2.225 1.00 43.52 H new ATOM 0 HA LEU A 58 -11.888 4.276 0.726 1.00 12.15 H new ATOM 0 HB2 LEU A 58 -10.263 1.732 0.287 1.00 54.45 H new ATOM 0 HB3 LEU A 58 -11.308 2.510 -0.885 1.00 54.45 H new ATOM 0 HG LEU A 58 -8.769 3.724 0.263 1.00 5.14 H new ATOM 0 HD11 LEU A 58 -7.799 3.337 -1.966 1.00 63.01 H new ATOM 0 HD12 LEU A 58 -8.258 1.816 -1.164 1.00 63.01 H new ATOM 0 HD13 LEU A 58 -9.282 2.486 -2.457 1.00 63.01 H new ATOM 0 HD21 LEU A 58 -9.041 5.417 -1.520 1.00 34.51 H new ATOM 0 HD22 LEU A 58 -10.590 4.671 -1.980 1.00 34.51 H new ATOM 0 HD23 LEU A 58 -10.408 5.427 -0.380 1.00 34.51 H new ATOM 924 N LEU A 59 -12.159 1.478 2.437 1.00 72.55 N ATOM 925 CA LEU A 59 -13.102 0.506 3.010 1.00 3.31 C ATOM 926 C LEU A 59 -12.922 0.397 4.538 1.00 3.03 C ATOM 927 O LEU A 59 -12.322 -0.559 5.030 1.00 35.53 O ATOM 928 CB LEU A 59 -12.902 -0.880 2.369 1.00 63.53 C ATOM 929 CG LEU A 59 -13.149 -0.963 0.853 1.00 23.12 C ATOM 930 CD1 LEU A 59 -12.743 -2.334 0.318 1.00 45.11 C ATOM 931 CD2 LEU A 59 -14.612 -0.673 0.525 1.00 40.04 C ATOM 0 H LEU A 59 -11.198 1.357 2.757 1.00 72.55 H new ATOM 0 HA LEU A 59 -14.112 0.858 2.800 1.00 3.31 H new ATOM 0 HB2 LEU A 59 -11.882 -1.207 2.569 1.00 63.53 H new ATOM 0 HB3 LEU A 59 -13.567 -1.587 2.865 1.00 63.53 H new ATOM 0 HG LEU A 59 -12.534 -0.206 0.367 1.00 23.12 H new ATOM 0 HD11 LEU A 59 -12.925 -2.374 -0.756 1.00 45.11 H new ATOM 0 HD12 LEU A 59 -11.684 -2.502 0.513 1.00 45.11 H new ATOM 0 HD13 LEU A 59 -13.330 -3.107 0.814 1.00 45.11 H new ATOM 0 HD21 LEU A 59 -14.763 -0.737 -0.553 1.00 40.04 H new ATOM 0 HD22 LEU A 59 -15.249 -1.403 1.025 1.00 40.04 H new ATOM 0 HD23 LEU A 59 -14.870 0.329 0.868 1.00 40.04 H new ATOM 943 N PRO A 60 -13.428 1.383 5.309 1.00 34.11 N ATOM 944 CA PRO A 60 -13.290 1.397 6.781 1.00 44.11 C ATOM 945 C PRO A 60 -13.805 0.113 7.457 1.00 21.22 C ATOM 946 O PRO A 60 -14.938 -0.325 7.217 1.00 65.11 O ATOM 947 CB PRO A 60 -14.141 2.606 7.205 1.00 25.11 C ATOM 948 CG PRO A 60 -14.162 3.493 6.006 1.00 13.40 C ATOM 949 CD PRO A 60 -14.155 2.569 4.815 1.00 42.14 C ATOM 0 HA PRO A 60 -12.244 1.458 7.081 1.00 44.11 H new ATOM 0 HB2 PRO A 60 -15.148 2.301 7.490 1.00 25.11 H new ATOM 0 HB3 PRO A 60 -13.706 3.114 8.066 1.00 25.11 H new ATOM 0 HG2 PRO A 60 -15.048 4.128 6.004 1.00 13.40 H new ATOM 0 HG3 PRO A 60 -13.296 4.155 5.993 1.00 13.40 H new ATOM 0 HD2 PRO A 60 -15.166 2.317 4.496 1.00 42.14 H new ATOM 0 HD3 PRO A 60 -13.654 3.020 3.959 1.00 42.14 H new ATOM 957 N GLY A 61 -12.962 -0.496 8.290 1.00 43.40 N ATOM 958 CA GLY A 61 -13.368 -1.671 9.053 1.00 54.24 C ATOM 959 C GLY A 61 -13.071 -2.992 8.352 1.00 40.32 C ATOM 960 O GLY A 61 -13.717 -4.005 8.630 1.00 51.12 O ATOM 0 H GLY A 61 -12.001 -0.196 8.452 1.00 43.40 H new ATOM 0 HA2 GLY A 61 -12.860 -1.660 10.017 1.00 54.24 H new ATOM 0 HA3 GLY A 61 -14.437 -1.610 9.255 1.00 54.24 H new ATOM 964 N THR A 62 -12.099 -2.987 7.445 1.00 24.33 N ATOM 965 CA THR A 62 -11.690 -4.208 6.737 1.00 54.14 C ATOM 966 C THR A 62 -10.506 -4.886 7.442 1.00 44.32 C ATOM 967 O THR A 62 -10.509 -6.102 7.660 1.00 64.21 O ATOM 968 CB THR A 62 -11.306 -3.912 5.265 1.00 32.22 C ATOM 969 OG1 THR A 62 -12.408 -3.294 4.581 1.00 61.22 O ATOM 970 CG2 THR A 62 -10.914 -5.190 4.530 1.00 42.25 C ATOM 0 H THR A 62 -11.576 -2.153 7.179 1.00 24.33 H new ATOM 0 HA THR A 62 -12.548 -4.880 6.747 1.00 54.14 H new ATOM 0 HB THR A 62 -10.451 -3.236 5.274 1.00 32.22 H new ATOM 0 HG1 THR A 62 -12.397 -2.328 4.748 1.00 61.22 H new ATOM 0 HG21 THR A 62 -10.650 -4.951 3.500 1.00 42.25 H new ATOM 0 HG22 THR A 62 -10.059 -5.648 5.027 1.00 42.25 H new ATOM 0 HG23 THR A 62 -11.753 -5.886 4.537 1.00 42.25 H new ATOM 978 N ILE A 63 -9.498 -4.093 7.803 1.00 74.13 N ATOM 979 CA ILE A 63 -8.310 -4.604 8.494 1.00 64.53 C ATOM 980 C ILE A 63 -8.619 -4.937 9.966 1.00 21.40 C ATOM 981 O ILE A 63 -8.667 -4.047 10.822 1.00 0.53 O ATOM 982 CB ILE A 63 -7.143 -3.585 8.427 1.00 23.03 C ATOM 983 CG1 ILE A 63 -6.846 -3.195 6.967 1.00 42.14 C ATOM 984 CG2 ILE A 63 -5.889 -4.151 9.097 1.00 4.21 C ATOM 985 CD1 ILE A 63 -6.407 -4.352 6.091 1.00 10.44 C ATOM 0 H ILE A 63 -9.479 -3.088 7.628 1.00 74.13 H new ATOM 0 HA ILE A 63 -8.011 -5.519 7.983 1.00 64.53 H new ATOM 0 HB ILE A 63 -7.444 -2.688 8.968 1.00 23.03 H new ATOM 0 HG12 ILE A 63 -7.739 -2.745 6.534 1.00 42.14 H new ATOM 0 HG13 ILE A 63 -6.068 -2.432 6.958 1.00 42.14 H new ATOM 0 HG21 ILE A 63 -5.083 -3.419 9.038 1.00 4.21 H new ATOM 0 HG22 ILE A 63 -6.103 -4.371 10.143 1.00 4.21 H new ATOM 0 HG23 ILE A 63 -5.586 -5.066 8.588 1.00 4.21 H new ATOM 0 HD11 ILE A 63 -6.218 -3.992 5.080 1.00 10.44 H new ATOM 0 HD12 ILE A 63 -5.495 -4.790 6.496 1.00 10.44 H new ATOM 0 HD13 ILE A 63 -7.192 -5.108 6.066 1.00 10.44 H new ATOM 997 N GLU A 64 -8.836 -6.222 10.246 1.00 11.21 N ATOM 998 CA GLU A 64 -9.160 -6.691 11.600 1.00 24.31 C ATOM 999 C GLU A 64 -8.034 -6.373 12.603 1.00 0.32 C ATOM 1000 O GLU A 64 -8.293 -5.990 13.745 1.00 54.44 O ATOM 1001 CB GLU A 64 -9.434 -8.202 11.573 1.00 72.42 C ATOM 1002 CG GLU A 64 -9.852 -8.782 12.919 1.00 15.34 C ATOM 1003 CD GLU A 64 -10.114 -10.280 12.859 1.00 61.12 C ATOM 1004 OE1 GLU A 64 -11.198 -10.681 12.387 1.00 43.23 O ATOM 1005 OE2 GLU A 64 -9.234 -11.064 13.280 1.00 65.21 O ATOM 0 H GLU A 64 -8.793 -6.965 9.549 1.00 11.21 H new ATOM 0 HA GLU A 64 -10.053 -6.162 11.933 1.00 24.31 H new ATOM 0 HB2 GLU A 64 -10.217 -8.406 10.843 1.00 72.42 H new ATOM 0 HB3 GLU A 64 -8.537 -8.717 11.230 1.00 72.42 H new ATOM 0 HG2 GLU A 64 -9.071 -8.583 13.653 1.00 15.34 H new ATOM 0 HG3 GLU A 64 -10.752 -8.274 13.265 1.00 15.34 H new ATOM 1012 N LYS A 65 -6.788 -6.531 12.165 1.00 70.51 N ATOM 1013 CA LYS A 65 -5.622 -6.266 13.015 1.00 40.13 C ATOM 1014 C LYS A 65 -4.421 -5.802 12.173 1.00 2.41 C ATOM 1015 O LYS A 65 -4.113 -6.402 11.143 1.00 63.32 O ATOM 1016 CB LYS A 65 -5.243 -7.532 13.802 1.00 51.13 C ATOM 1017 CG LYS A 65 -4.039 -7.349 14.728 1.00 11.20 C ATOM 1018 CD LYS A 65 -3.548 -8.675 15.303 1.00 45.30 C ATOM 1019 CE LYS A 65 -2.355 -8.479 16.234 1.00 5.12 C ATOM 1020 NZ LYS A 65 -1.736 -9.773 16.628 1.00 71.33 N ATOM 0 H LYS A 65 -6.555 -6.843 11.222 1.00 70.51 H new ATOM 0 HA LYS A 65 -5.885 -5.470 13.712 1.00 40.13 H new ATOM 0 HB2 LYS A 65 -6.100 -7.849 14.395 1.00 51.13 H new ATOM 0 HB3 LYS A 65 -5.028 -8.335 13.097 1.00 51.13 H new ATOM 0 HG2 LYS A 65 -3.229 -6.871 14.178 1.00 11.20 H new ATOM 0 HG3 LYS A 65 -4.309 -6.679 15.544 1.00 11.20 H new ATOM 0 HD2 LYS A 65 -4.359 -9.158 15.848 1.00 45.30 H new ATOM 0 HD3 LYS A 65 -3.268 -9.343 14.489 1.00 45.30 H new ATOM 0 HE2 LYS A 65 -1.609 -7.856 15.741 1.00 5.12 H new ATOM 0 HE3 LYS A 65 -2.677 -7.944 17.128 1.00 5.12 H new ATOM 0 HZ1 LYS A 65 -1.259 -9.664 17.546 1.00 71.33 H new ATOM 0 HZ2 LYS A 65 -2.474 -10.501 16.706 1.00 71.33 H new ATOM 0 HZ3 LYS A 65 -1.042 -10.059 15.908 1.00 71.33 H new ATOM 1034 N VAL A 66 -3.755 -4.735 12.607 1.00 72.30 N ATOM 1035 CA VAL A 66 -2.537 -4.257 11.940 1.00 22.21 C ATOM 1036 C VAL A 66 -1.450 -3.899 12.965 1.00 61.53 C ATOM 1037 O VAL A 66 -1.735 -3.328 14.020 1.00 12.11 O ATOM 1038 CB VAL A 66 -2.817 -3.025 11.037 1.00 13.04 C ATOM 1039 CG1 VAL A 66 -3.357 -1.856 11.858 1.00 74.32 C ATOM 1040 CG2 VAL A 66 -1.558 -2.613 10.270 1.00 44.54 C ATOM 0 H VAL A 66 -4.035 -4.182 13.417 1.00 72.30 H new ATOM 0 HA VAL A 66 -2.185 -5.074 11.311 1.00 22.21 H new ATOM 0 HB VAL A 66 -3.579 -3.308 10.311 1.00 13.04 H new ATOM 0 HG11 VAL A 66 -3.545 -1.006 11.202 1.00 74.32 H new ATOM 0 HG12 VAL A 66 -4.287 -2.151 12.344 1.00 74.32 H new ATOM 0 HG13 VAL A 66 -2.625 -1.575 12.615 1.00 74.32 H new ATOM 0 HG21 VAL A 66 -1.780 -1.748 9.645 1.00 44.54 H new ATOM 0 HG22 VAL A 66 -0.769 -2.357 10.977 1.00 44.54 H new ATOM 0 HG23 VAL A 66 -1.228 -3.440 9.641 1.00 44.54 H new ATOM 1050 N TYR A 67 -0.209 -4.254 12.648 1.00 42.45 N ATOM 1051 CA TYR A 67 0.937 -3.957 13.510 1.00 51.20 C ATOM 1052 C TYR A 67 1.554 -2.592 13.151 1.00 54.45 C ATOM 1053 O TYR A 67 2.262 -2.473 12.149 1.00 64.25 O ATOM 1054 CB TYR A 67 1.998 -5.062 13.375 1.00 22.33 C ATOM 1055 CG TYR A 67 1.469 -6.455 13.669 1.00 23.13 C ATOM 1056 CD1 TYR A 67 0.822 -7.198 12.684 1.00 31.03 C ATOM 1057 CD2 TYR A 67 1.609 -7.025 14.930 1.00 10.24 C ATOM 1058 CE1 TYR A 67 0.330 -8.462 12.950 1.00 42.54 C ATOM 1059 CE2 TYR A 67 1.122 -8.290 15.201 1.00 21.12 C ATOM 1060 CZ TYR A 67 0.483 -9.004 14.209 1.00 21.10 C ATOM 1061 OH TYR A 67 -0.015 -10.259 14.484 1.00 34.53 O ATOM 0 H TYR A 67 0.033 -4.753 11.792 1.00 42.45 H new ATOM 0 HA TYR A 67 0.588 -3.917 14.542 1.00 51.20 H new ATOM 0 HB2 TYR A 67 2.403 -5.043 12.363 1.00 22.33 H new ATOM 0 HB3 TYR A 67 2.823 -4.846 14.053 1.00 22.33 H new ATOM 0 HD1 TYR A 67 0.703 -6.779 11.696 1.00 31.03 H new ATOM 0 HD2 TYR A 67 2.107 -6.470 15.711 1.00 10.24 H new ATOM 0 HE1 TYR A 67 -0.172 -9.023 12.175 1.00 42.54 H new ATOM 0 HE2 TYR A 67 1.241 -8.718 16.186 1.00 21.12 H new ATOM 0 HH TYR A 67 0.682 -10.802 14.907 1.00 34.53 H new ATOM 1071 N PRO A 68 1.303 -1.544 13.966 1.00 3.32 N ATOM 1072 CA PRO A 68 1.842 -0.198 13.709 1.00 43.34 C ATOM 1073 C PRO A 68 3.339 -0.109 14.033 1.00 3.40 C ATOM 1074 O PRO A 68 3.999 0.897 13.759 1.00 44.35 O ATOM 1075 CB PRO A 68 1.014 0.694 14.642 1.00 72.21 C ATOM 1076 CG PRO A 68 0.629 -0.197 15.777 1.00 53.20 C ATOM 1077 CD PRO A 68 0.495 -1.588 15.203 1.00 63.40 C ATOM 0 HA PRO A 68 1.768 0.091 12.661 1.00 43.34 H new ATOM 0 HB2 PRO A 68 1.594 1.549 14.989 1.00 72.21 H new ATOM 0 HB3 PRO A 68 0.135 1.090 14.134 1.00 72.21 H new ATOM 0 HG2 PRO A 68 1.384 -0.173 16.563 1.00 53.20 H new ATOM 0 HG3 PRO A 68 -0.309 0.130 16.226 1.00 53.20 H new ATOM 0 HD2 PRO A 68 0.867 -2.343 15.896 1.00 63.40 H new ATOM 0 HD3 PRO A 68 -0.546 -1.834 14.991 1.00 63.40 H new ATOM 1085 N GLU A 69 3.858 -1.177 14.632 1.00 24.02 N ATOM 1086 CA GLU A 69 5.283 -1.309 14.932 1.00 4.11 C ATOM 1087 C GLU A 69 5.746 -2.763 14.711 1.00 12.35 C ATOM 1088 O GLU A 69 5.972 -3.518 15.661 1.00 55.25 O ATOM 1089 CB GLU A 69 5.563 -0.846 16.371 1.00 51.22 C ATOM 1090 CG GLU A 69 4.614 -1.443 17.404 1.00 43.21 C ATOM 1091 CD GLU A 69 4.866 -0.911 18.803 1.00 4.21 C ATOM 1092 OE1 GLU A 69 4.382 0.196 19.117 1.00 70.32 O ATOM 1093 OE2 GLU A 69 5.552 -1.593 19.593 1.00 22.42 O ATOM 0 H GLU A 69 3.301 -1.980 14.925 1.00 24.02 H new ATOM 0 HA GLU A 69 5.851 -0.672 14.254 1.00 4.11 H new ATOM 0 HB2 GLU A 69 6.587 -1.111 16.636 1.00 51.22 H new ATOM 0 HB3 GLU A 69 5.494 0.241 16.413 1.00 51.22 H new ATOM 0 HG2 GLU A 69 3.586 -1.225 17.116 1.00 43.21 H new ATOM 0 HG3 GLU A 69 4.721 -2.528 17.407 1.00 43.21 H new ATOM 1100 N PRO A 70 5.860 -3.187 13.438 1.00 12.03 N ATOM 1101 CA PRO A 70 6.284 -4.551 13.099 1.00 50.42 C ATOM 1102 C PRO A 70 7.794 -4.759 13.302 1.00 30.40 C ATOM 1103 O PRO A 70 8.617 -4.221 12.558 1.00 41.35 O ATOM 1104 CB PRO A 70 5.894 -4.680 11.623 1.00 62.22 C ATOM 1105 CG PRO A 70 5.957 -3.287 11.089 1.00 5.33 C ATOM 1106 CD PRO A 70 5.585 -2.375 12.233 1.00 64.14 C ATOM 0 HA PRO A 70 5.819 -5.304 13.736 1.00 50.42 H new ATOM 0 HB2 PRO A 70 6.578 -5.340 11.089 1.00 62.22 H new ATOM 0 HB3 PRO A 70 4.895 -5.101 11.513 1.00 62.22 H new ATOM 0 HG2 PRO A 70 6.956 -3.058 10.719 1.00 5.33 H new ATOM 0 HG3 PRO A 70 5.270 -3.160 10.252 1.00 5.33 H new ATOM 0 HD2 PRO A 70 6.178 -1.460 12.224 1.00 64.14 H new ATOM 0 HD3 PRO A 70 4.538 -2.077 12.182 1.00 64.14 H new ATOM 1114 N ARG A 71 8.145 -5.530 14.324 1.00 32.25 N ATOM 1115 CA ARG A 71 9.549 -5.779 14.662 1.00 72.11 C ATOM 1116 C ARG A 71 10.129 -6.882 13.770 1.00 44.01 C ATOM 1117 O ARG A 71 11.189 -6.723 13.159 1.00 45.43 O ATOM 1118 CB ARG A 71 9.670 -6.181 16.142 1.00 60.53 C ATOM 1119 CG ARG A 71 8.897 -5.272 17.098 1.00 63.23 C ATOM 1120 CD ARG A 71 9.357 -3.820 17.016 1.00 73.13 C ATOM 1121 NE ARG A 71 8.569 -2.952 17.887 1.00 52.34 N ATOM 1122 CZ ARG A 71 8.976 -1.798 18.342 1.00 23.55 C ATOM 1123 NH1 ARG A 71 10.151 -1.343 18.042 1.00 75.41 N ATOM 1124 NH2 ARG A 71 8.203 -1.098 19.103 1.00 32.32 N ATOM 0 H ARG A 71 7.477 -5.997 14.938 1.00 32.25 H new ATOM 0 HA ARG A 71 10.115 -4.863 14.493 1.00 72.11 H new ATOM 0 HB2 ARG A 71 9.312 -7.204 16.261 1.00 60.53 H new ATOM 0 HB3 ARG A 71 10.723 -6.177 16.424 1.00 60.53 H new ATOM 0 HG2 ARG A 71 7.833 -5.327 16.868 1.00 63.23 H new ATOM 0 HG3 ARG A 71 9.021 -5.633 18.119 1.00 63.23 H new ATOM 0 HD2 ARG A 71 10.409 -3.756 17.294 1.00 73.13 H new ATOM 0 HD3 ARG A 71 9.277 -3.471 15.986 1.00 73.13 H new ATOM 0 HE ARG A 71 7.638 -3.269 18.158 1.00 52.34 H new ATOM 0 HH11 ARG A 71 10.771 -1.888 17.443 1.00 75.41 H new ATOM 0 HH12 ARG A 71 10.456 -0.440 18.405 1.00 75.41 H new ATOM 0 HH21 ARG A 71 7.276 -1.447 19.348 1.00 32.32 H new ATOM 0 HH22 ARG A 71 8.519 -0.196 19.460 1.00 32.32 H new ATOM 1138 N SER A 72 9.408 -7.997 13.697 1.00 32.02 N ATOM 1139 CA SER A 72 9.813 -9.142 12.875 1.00 11.43 C ATOM 1140 C SER A 72 9.273 -9.007 11.445 1.00 34.01 C ATOM 1141 O SER A 72 8.155 -8.528 11.238 1.00 20.21 O ATOM 1142 CB SER A 72 9.298 -10.451 13.495 1.00 73.10 C ATOM 1143 OG SER A 72 9.797 -10.634 14.814 1.00 23.43 O ATOM 0 H SER A 72 8.532 -8.136 14.201 1.00 32.02 H new ATOM 0 HA SER A 72 10.902 -9.161 12.839 1.00 11.43 H new ATOM 0 HB2 SER A 72 8.208 -10.441 13.515 1.00 73.10 H new ATOM 0 HB3 SER A 72 9.598 -11.293 12.871 1.00 73.10 H new ATOM 0 HG SER A 72 9.450 -11.474 15.181 1.00 23.43 H new ATOM 1149 N GLU A 73 10.059 -9.455 10.467 1.00 72.20 N ATOM 1150 CA GLU A 73 9.670 -9.381 9.048 1.00 21.51 C ATOM 1151 C GLU A 73 8.265 -9.966 8.803 1.00 13.34 C ATOM 1152 O GLU A 73 7.490 -9.439 8.005 1.00 63.32 O ATOM 1153 CB GLU A 73 10.708 -10.110 8.171 1.00 33.33 C ATOM 1154 CG GLU A 73 10.733 -11.634 8.330 1.00 34.52 C ATOM 1155 CD GLU A 73 11.043 -12.094 9.750 1.00 32.03 C ATOM 1156 OE1 GLU A 73 12.195 -11.929 10.196 1.00 55.54 O ATOM 1157 OE2 GLU A 73 10.127 -12.610 10.429 1.00 50.22 O ATOM 0 H GLU A 73 10.974 -9.876 10.626 1.00 72.20 H new ATOM 0 HA GLU A 73 9.640 -8.327 8.773 1.00 21.51 H new ATOM 0 HB2 GLU A 73 10.510 -9.872 7.126 1.00 33.33 H new ATOM 0 HB3 GLU A 73 11.698 -9.719 8.405 1.00 33.33 H new ATOM 0 HG2 GLU A 73 9.767 -12.038 8.029 1.00 34.52 H new ATOM 0 HG3 GLU A 73 11.478 -12.050 7.651 1.00 34.52 H new ATOM 1164 N SER A 74 7.939 -11.045 9.515 1.00 53.45 N ATOM 1165 CA SER A 74 6.633 -11.707 9.387 1.00 40.54 C ATOM 1166 C SER A 74 5.474 -10.771 9.764 1.00 71.22 C ATOM 1167 O SER A 74 4.386 -10.860 9.194 1.00 10.34 O ATOM 1168 CB SER A 74 6.586 -12.969 10.260 1.00 70.10 C ATOM 1169 OG SER A 74 7.545 -13.930 9.834 1.00 34.00 O ATOM 0 H SER A 74 8.563 -11.484 10.191 1.00 53.45 H new ATOM 0 HA SER A 74 6.512 -11.983 8.339 1.00 40.54 H new ATOM 0 HB2 SER A 74 6.774 -12.701 11.300 1.00 70.10 H new ATOM 0 HB3 SER A 74 5.588 -13.405 10.218 1.00 70.10 H new ATOM 0 HG SER A 74 8.448 -13.582 9.989 1.00 34.00 H new ATOM 1175 N GLU A 75 5.709 -9.871 10.718 1.00 22.13 N ATOM 1176 CA GLU A 75 4.685 -8.906 11.135 1.00 51.44 C ATOM 1177 C GLU A 75 4.456 -7.850 10.043 1.00 4.42 C ATOM 1178 O GLU A 75 3.321 -7.473 9.758 1.00 75.14 O ATOM 1179 CB GLU A 75 5.084 -8.237 12.456 1.00 1.53 C ATOM 1180 CG GLU A 75 5.307 -9.224 13.599 1.00 52.31 C ATOM 1181 CD GLU A 75 5.662 -8.540 14.908 1.00 55.03 C ATOM 1182 OE1 GLU A 75 6.715 -7.874 14.966 1.00 14.15 O ATOM 1183 OE2 GLU A 75 4.888 -8.660 15.885 1.00 34.04 O ATOM 0 H GLU A 75 6.595 -9.788 11.217 1.00 22.13 H new ATOM 0 HA GLU A 75 3.750 -9.445 11.289 1.00 51.44 H new ATOM 0 HB2 GLU A 75 5.997 -7.662 12.301 1.00 1.53 H new ATOM 0 HB3 GLU A 75 4.306 -7.530 12.745 1.00 1.53 H new ATOM 0 HG2 GLU A 75 4.405 -9.820 13.739 1.00 52.31 H new ATOM 0 HG3 GLU A 75 6.106 -9.914 13.327 1.00 52.31 H new ATOM 1190 N CYS A 76 5.543 -7.387 9.428 1.00 74.25 N ATOM 1191 CA CYS A 76 5.455 -6.479 8.277 1.00 23.21 C ATOM 1192 C CYS A 76 4.681 -7.142 7.133 1.00 23.04 C ATOM 1193 O CYS A 76 3.751 -6.562 6.568 1.00 31.15 O ATOM 1194 CB CYS A 76 6.858 -6.093 7.796 1.00 52.02 C ATOM 1195 SG CYS A 76 7.902 -5.355 9.073 1.00 33.00 S ATOM 0 H CYS A 76 6.496 -7.623 9.704 1.00 74.25 H new ATOM 0 HA CYS A 76 4.925 -5.579 8.589 1.00 23.21 H new ATOM 0 HB2 CYS A 76 7.354 -6.982 7.406 1.00 52.02 H new ATOM 0 HB3 CYS A 76 6.765 -5.391 6.968 1.00 52.02 H new ATOM 0 HG CYS A 76 8.199 -4.134 8.739 1.00 33.00 H new ATOM 1201 N LEU A 77 5.075 -8.376 6.805 1.00 62.02 N ATOM 1202 CA LEU A 77 4.375 -9.181 5.799 1.00 2.34 C ATOM 1203 C LEU A 77 2.892 -9.347 6.160 1.00 65.43 C ATOM 1204 O LEU A 77 2.029 -9.326 5.286 1.00 41.42 O ATOM 1205 CB LEU A 77 5.035 -10.563 5.664 1.00 42.11 C ATOM 1206 CG LEU A 77 6.513 -10.554 5.244 1.00 52.43 C ATOM 1207 CD1 LEU A 77 7.068 -11.976 5.205 1.00 55.24 C ATOM 1208 CD2 LEU A 77 6.692 -9.867 3.893 1.00 62.30 C ATOM 0 H LEU A 77 5.880 -8.842 7.224 1.00 62.02 H new ATOM 0 HA LEU A 77 4.443 -8.657 4.846 1.00 2.34 H new ATOM 0 HB2 LEU A 77 4.950 -11.081 6.619 1.00 42.11 H new ATOM 0 HB3 LEU A 77 4.472 -11.145 4.934 1.00 42.11 H new ATOM 0 HG LEU A 77 7.074 -9.987 5.987 1.00 52.43 H new ATOM 0 HD11 LEU A 77 8.116 -11.950 4.906 1.00 55.24 H new ATOM 0 HD12 LEU A 77 6.985 -12.426 6.194 1.00 55.24 H new ATOM 0 HD13 LEU A 77 6.500 -12.569 4.487 1.00 55.24 H new ATOM 0 HD21 LEU A 77 7.747 -9.874 3.618 1.00 62.30 H new ATOM 0 HD22 LEU A 77 6.116 -10.399 3.135 1.00 62.30 H new ATOM 0 HD23 LEU A 77 6.341 -8.837 3.959 1.00 62.30 H new ATOM 1220 N SER A 78 2.612 -9.511 7.455 1.00 14.25 N ATOM 1221 CA SER A 78 1.233 -9.634 7.950 1.00 14.23 C ATOM 1222 C SER A 78 0.384 -8.434 7.511 1.00 55.01 C ATOM 1223 O SER A 78 -0.649 -8.599 6.861 1.00 30.20 O ATOM 1224 CB SER A 78 1.224 -9.751 9.483 1.00 13.32 C ATOM 1225 OG SER A 78 -0.077 -10.000 9.988 1.00 14.11 O ATOM 0 H SER A 78 3.323 -9.562 8.185 1.00 14.25 H new ATOM 0 HA SER A 78 0.800 -10.538 7.522 1.00 14.23 H new ATOM 0 HB2 SER A 78 1.892 -10.556 9.789 1.00 13.32 H new ATOM 0 HB3 SER A 78 1.613 -8.831 9.919 1.00 13.32 H new ATOM 0 HG SER A 78 -0.739 -9.833 9.285 1.00 14.11 H new ATOM 1231 N ASN A 79 0.848 -7.228 7.846 1.00 3.42 N ATOM 1232 CA ASN A 79 0.163 -5.986 7.451 1.00 24.14 C ATOM 1233 C ASN A 79 -0.134 -5.963 5.939 1.00 50.15 C ATOM 1234 O ASN A 79 -1.229 -5.586 5.506 1.00 15.53 O ATOM 1235 CB ASN A 79 1.019 -4.770 7.825 1.00 22.12 C ATOM 1236 CG ASN A 79 1.330 -4.701 9.309 1.00 75.11 C ATOM 1237 OD1 ASN A 79 0.567 -5.179 10.138 1.00 42.22 O ATOM 1238 ND2 ASN A 79 2.453 -4.107 9.657 1.00 24.35 N ATOM 0 H ASN A 79 1.697 -7.081 8.391 1.00 3.42 H new ATOM 0 HA ASN A 79 -0.786 -5.945 7.986 1.00 24.14 H new ATOM 0 HB2 ASN A 79 1.953 -4.803 7.264 1.00 22.12 H new ATOM 0 HB3 ASN A 79 0.499 -3.860 7.525 1.00 22.12 H new ATOM 0 HD21 ASN A 79 2.708 -4.035 10.642 1.00 24.35 H new ATOM 0 HD22 ASN A 79 3.068 -3.719 8.941 1.00 24.35 H new ATOM 1245 N ILE A 80 0.850 -6.377 5.140 1.00 31.43 N ATOM 1246 CA ILE A 80 0.684 -6.443 3.686 1.00 31.01 C ATOM 1247 C ILE A 80 -0.384 -7.479 3.290 1.00 73.32 C ATOM 1248 O ILE A 80 -1.220 -7.219 2.423 1.00 2.22 O ATOM 1249 CB ILE A 80 2.020 -6.788 2.972 1.00 12.41 C ATOM 1250 CG1 ILE A 80 3.121 -5.790 3.371 1.00 4.01 C ATOM 1251 CG2 ILE A 80 1.830 -6.794 1.455 1.00 40.51 C ATOM 1252 CD1 ILE A 80 4.471 -6.079 2.744 1.00 35.54 C ATOM 0 H ILE A 80 1.768 -6.671 5.473 1.00 31.43 H new ATOM 0 HA ILE A 80 0.358 -5.454 3.365 1.00 31.01 H new ATOM 0 HB ILE A 80 2.329 -7.785 3.286 1.00 12.41 H new ATOM 0 HG12 ILE A 80 2.807 -4.786 3.087 1.00 4.01 H new ATOM 0 HG13 ILE A 80 3.227 -5.796 4.456 1.00 4.01 H new ATOM 0 HG21 ILE A 80 2.776 -7.037 0.971 1.00 40.51 H new ATOM 0 HG22 ILE A 80 1.082 -7.539 1.185 1.00 40.51 H new ATOM 0 HG23 ILE A 80 1.497 -5.810 1.126 1.00 40.51 H new ATOM 0 HD11 ILE A 80 5.193 -5.332 3.074 1.00 35.54 H new ATOM 0 HD12 ILE A 80 4.809 -7.070 3.048 1.00 35.54 H new ATOM 0 HD13 ILE A 80 4.383 -6.044 1.658 1.00 35.54 H new ATOM 1264 N ARG A 81 -0.366 -8.647 3.938 1.00 40.21 N ATOM 1265 CA ARG A 81 -1.326 -9.717 3.628 1.00 72.52 C ATOM 1266 C ARG A 81 -2.767 -9.288 3.927 1.00 22.12 C ATOM 1267 O ARG A 81 -3.665 -9.534 3.126 1.00 71.31 O ATOM 1268 CB ARG A 81 -1.002 -11.002 4.401 1.00 10.41 C ATOM 1269 CG ARG A 81 0.361 -11.602 4.074 1.00 3.41 C ATOM 1270 CD ARG A 81 0.570 -12.933 4.787 1.00 73.45 C ATOM 1271 NE ARG A 81 0.195 -12.858 6.199 1.00 14.24 N ATOM 1272 CZ ARG A 81 0.999 -13.092 7.197 1.00 62.41 C ATOM 1273 NH1 ARG A 81 2.245 -13.383 6.993 1.00 33.13 N ATOM 1274 NH2 ARG A 81 0.556 -13.022 8.409 1.00 50.30 N ATOM 0 H ARG A 81 0.298 -8.878 4.677 1.00 40.21 H new ATOM 0 HA ARG A 81 -1.237 -9.916 2.560 1.00 72.52 H new ATOM 0 HB2 ARG A 81 -1.046 -10.791 5.469 1.00 10.41 H new ATOM 0 HB3 ARG A 81 -1.773 -11.743 4.190 1.00 10.41 H new ATOM 0 HG2 ARG A 81 0.447 -11.747 2.997 1.00 3.41 H new ATOM 0 HG3 ARG A 81 1.146 -10.905 4.365 1.00 3.41 H new ATOM 0 HD2 ARG A 81 -0.021 -13.706 4.295 1.00 73.45 H new ATOM 0 HD3 ARG A 81 1.616 -13.230 4.704 1.00 73.45 H new ATOM 0 HE ARG A 81 -0.768 -12.603 6.419 1.00 14.24 H new ATOM 0 HH11 ARG A 81 2.608 -13.431 6.041 1.00 33.13 H new ATOM 0 HH12 ARG A 81 2.863 -13.564 7.784 1.00 33.13 H new ATOM 0 HH21 ARG A 81 -0.421 -12.784 8.582 1.00 50.30 H new ATOM 0 HH22 ARG A 81 1.183 -13.205 9.193 1.00 50.30 H new ATOM 1288 N GLU A 82 -2.985 -8.657 5.080 1.00 42.14 N ATOM 1289 CA GLU A 82 -4.311 -8.134 5.435 1.00 65.20 C ATOM 1290 C GLU A 82 -4.796 -7.094 4.410 1.00 55.13 C ATOM 1291 O GLU A 82 -5.981 -7.051 4.065 1.00 31.12 O ATOM 1292 CB GLU A 82 -4.302 -7.541 6.855 1.00 22.25 C ATOM 1293 CG GLU A 82 -4.522 -8.571 7.969 1.00 50.20 C ATOM 1294 CD GLU A 82 -3.436 -9.639 8.054 1.00 23.53 C ATOM 1295 OE1 GLU A 82 -3.483 -10.618 7.277 1.00 22.13 O ATOM 1296 OE2 GLU A 82 -2.543 -9.517 8.917 1.00 42.43 O ATOM 0 H GLU A 82 -2.266 -8.494 5.785 1.00 42.14 H new ATOM 0 HA GLU A 82 -5.013 -8.968 5.417 1.00 65.20 H new ATOM 0 HB2 GLU A 82 -3.348 -7.041 7.021 1.00 22.25 H new ATOM 0 HB3 GLU A 82 -5.078 -6.778 6.923 1.00 22.25 H new ATOM 0 HG2 GLU A 82 -4.579 -8.050 8.925 1.00 50.20 H new ATOM 0 HG3 GLU A 82 -5.484 -9.058 7.813 1.00 50.20 H new ATOM 1303 N PHE A 83 -3.877 -6.266 3.914 1.00 61.43 N ATOM 1304 CA PHE A 83 -4.188 -5.333 2.823 1.00 3.25 C ATOM 1305 C PHE A 83 -4.644 -6.100 1.567 1.00 43.32 C ATOM 1306 O PHE A 83 -5.646 -5.756 0.935 1.00 21.34 O ATOM 1307 CB PHE A 83 -2.958 -4.467 2.508 1.00 12.31 C ATOM 1308 CG PHE A 83 -3.097 -3.625 1.262 1.00 1.34 C ATOM 1309 CD1 PHE A 83 -3.938 -2.521 1.240 1.00 35.53 C ATOM 1310 CD2 PHE A 83 -2.381 -3.938 0.112 1.00 45.23 C ATOM 1311 CE1 PHE A 83 -4.064 -1.750 0.101 1.00 31.44 C ATOM 1312 CE2 PHE A 83 -2.504 -3.169 -1.029 1.00 24.52 C ATOM 1313 CZ PHE A 83 -3.345 -2.074 -1.036 1.00 13.30 C ATOM 0 H PHE A 83 -2.914 -6.220 4.246 1.00 61.43 H new ATOM 0 HA PHE A 83 -5.004 -4.684 3.139 1.00 3.25 H new ATOM 0 HB2 PHE A 83 -2.762 -3.811 3.356 1.00 12.31 H new ATOM 0 HB3 PHE A 83 -2.089 -5.116 2.400 1.00 12.31 H new ATOM 0 HD1 PHE A 83 -4.501 -2.262 2.125 1.00 35.53 H new ATOM 0 HD2 PHE A 83 -1.721 -4.793 0.111 1.00 45.23 H new ATOM 0 HE1 PHE A 83 -4.723 -0.895 0.098 1.00 31.44 H new ATOM 0 HE2 PHE A 83 -1.942 -3.424 -1.915 1.00 24.52 H new ATOM 0 HZ PHE A 83 -3.441 -1.472 -1.927 1.00 13.30 H new ATOM 1323 N LEU A 84 -3.900 -7.148 1.225 1.00 32.30 N ATOM 1324 CA LEU A 84 -4.238 -8.011 0.087 1.00 2.03 C ATOM 1325 C LEU A 84 -5.523 -8.811 0.359 1.00 13.13 C ATOM 1326 O LEU A 84 -6.271 -9.144 -0.562 1.00 62.14 O ATOM 1327 CB LEU A 84 -3.075 -8.970 -0.202 1.00 31.51 C ATOM 1328 CG LEU A 84 -1.716 -8.294 -0.458 1.00 62.20 C ATOM 1329 CD1 LEU A 84 -0.607 -9.336 -0.589 1.00 54.54 C ATOM 1330 CD2 LEU A 84 -1.780 -7.407 -1.700 1.00 53.33 C ATOM 0 H LEU A 84 -3.053 -7.425 1.721 1.00 32.30 H new ATOM 0 HA LEU A 84 -4.412 -7.377 -0.783 1.00 2.03 H new ATOM 0 HB2 LEU A 84 -2.970 -9.653 0.641 1.00 31.51 H new ATOM 0 HB3 LEU A 84 -3.331 -9.575 -1.072 1.00 31.51 H new ATOM 0 HG LEU A 84 -1.484 -7.662 0.399 1.00 62.20 H new ATOM 0 HD11 LEU A 84 0.344 -8.835 -0.770 1.00 54.54 H new ATOM 0 HD12 LEU A 84 -0.542 -9.916 0.331 1.00 54.54 H new ATOM 0 HD13 LEU A 84 -0.830 -10.002 -1.423 1.00 54.54 H new ATOM 0 HD21 LEU A 84 -0.809 -6.939 -1.863 1.00 53.33 H new ATOM 0 HD22 LEU A 84 -2.040 -8.014 -2.567 1.00 53.33 H new ATOM 0 HD23 LEU A 84 -2.536 -6.635 -1.557 1.00 53.33 H new ATOM 1342 N ARG A 85 -5.771 -9.102 1.636 1.00 24.45 N ATOM 1343 CA ARG A 85 -6.949 -9.866 2.066 1.00 43.23 C ATOM 1344 C ARG A 85 -8.238 -9.099 1.735 1.00 72.01 C ATOM 1345 O ARG A 85 -9.127 -9.619 1.059 1.00 14.22 O ATOM 1346 CB ARG A 85 -6.862 -10.134 3.580 1.00 23.03 C ATOM 1347 CG ARG A 85 -7.840 -11.182 4.112 1.00 73.13 C ATOM 1348 CD ARG A 85 -7.538 -12.579 3.569 1.00 53.24 C ATOM 1349 NE ARG A 85 -6.107 -12.881 3.601 1.00 23.21 N ATOM 1350 CZ ARG A 85 -5.515 -13.661 4.472 1.00 64.02 C ATOM 1351 NH1 ARG A 85 -6.186 -14.236 5.420 1.00 71.20 N ATOM 1352 NH2 ARG A 85 -4.244 -13.858 4.382 1.00 54.43 N ATOM 0 H ARG A 85 -5.163 -8.816 2.404 1.00 24.45 H new ATOM 0 HA ARG A 85 -6.971 -10.816 1.532 1.00 43.23 H new ATOM 0 HB2 ARG A 85 -5.847 -10.453 3.819 1.00 23.03 H new ATOM 0 HB3 ARG A 85 -7.035 -9.197 4.109 1.00 23.03 H new ATOM 0 HG2 ARG A 85 -7.795 -11.199 5.201 1.00 73.13 H new ATOM 0 HG3 ARG A 85 -8.857 -10.900 3.839 1.00 73.13 H new ATOM 0 HD2 ARG A 85 -8.079 -13.321 4.157 1.00 53.24 H new ATOM 0 HD3 ARG A 85 -7.902 -12.657 2.545 1.00 53.24 H new ATOM 0 HE ARG A 85 -5.522 -12.449 2.886 1.00 23.21 H new ATOM 0 HH11 ARG A 85 -7.192 -14.085 5.497 1.00 71.20 H new ATOM 0 HH12 ARG A 85 -5.708 -14.840 6.089 1.00 71.20 H new ATOM 0 HH21 ARG A 85 -3.710 -13.409 3.638 1.00 54.43 H new ATOM 0 HH22 ARG A 85 -3.773 -14.463 5.054 1.00 54.43 H new ATOM 1366 N GLY A 86 -8.317 -7.852 2.203 1.00 54.32 N ATOM 1367 CA GLY A 86 -9.472 -7.007 1.911 1.00 14.55 C ATOM 1368 C GLY A 86 -9.630 -6.714 0.423 1.00 42.01 C ATOM 1369 O GLY A 86 -10.735 -6.787 -0.125 1.00 33.44 O ATOM 0 H GLY A 86 -7.602 -7.410 2.780 1.00 54.32 H new ATOM 0 HA2 GLY A 86 -10.375 -7.495 2.278 1.00 14.55 H new ATOM 0 HA3 GLY A 86 -9.374 -6.067 2.453 1.00 14.55 H new ATOM 1373 N CYS A 87 -8.522 -6.389 -0.239 1.00 24.03 N ATOM 1374 CA CYS A 87 -8.532 -6.113 -1.681 1.00 71.14 C ATOM 1375 C CYS A 87 -8.920 -7.356 -2.499 1.00 62.12 C ATOM 1376 O CYS A 87 -9.560 -7.242 -3.541 1.00 12.52 O ATOM 1377 CB CYS A 87 -7.164 -5.598 -2.134 1.00 24.12 C ATOM 1378 SG CYS A 87 -6.707 -3.999 -1.422 1.00 14.13 S ATOM 0 H CYS A 87 -7.603 -6.309 0.197 1.00 24.03 H new ATOM 0 HA CYS A 87 -9.286 -5.346 -1.860 1.00 71.14 H new ATOM 0 HB2 CYS A 87 -6.404 -6.333 -1.868 1.00 24.12 H new ATOM 0 HB3 CYS A 87 -7.160 -5.515 -3.221 1.00 24.12 H new ATOM 0 HG CYS A 87 -6.145 -4.184 -0.264 1.00 14.13 H new ATOM 1384 N GLY A 88 -8.531 -8.537 -2.023 1.00 14.15 N ATOM 1385 CA GLY A 88 -8.854 -9.778 -2.725 1.00 70.51 C ATOM 1386 C GLY A 88 -10.259 -10.303 -2.425 1.00 71.21 C ATOM 1387 O GLY A 88 -10.838 -11.030 -3.231 1.00 42.21 O ATOM 0 H GLY A 88 -7.997 -8.661 -1.163 1.00 14.15 H new ATOM 0 HA2 GLY A 88 -8.758 -9.614 -3.798 1.00 70.51 H new ATOM 0 HA3 GLY A 88 -8.124 -10.540 -2.452 1.00 70.51 H new ATOM 1391 N ALA A 89 -10.803 -9.942 -1.263 1.00 31.12 N ATOM 1392 CA ALA A 89 -12.141 -10.397 -0.852 1.00 12.31 C ATOM 1393 C ALA A 89 -13.250 -9.413 -1.274 1.00 5.30 C ATOM 1394 O ALA A 89 -14.229 -9.803 -1.914 1.00 70.11 O ATOM 1395 CB ALA A 89 -12.176 -10.616 0.657 1.00 41.34 C ATOM 0 H ALA A 89 -10.341 -9.335 -0.586 1.00 31.12 H new ATOM 0 HA ALA A 89 -12.336 -11.339 -1.364 1.00 12.31 H new ATOM 0 HB1 ALA A 89 -13.170 -10.953 0.953 1.00 41.34 H new ATOM 0 HB2 ALA A 89 -11.440 -11.372 0.932 1.00 41.34 H new ATOM 0 HB3 ALA A 89 -11.943 -9.681 1.166 1.00 41.34 H new ATOM 1401 N SER A 90 -13.100 -8.142 -0.899 1.00 41.24 N ATOM 1402 CA SER A 90 -14.110 -7.109 -1.201 1.00 41.11 C ATOM 1403 C SER A 90 -13.925 -6.523 -2.610 1.00 53.12 C ATOM 1404 O SER A 90 -14.849 -6.521 -3.427 1.00 35.02 O ATOM 1405 CB SER A 90 -14.038 -5.974 -0.162 1.00 43.32 C ATOM 1406 OG SER A 90 -14.943 -4.922 -0.467 1.00 53.01 O ATOM 0 H SER A 90 -12.290 -7.796 -0.385 1.00 41.24 H new ATOM 0 HA SER A 90 -15.088 -7.589 -1.158 1.00 41.11 H new ATOM 0 HB2 SER A 90 -14.263 -6.372 0.827 1.00 43.32 H new ATOM 0 HB3 SER A 90 -13.022 -5.580 -0.123 1.00 43.32 H new ATOM 0 HG SER A 90 -15.112 -4.391 0.340 1.00 53.01 H new ATOM 1412 N LEU A 91 -12.721 -6.031 -2.890 1.00 75.44 N ATOM 1413 CA LEU A 91 -12.423 -5.373 -4.171 1.00 33.22 C ATOM 1414 C LEU A 91 -12.218 -6.379 -5.318 1.00 61.11 C ATOM 1415 O LEU A 91 -12.522 -6.078 -6.473 1.00 74.42 O ATOM 1416 CB LEU A 91 -11.183 -4.484 -4.015 1.00 34.11 C ATOM 1417 CG LEU A 91 -11.376 -3.266 -3.096 1.00 55.41 C ATOM 1418 CD1 LEU A 91 -10.039 -2.605 -2.781 1.00 71.12 C ATOM 1419 CD2 LEU A 91 -12.333 -2.264 -3.739 1.00 23.55 C ATOM 0 H LEU A 91 -11.929 -6.073 -2.248 1.00 75.44 H new ATOM 0 HA LEU A 91 -13.287 -4.764 -4.437 1.00 33.22 H new ATOM 0 HB2 LEU A 91 -10.365 -5.090 -3.625 1.00 34.11 H new ATOM 0 HB3 LEU A 91 -10.878 -4.133 -5.001 1.00 34.11 H new ATOM 0 HG LEU A 91 -11.811 -3.610 -2.158 1.00 55.41 H new ATOM 0 HD11 LEU A 91 -10.202 -1.746 -2.130 1.00 71.12 H new ATOM 0 HD12 LEU A 91 -9.388 -3.322 -2.280 1.00 71.12 H new ATOM 0 HD13 LEU A 91 -9.570 -2.274 -3.707 1.00 71.12 H new ATOM 0 HD21 LEU A 91 -12.461 -1.407 -3.078 1.00 23.55 H new ATOM 0 HD22 LEU A 91 -11.923 -1.929 -4.692 1.00 23.55 H new ATOM 0 HD23 LEU A 91 -13.299 -2.740 -3.907 1.00 23.55 H new ATOM 1431 N ARG A 92 -11.692 -7.563 -4.991 1.00 34.11 N ATOM 1432 CA ARG A 92 -11.464 -8.632 -5.980 1.00 61.11 C ATOM 1433 C ARG A 92 -10.398 -8.251 -7.028 1.00 12.12 C ATOM 1434 O ARG A 92 -10.301 -8.882 -8.083 1.00 52.43 O ATOM 1435 CB ARG A 92 -12.780 -9.009 -6.687 1.00 30.01 C ATOM 1436 CG ARG A 92 -13.827 -9.631 -5.768 1.00 14.01 C ATOM 1437 CD ARG A 92 -13.356 -10.957 -5.187 1.00 32.40 C ATOM 1438 NE ARG A 92 -14.402 -11.620 -4.418 1.00 63.42 N ATOM 1439 CZ ARG A 92 -14.347 -12.868 -4.040 1.00 3.13 C ATOM 1440 NH1 ARG A 92 -13.305 -13.590 -4.295 1.00 0.22 N ATOM 1441 NH2 ARG A 92 -15.332 -13.394 -3.394 1.00 1.30 N ATOM 0 H ARG A 92 -11.413 -7.811 -4.042 1.00 34.11 H new ATOM 0 HA ARG A 92 -11.088 -9.493 -5.427 1.00 61.11 H new ATOM 0 HB2 ARG A 92 -13.201 -8.115 -7.147 1.00 30.01 H new ATOM 0 HB3 ARG A 92 -12.559 -9.708 -7.493 1.00 30.01 H new ATOM 0 HG2 ARG A 92 -14.055 -8.940 -4.957 1.00 14.01 H new ATOM 0 HG3 ARG A 92 -14.752 -9.786 -6.324 1.00 14.01 H new ATOM 0 HD2 ARG A 92 -13.031 -11.612 -5.996 1.00 32.40 H new ATOM 0 HD3 ARG A 92 -12.490 -10.785 -4.548 1.00 32.40 H new ATOM 0 HE ARG A 92 -15.226 -11.076 -4.160 1.00 63.42 H new ATOM 0 HH11 ARG A 92 -12.514 -13.185 -4.797 1.00 0.22 H new ATOM 0 HH12 ARG A 92 -13.274 -14.564 -3.994 1.00 0.22 H new ATOM 0 HH21 ARG A 92 -16.157 -12.834 -3.177 1.00 1.30 H new ATOM 0 HH22 ARG A 92 -15.286 -14.370 -3.100 1.00 1.30 H new ATOM 1455 N LEU A 93 -9.581 -7.245 -6.721 1.00 30.24 N ATOM 1456 CA LEU A 93 -8.543 -6.783 -7.654 1.00 4.05 C ATOM 1457 C LEU A 93 -7.314 -7.711 -7.634 1.00 62.51 C ATOM 1458 O LEU A 93 -7.163 -8.540 -6.732 1.00 31.10 O ATOM 1459 CB LEU A 93 -8.156 -5.321 -7.343 1.00 54.13 C ATOM 1460 CG LEU A 93 -7.617 -5.034 -5.923 1.00 31.44 C ATOM 1461 CD1 LEU A 93 -6.124 -5.336 -5.815 1.00 5.23 C ATOM 1462 CD2 LEU A 93 -7.891 -3.584 -5.526 1.00 22.44 C ATOM 0 H LEU A 93 -9.613 -6.733 -5.839 1.00 30.24 H new ATOM 0 HA LEU A 93 -8.951 -6.819 -8.664 1.00 4.05 H new ATOM 0 HB2 LEU A 93 -7.400 -5.008 -8.064 1.00 54.13 H new ATOM 0 HB3 LEU A 93 -9.033 -4.694 -7.508 1.00 54.13 H new ATOM 0 HG LEU A 93 -8.143 -5.696 -5.235 1.00 31.44 H new ATOM 0 HD11 LEU A 93 -5.782 -5.122 -4.802 1.00 5.23 H new ATOM 0 HD12 LEU A 93 -5.948 -6.387 -6.043 1.00 5.23 H new ATOM 0 HD13 LEU A 93 -5.575 -4.715 -6.522 1.00 5.23 H new ATOM 0 HD21 LEU A 93 -7.504 -3.402 -4.523 1.00 22.44 H new ATOM 0 HD22 LEU A 93 -7.399 -2.914 -6.232 1.00 22.44 H new ATOM 0 HD23 LEU A 93 -8.965 -3.400 -5.539 1.00 22.44 H new ATOM 1474 N GLU A 94 -6.435 -7.569 -8.627 1.00 2.42 N ATOM 1475 CA GLU A 94 -5.250 -8.435 -8.735 1.00 65.15 C ATOM 1476 C GLU A 94 -4.147 -7.999 -7.757 1.00 34.34 C ATOM 1477 O GLU A 94 -3.665 -6.863 -7.790 1.00 11.22 O ATOM 1478 CB GLU A 94 -4.717 -8.503 -10.187 1.00 54.52 C ATOM 1479 CG GLU A 94 -5.292 -7.459 -11.147 1.00 3.41 C ATOM 1480 CD GLU A 94 -4.810 -6.046 -10.868 1.00 11.45 C ATOM 1481 OE1 GLU A 94 -3.729 -5.671 -11.374 1.00 51.23 O ATOM 1482 OE2 GLU A 94 -5.514 -5.305 -10.157 1.00 73.32 O ATOM 0 H GLU A 94 -6.516 -6.870 -9.365 1.00 2.42 H new ATOM 0 HA GLU A 94 -5.562 -9.442 -8.457 1.00 65.15 H new ATOM 0 HB2 GLU A 94 -3.633 -8.392 -10.164 1.00 54.52 H new ATOM 0 HB3 GLU A 94 -4.927 -9.495 -10.587 1.00 54.52 H new ATOM 0 HG2 GLU A 94 -5.024 -7.730 -12.168 1.00 3.41 H new ATOM 0 HG3 GLU A 94 -6.380 -7.482 -11.086 1.00 3.41 H new ATOM 1489 N THR A 95 -3.752 -8.924 -6.890 1.00 43.15 N ATOM 1490 CA THR A 95 -2.832 -8.633 -5.785 1.00 41.34 C ATOM 1491 C THR A 95 -1.367 -8.929 -6.137 1.00 54.42 C ATOM 1492 O THR A 95 -1.048 -9.366 -7.244 1.00 1.12 O ATOM 1493 CB THR A 95 -3.215 -9.462 -4.535 1.00 14.15 C ATOM 1494 OG1 THR A 95 -3.184 -10.866 -4.846 1.00 50.34 O ATOM 1495 CG2 THR A 95 -4.605 -9.084 -4.028 1.00 71.11 C ATOM 0 H THR A 95 -4.057 -9.897 -6.929 1.00 43.15 H new ATOM 0 HA THR A 95 -2.924 -7.566 -5.583 1.00 41.34 H new ATOM 0 HB THR A 95 -2.489 -9.243 -3.752 1.00 14.15 H new ATOM 0 HG1 THR A 95 -3.426 -11.383 -4.049 1.00 50.34 H new ATOM 0 HG21 THR A 95 -4.847 -9.682 -3.150 1.00 71.11 H new ATOM 0 HG22 THR A 95 -4.620 -8.027 -3.763 1.00 71.11 H new ATOM 0 HG23 THR A 95 -5.341 -9.273 -4.809 1.00 71.11 H new ATOM 1503 N PHE A 96 -0.483 -8.674 -5.174 1.00 15.33 N ATOM 1504 CA PHE A 96 0.948 -8.982 -5.303 1.00 52.51 C ATOM 1505 C PHE A 96 1.415 -9.828 -4.108 1.00 31.01 C ATOM 1506 O PHE A 96 0.623 -10.150 -3.223 1.00 23.34 O ATOM 1507 CB PHE A 96 1.770 -7.685 -5.402 1.00 0.11 C ATOM 1508 CG PHE A 96 1.538 -6.716 -4.265 1.00 34.14 C ATOM 1509 CD1 PHE A 96 2.292 -6.787 -3.099 1.00 32.42 C ATOM 1510 CD2 PHE A 96 0.566 -5.727 -4.365 1.00 52.24 C ATOM 1511 CE1 PHE A 96 2.081 -5.897 -2.064 1.00 21.11 C ATOM 1512 CE2 PHE A 96 0.354 -4.834 -3.330 1.00 72.41 C ATOM 1513 CZ PHE A 96 1.113 -4.919 -2.178 1.00 71.32 C ATOM 0 H PHE A 96 -0.734 -8.249 -4.282 1.00 15.33 H new ATOM 0 HA PHE A 96 1.103 -9.555 -6.217 1.00 52.51 H new ATOM 0 HB2 PHE A 96 2.829 -7.941 -5.436 1.00 0.11 H new ATOM 0 HB3 PHE A 96 1.532 -7.188 -6.342 1.00 0.11 H new ATOM 0 HD1 PHE A 96 3.052 -7.548 -3.001 1.00 32.42 H new ATOM 0 HD2 PHE A 96 -0.031 -5.655 -5.262 1.00 52.24 H new ATOM 0 HE1 PHE A 96 2.674 -5.966 -1.164 1.00 21.11 H new ATOM 0 HE2 PHE A 96 -0.404 -4.071 -3.422 1.00 72.41 H new ATOM 0 HZ PHE A 96 0.949 -4.222 -1.369 1.00 71.32 H new ATOM 1523 N ASP A 97 2.692 -10.193 -4.077 1.00 41.40 N ATOM 1524 CA ASP A 97 3.225 -10.996 -2.976 1.00 62.35 C ATOM 1525 C ASP A 97 3.891 -10.100 -1.920 1.00 43.33 C ATOM 1526 O ASP A 97 4.730 -9.262 -2.242 1.00 45.44 O ATOM 1527 CB ASP A 97 4.235 -12.021 -3.500 1.00 73.23 C ATOM 1528 CG ASP A 97 3.661 -12.883 -4.609 1.00 74.13 C ATOM 1529 OD1 ASP A 97 2.978 -13.881 -4.301 1.00 55.22 O ATOM 1530 OD2 ASP A 97 3.897 -12.576 -5.797 1.00 72.55 O ATOM 0 H ASP A 97 3.375 -9.949 -4.794 1.00 41.40 H new ATOM 0 HA ASP A 97 2.393 -11.524 -2.511 1.00 62.35 H new ATOM 0 HB2 ASP A 97 5.119 -11.501 -3.869 1.00 73.23 H new ATOM 0 HB3 ASP A 97 4.560 -12.659 -2.679 1.00 73.23 H new ATOM 1535 N ALA A 98 3.529 -10.297 -0.653 1.00 42.11 N ATOM 1536 CA ALA A 98 4.109 -9.519 0.453 1.00 61.20 C ATOM 1537 C ALA A 98 5.649 -9.470 0.389 1.00 32.12 C ATOM 1538 O ALA A 98 6.276 -8.516 0.854 1.00 43.33 O ATOM 1539 CB ALA A 98 3.653 -10.099 1.790 1.00 71.34 C ATOM 0 H ALA A 98 2.837 -10.988 -0.362 1.00 42.11 H new ATOM 0 HA ALA A 98 3.751 -8.494 0.357 1.00 61.20 H new ATOM 0 HB1 ALA A 98 4.086 -9.519 2.605 1.00 71.34 H new ATOM 0 HB2 ALA A 98 2.566 -10.058 1.853 1.00 71.34 H new ATOM 0 HB3 ALA A 98 3.982 -11.135 1.868 1.00 71.34 H new ATOM 1545 N ASN A 99 6.248 -10.497 -0.211 1.00 21.33 N ATOM 1546 CA ASN A 99 7.706 -10.613 -0.292 1.00 54.51 C ATOM 1547 C ASN A 99 8.333 -9.645 -1.310 1.00 52.13 C ATOM 1548 O ASN A 99 9.361 -9.030 -1.023 1.00 21.12 O ATOM 1549 CB ASN A 99 8.092 -12.055 -0.632 1.00 4.43 C ATOM 1550 CG ASN A 99 7.659 -13.021 0.452 1.00 31.14 C ATOM 1551 OD1 ASN A 99 6.558 -13.558 0.423 1.00 14.21 O ATOM 1552 ND2 ASN A 99 8.514 -13.242 1.429 1.00 73.05 N ATOM 0 H ASN A 99 5.744 -11.266 -0.651 1.00 21.33 H new ATOM 0 HA ASN A 99 8.102 -10.338 0.685 1.00 54.51 H new ATOM 0 HB2 ASN A 99 7.634 -12.341 -1.579 1.00 4.43 H new ATOM 0 HB3 ASN A 99 9.172 -12.120 -0.768 1.00 4.43 H new ATOM 0 HD21 ASN A 99 8.267 -13.875 2.189 1.00 73.05 H new ATOM 0 HD22 ASN A 99 9.423 -12.780 1.425 1.00 73.05 H new ATOM 1559 N ASP A 100 7.728 -9.491 -2.493 1.00 1.24 N ATOM 1560 CA ASP A 100 8.330 -8.643 -3.532 1.00 44.30 C ATOM 1561 C ASP A 100 8.347 -7.163 -3.119 1.00 71.14 C ATOM 1562 O ASP A 100 9.309 -6.445 -3.400 1.00 41.22 O ATOM 1563 CB ASP A 100 7.638 -8.832 -4.895 1.00 41.33 C ATOM 1564 CG ASP A 100 6.127 -8.683 -4.847 1.00 23.42 C ATOM 1565 OD1 ASP A 100 5.641 -7.576 -4.557 1.00 21.40 O ATOM 1566 OD2 ASP A 100 5.425 -9.680 -5.118 1.00 1.44 O ATOM 0 H ASP A 100 6.844 -9.929 -2.753 1.00 1.24 H new ATOM 0 HA ASP A 100 9.365 -8.965 -3.643 1.00 44.30 H new ATOM 0 HB2 ASP A 100 8.042 -8.105 -5.600 1.00 41.33 H new ATOM 0 HB3 ASP A 100 7.883 -9.821 -5.281 1.00 41.33 H new ATOM 1571 N LEU A 101 7.299 -6.717 -2.433 1.00 60.42 N ATOM 1572 CA LEU A 101 7.248 -5.343 -1.916 1.00 12.32 C ATOM 1573 C LEU A 101 8.203 -5.155 -0.725 1.00 21.33 C ATOM 1574 O LEU A 101 9.029 -4.240 -0.719 1.00 1.44 O ATOM 1575 CB LEU A 101 5.818 -4.978 -1.492 1.00 11.23 C ATOM 1576 CG LEU A 101 5.658 -3.578 -0.867 1.00 52.13 C ATOM 1577 CD1 LEU A 101 6.133 -2.488 -1.827 1.00 43.14 C ATOM 1578 CD2 LEU A 101 4.210 -3.339 -0.452 1.00 32.24 C ATOM 0 H LEU A 101 6.475 -7.279 -2.220 1.00 60.42 H new ATOM 0 HA LEU A 101 7.566 -4.680 -2.721 1.00 12.32 H new ATOM 0 HB2 LEU A 101 5.169 -5.045 -2.365 1.00 11.23 H new ATOM 0 HB3 LEU A 101 5.467 -5.721 -0.776 1.00 11.23 H new ATOM 0 HG LEU A 101 6.284 -3.533 0.024 1.00 52.13 H new ATOM 0 HD11 LEU A 101 6.008 -1.511 -1.359 1.00 43.14 H new ATOM 0 HD12 LEU A 101 7.185 -2.645 -2.064 1.00 43.14 H new ATOM 0 HD13 LEU A 101 5.545 -2.529 -2.744 1.00 43.14 H new ATOM 0 HD21 LEU A 101 4.117 -2.346 -0.013 1.00 32.24 H new ATOM 0 HD22 LEU A 101 3.564 -3.411 -1.327 1.00 32.24 H new ATOM 0 HD23 LEU A 101 3.913 -4.089 0.281 1.00 32.24 H new ATOM 1590 N TYR A 102 8.099 -6.034 0.273 1.00 51.00 N ATOM 1591 CA TYR A 102 8.911 -5.925 1.491 1.00 73.01 C ATOM 1592 C TYR A 102 10.419 -6.035 1.194 1.00 41.44 C ATOM 1593 O TYR A 102 11.235 -5.368 1.832 1.00 40.33 O ATOM 1594 CB TYR A 102 8.494 -6.995 2.509 1.00 25.33 C ATOM 1595 CG TYR A 102 9.233 -6.909 3.833 1.00 62.40 C ATOM 1596 CD1 TYR A 102 9.003 -5.855 4.709 1.00 13.30 C ATOM 1597 CD2 TYR A 102 10.159 -7.878 4.205 1.00 64.35 C ATOM 1598 CE1 TYR A 102 9.672 -5.767 5.913 1.00 14.03 C ATOM 1599 CE2 TYR A 102 10.830 -7.795 5.410 1.00 25.33 C ATOM 1600 CZ TYR A 102 10.583 -6.740 6.259 1.00 11.23 C ATOM 1601 OH TYR A 102 11.254 -6.653 7.457 1.00 21.53 O ATOM 0 H TYR A 102 7.461 -6.830 0.264 1.00 51.00 H new ATOM 0 HA TYR A 102 8.731 -4.936 1.912 1.00 73.01 H new ATOM 0 HB2 TYR A 102 7.424 -6.907 2.696 1.00 25.33 H new ATOM 0 HB3 TYR A 102 8.662 -7.980 2.074 1.00 25.33 H new ATOM 0 HD1 TYR A 102 8.288 -5.091 4.443 1.00 13.30 H new ATOM 0 HD2 TYR A 102 10.356 -8.708 3.542 1.00 64.35 H new ATOM 0 HE1 TYR A 102 9.482 -4.939 6.580 1.00 14.03 H new ATOM 0 HE2 TYR A 102 11.546 -8.555 5.685 1.00 25.33 H new ATOM 0 HH TYR A 102 11.859 -7.418 7.549 1.00 21.53 H new ATOM 1611 N GLN A 103 10.790 -6.884 0.233 1.00 24.33 N ATOM 1612 CA GLN A 103 12.204 -7.055 -0.136 1.00 22.21 C ATOM 1613 C GLN A 103 12.631 -6.079 -1.248 1.00 45.11 C ATOM 1614 O GLN A 103 13.820 -5.948 -1.545 1.00 32.33 O ATOM 1615 CB GLN A 103 12.478 -8.503 -0.580 1.00 43.03 C ATOM 1616 CG GLN A 103 12.151 -9.562 0.475 1.00 5.22 C ATOM 1617 CD GLN A 103 12.835 -9.323 1.814 1.00 62.43 C ATOM 1618 OE1 GLN A 103 13.890 -8.706 1.893 1.00 0.40 O ATOM 1619 NE2 GLN A 103 12.245 -9.830 2.878 1.00 21.14 N ATOM 0 H GLN A 103 10.140 -7.461 -0.302 1.00 24.33 H new ATOM 0 HA GLN A 103 12.795 -6.832 0.752 1.00 22.21 H new ATOM 0 HB2 GLN A 103 11.896 -8.711 -1.478 1.00 43.03 H new ATOM 0 HB3 GLN A 103 13.529 -8.593 -0.854 1.00 43.03 H new ATOM 0 HG2 GLN A 103 11.072 -9.589 0.628 1.00 5.22 H new ATOM 0 HG3 GLN A 103 12.444 -10.541 0.097 1.00 5.22 H new ATOM 0 HE21 GLN A 103 11.367 -10.339 2.780 1.00 21.14 H new ATOM 0 HE22 GLN A 103 12.667 -9.713 3.799 1.00 21.14 H new ATOM 1628 N GLY A 104 11.660 -5.401 -1.862 1.00 45.12 N ATOM 1629 CA GLY A 104 11.956 -4.450 -2.932 1.00 4.31 C ATOM 1630 C GLY A 104 12.358 -5.119 -4.246 1.00 53.13 C ATOM 1631 O GLY A 104 13.190 -4.597 -4.989 1.00 24.15 O ATOM 0 H GLY A 104 10.669 -5.492 -1.638 1.00 45.12 H new ATOM 0 HA2 GLY A 104 11.080 -3.825 -3.105 1.00 4.31 H new ATOM 0 HA3 GLY A 104 12.760 -3.789 -2.608 1.00 4.31 H new ATOM 1635 N GLN A 105 11.761 -6.274 -4.536 1.00 61.13 N ATOM 1636 CA GLN A 105 12.073 -7.027 -5.758 1.00 72.41 C ATOM 1637 C GLN A 105 11.232 -6.542 -6.955 1.00 45.12 C ATOM 1638 O GLN A 105 11.732 -5.838 -7.837 1.00 13.13 O ATOM 1639 CB GLN A 105 11.845 -8.534 -5.533 1.00 53.24 C ATOM 1640 CG GLN A 105 12.651 -9.137 -4.380 1.00 2.42 C ATOM 1641 CD GLN A 105 14.157 -9.110 -4.604 1.00 13.42 C ATOM 1642 OE1 GLN A 105 14.695 -8.216 -5.250 1.00 15.32 O ATOM 1643 NE2 GLN A 105 14.854 -10.092 -4.071 1.00 31.22 N ATOM 0 H GLN A 105 11.057 -6.712 -3.943 1.00 61.13 H new ATOM 0 HA GLN A 105 13.123 -6.852 -5.991 1.00 72.41 H new ATOM 0 HB2 GLN A 105 10.785 -8.703 -5.345 1.00 53.24 H new ATOM 0 HB3 GLN A 105 12.095 -9.067 -6.451 1.00 53.24 H new ATOM 0 HG2 GLN A 105 12.419 -8.594 -3.464 1.00 2.42 H new ATOM 0 HG3 GLN A 105 12.334 -10.169 -4.228 1.00 2.42 H new ATOM 0 HE21 GLN A 105 14.381 -10.822 -3.539 1.00 31.22 H new ATOM 0 HE22 GLN A 105 15.867 -10.122 -4.191 1.00 31.22 H new ATOM 1652 N ASN A 106 9.950 -6.912 -6.970 1.00 41.24 N ATOM 1653 CA ASN A 106 9.054 -6.567 -8.082 1.00 63.05 C ATOM 1654 C ASN A 106 7.994 -5.541 -7.656 1.00 33.42 C ATOM 1655 O ASN A 106 6.854 -5.892 -7.348 1.00 30.51 O ATOM 1656 CB ASN A 106 8.381 -7.832 -8.634 1.00 44.21 C ATOM 1657 CG ASN A 106 9.389 -8.830 -9.173 1.00 62.33 C ATOM 1658 OD1 ASN A 106 10.451 -8.458 -9.655 1.00 34.51 O ATOM 1659 ND2 ASN A 106 9.063 -10.103 -9.106 1.00 61.13 N ATOM 0 H ASN A 106 9.506 -7.451 -6.226 1.00 41.24 H new ATOM 0 HA ASN A 106 9.658 -6.113 -8.867 1.00 63.05 H new ATOM 0 HB2 ASN A 106 7.793 -8.302 -7.846 1.00 44.21 H new ATOM 0 HB3 ASN A 106 7.687 -7.555 -9.427 1.00 44.21 H new ATOM 0 HD21 ASN A 106 9.703 -10.813 -9.462 1.00 61.13 H new ATOM 0 HD22 ASN A 106 8.170 -10.380 -8.698 1.00 61.13 H new ATOM 1666 N PHE A 107 8.383 -4.270 -7.635 1.00 3.10 N ATOM 1667 CA PHE A 107 7.470 -3.185 -7.261 1.00 14.04 C ATOM 1668 C PHE A 107 6.455 -2.907 -8.382 1.00 63.54 C ATOM 1669 O PHE A 107 5.394 -2.335 -8.142 1.00 0.04 O ATOM 1670 CB PHE A 107 8.264 -1.912 -6.926 1.00 73.24 C ATOM 1671 CG PHE A 107 7.415 -0.794 -6.368 1.00 62.33 C ATOM 1672 CD1 PHE A 107 7.051 -0.785 -5.029 1.00 73.13 C ATOM 1673 CD2 PHE A 107 6.977 0.245 -7.180 1.00 21.22 C ATOM 1674 CE1 PHE A 107 6.270 0.233 -4.512 1.00 23.20 C ATOM 1675 CE2 PHE A 107 6.197 1.264 -6.668 1.00 23.33 C ATOM 1676 CZ PHE A 107 5.843 1.257 -5.332 1.00 61.01 C ATOM 0 H PHE A 107 9.326 -3.961 -7.872 1.00 3.10 H new ATOM 0 HA PHE A 107 6.916 -3.496 -6.375 1.00 14.04 H new ATOM 0 HB2 PHE A 107 9.042 -2.160 -6.204 1.00 73.24 H new ATOM 0 HB3 PHE A 107 8.766 -1.560 -7.827 1.00 73.24 H new ATOM 0 HD1 PHE A 107 7.382 -1.584 -4.382 1.00 73.13 H new ATOM 0 HD2 PHE A 107 7.250 0.256 -8.225 1.00 21.22 H new ATOM 0 HE1 PHE A 107 5.995 0.226 -3.468 1.00 23.20 H new ATOM 0 HE2 PHE A 107 5.864 2.065 -7.311 1.00 23.33 H new ATOM 0 HZ PHE A 107 5.233 2.052 -4.930 1.00 61.01 H new ATOM 1686 N ASN A 108 6.794 -3.309 -9.606 1.00 72.23 N ATOM 1687 CA ASN A 108 5.908 -3.126 -10.765 1.00 71.00 C ATOM 1688 C ASN A 108 4.486 -3.680 -10.514 1.00 32.13 C ATOM 1689 O ASN A 108 3.492 -3.020 -10.825 1.00 1.32 O ATOM 1690 CB ASN A 108 6.534 -3.757 -12.022 1.00 23.13 C ATOM 1691 CG ASN A 108 7.089 -5.155 -11.788 1.00 11.42 C ATOM 1692 OD1 ASN A 108 6.605 -5.905 -10.949 1.00 14.14 O ATOM 1693 ND2 ASN A 108 8.124 -5.511 -12.521 1.00 22.22 N ATOM 0 H ASN A 108 7.679 -3.766 -9.826 1.00 72.23 H new ATOM 0 HA ASN A 108 5.800 -2.053 -10.926 1.00 71.00 H new ATOM 0 HB2 ASN A 108 5.782 -3.800 -12.810 1.00 23.13 H new ATOM 0 HB3 ASN A 108 7.336 -3.112 -12.382 1.00 23.13 H new ATOM 0 HD21 ASN A 108 8.544 -6.432 -12.397 1.00 22.22 H new ATOM 0 HD22 ASN A 108 8.506 -4.865 -13.212 1.00 22.22 H new ATOM 1700 N LYS A 109 4.395 -4.883 -9.940 1.00 51.10 N ATOM 1701 CA LYS A 109 3.096 -5.473 -9.581 1.00 10.23 C ATOM 1702 C LYS A 109 2.389 -4.624 -8.513 1.00 11.42 C ATOM 1703 O LYS A 109 1.194 -4.345 -8.612 1.00 43.53 O ATOM 1704 CB LYS A 109 3.271 -6.904 -9.050 1.00 4.12 C ATOM 1705 CG LYS A 109 3.934 -7.871 -10.031 1.00 10.12 C ATOM 1706 CD LYS A 109 4.000 -9.292 -9.467 1.00 51.22 C ATOM 1707 CE LYS A 109 4.680 -9.325 -8.105 1.00 61.23 C ATOM 1708 NZ LYS A 109 4.799 -10.707 -7.567 1.00 54.23 N ATOM 0 H LYS A 109 5.200 -5.468 -9.714 1.00 51.10 H new ATOM 0 HA LYS A 109 2.487 -5.498 -10.485 1.00 10.23 H new ATOM 0 HB2 LYS A 109 3.866 -6.868 -8.137 1.00 4.12 H new ATOM 0 HB3 LYS A 109 2.292 -7.298 -8.777 1.00 4.12 H new ATOM 0 HG2 LYS A 109 3.378 -7.877 -10.968 1.00 10.12 H new ATOM 0 HG3 LYS A 109 4.941 -7.523 -10.260 1.00 10.12 H new ATOM 0 HD2 LYS A 109 2.992 -9.697 -9.380 1.00 51.22 H new ATOM 0 HD3 LYS A 109 4.543 -9.934 -10.161 1.00 51.22 H new ATOM 0 HE2 LYS A 109 5.673 -8.882 -8.186 1.00 61.23 H new ATOM 0 HE3 LYS A 109 4.114 -8.712 -7.404 1.00 61.23 H new ATOM 0 HZ1 LYS A 109 5.093 -10.667 -6.570 1.00 54.23 H new ATOM 0 HZ2 LYS A 109 3.879 -11.187 -7.638 1.00 54.23 H new ATOM 0 HZ3 LYS A 109 5.508 -11.234 -8.116 1.00 54.23 H new ATOM 1722 N VAL A 110 3.144 -4.225 -7.492 1.00 72.53 N ATOM 1723 CA VAL A 110 2.615 -3.403 -6.400 1.00 31.50 C ATOM 1724 C VAL A 110 2.014 -2.092 -6.929 1.00 31.13 C ATOM 1725 O VAL A 110 0.862 -1.768 -6.649 1.00 53.21 O ATOM 1726 CB VAL A 110 3.720 -3.067 -5.366 1.00 61.01 C ATOM 1727 CG1 VAL A 110 3.147 -2.287 -4.184 1.00 25.15 C ATOM 1728 CG2 VAL A 110 4.423 -4.338 -4.893 1.00 70.23 C ATOM 0 H VAL A 110 4.132 -4.459 -7.396 1.00 72.53 H new ATOM 0 HA VAL A 110 1.832 -3.987 -5.916 1.00 31.50 H new ATOM 0 HB VAL A 110 4.459 -2.433 -5.856 1.00 61.01 H new ATOM 0 HG11 VAL A 110 3.944 -2.065 -3.474 1.00 25.15 H new ATOM 0 HG12 VAL A 110 2.709 -1.355 -4.541 1.00 25.15 H new ATOM 0 HG13 VAL A 110 2.379 -2.884 -3.692 1.00 25.15 H new ATOM 0 HG21 VAL A 110 5.195 -4.079 -4.168 1.00 70.23 H new ATOM 0 HG22 VAL A 110 3.696 -5.004 -4.427 1.00 70.23 H new ATOM 0 HG23 VAL A 110 4.880 -4.840 -5.746 1.00 70.23 H new ATOM 1738 N LEU A 111 2.804 -1.355 -7.709 1.00 25.20 N ATOM 1739 CA LEU A 111 2.371 -0.074 -8.274 1.00 30.52 C ATOM 1740 C LEU A 111 1.112 -0.247 -9.141 1.00 25.42 C ATOM 1741 O LEU A 111 0.174 0.546 -9.055 1.00 61.13 O ATOM 1742 CB LEU A 111 3.509 0.546 -9.101 1.00 34.34 C ATOM 1743 CG LEU A 111 3.263 1.982 -9.594 1.00 34.45 C ATOM 1744 CD1 LEU A 111 3.039 2.929 -8.418 1.00 42.13 C ATOM 1745 CD2 LEU A 111 4.430 2.460 -10.456 1.00 44.54 C ATOM 0 H LEU A 111 3.754 -1.624 -7.966 1.00 25.20 H new ATOM 0 HA LEU A 111 2.121 0.596 -7.451 1.00 30.52 H new ATOM 0 HB2 LEU A 111 4.418 0.538 -8.499 1.00 34.34 H new ATOM 0 HB3 LEU A 111 3.694 -0.090 -9.967 1.00 34.34 H new ATOM 0 HG LEU A 111 2.361 1.982 -10.205 1.00 34.45 H new ATOM 0 HD11 LEU A 111 2.867 3.939 -8.791 1.00 42.13 H new ATOM 0 HD12 LEU A 111 2.171 2.601 -7.847 1.00 42.13 H new ATOM 0 HD13 LEU A 111 3.919 2.925 -7.775 1.00 42.13 H new ATOM 0 HD21 LEU A 111 4.238 3.478 -10.796 1.00 44.54 H new ATOM 0 HD22 LEU A 111 5.348 2.440 -9.869 1.00 44.54 H new ATOM 0 HD23 LEU A 111 4.537 1.803 -11.319 1.00 44.54 H new ATOM 1757 N SER A 112 1.100 -1.292 -9.967 1.00 34.30 N ATOM 1758 CA SER A 112 -0.067 -1.608 -10.805 1.00 35.11 C ATOM 1759 C SER A 112 -1.309 -1.884 -9.944 1.00 23.44 C ATOM 1760 O SER A 112 -2.397 -1.378 -10.224 1.00 3.24 O ATOM 1761 CB SER A 112 0.229 -2.819 -11.703 1.00 61.23 C ATOM 1762 OG SER A 112 1.328 -2.561 -12.565 1.00 51.32 O ATOM 0 H SER A 112 1.882 -1.937 -10.077 1.00 34.30 H new ATOM 0 HA SER A 112 -0.271 -0.741 -11.433 1.00 35.11 H new ATOM 0 HB2 SER A 112 0.445 -3.690 -11.084 1.00 61.23 H new ATOM 0 HB3 SER A 112 -0.653 -3.060 -12.296 1.00 61.23 H new ATOM 0 HG SER A 112 2.166 -2.686 -12.073 1.00 51.32 H new ATOM 1768 N SER A 113 -1.131 -2.679 -8.888 1.00 2.23 N ATOM 1769 CA SER A 113 -2.224 -2.994 -7.956 1.00 62.41 C ATOM 1770 C SER A 113 -2.721 -1.728 -7.238 1.00 52.45 C ATOM 1771 O SER A 113 -3.916 -1.569 -7.000 1.00 15.23 O ATOM 1772 CB SER A 113 -1.767 -4.039 -6.927 1.00 33.41 C ATOM 1773 OG SER A 113 -2.838 -4.447 -6.087 1.00 43.04 O ATOM 0 H SER A 113 -0.241 -3.119 -8.653 1.00 2.23 H new ATOM 0 HA SER A 113 -3.051 -3.405 -8.535 1.00 62.41 H new ATOM 0 HB2 SER A 113 -1.359 -4.907 -7.445 1.00 33.41 H new ATOM 0 HB3 SER A 113 -0.964 -3.624 -6.318 1.00 33.41 H new ATOM 0 HG SER A 113 -3.275 -5.234 -6.473 1.00 43.04 H new ATOM 1779 N LEU A 114 -1.797 -0.821 -6.909 1.00 73.13 N ATOM 1780 CA LEU A 114 -2.153 0.468 -6.299 1.00 51.32 C ATOM 1781 C LEU A 114 -2.999 1.319 -7.259 1.00 20.13 C ATOM 1782 O LEU A 114 -3.984 1.942 -6.854 1.00 75.23 O ATOM 1783 CB LEU A 114 -0.890 1.245 -5.897 1.00 41.53 C ATOM 1784 CG LEU A 114 -0.029 0.589 -4.804 1.00 40.11 C ATOM 1785 CD1 LEU A 114 1.237 1.407 -4.550 1.00 34.03 C ATOM 1786 CD2 LEU A 114 -0.830 0.416 -3.515 1.00 11.11 C ATOM 0 H LEU A 114 -0.796 -0.953 -7.054 1.00 73.13 H new ATOM 0 HA LEU A 114 -2.742 0.259 -5.406 1.00 51.32 H new ATOM 0 HB2 LEU A 114 -0.274 1.386 -6.785 1.00 41.53 H new ATOM 0 HB3 LEU A 114 -1.188 2.236 -5.555 1.00 41.53 H new ATOM 0 HG LEU A 114 0.269 -0.400 -5.153 1.00 40.11 H new ATOM 0 HD11 LEU A 114 1.832 0.926 -3.774 1.00 34.03 H new ATOM 0 HD12 LEU A 114 1.821 1.469 -5.468 1.00 34.03 H new ATOM 0 HD13 LEU A 114 0.963 2.411 -4.227 1.00 34.03 H new ATOM 0 HD21 LEU A 114 -0.202 -0.050 -2.756 1.00 11.11 H new ATOM 0 HD22 LEU A 114 -1.165 1.391 -3.161 1.00 11.11 H new ATOM 0 HD23 LEU A 114 -1.696 -0.217 -3.707 1.00 11.11 H new ATOM 1798 N VAL A 115 -2.606 1.348 -8.534 1.00 2.34 N ATOM 1799 CA VAL A 115 -3.384 2.043 -9.565 1.00 51.01 C ATOM 1800 C VAL A 115 -4.802 1.455 -9.668 1.00 74.13 C ATOM 1801 O VAL A 115 -5.791 2.192 -9.731 1.00 43.42 O ATOM 1802 CB VAL A 115 -2.686 1.974 -10.951 1.00 61.13 C ATOM 1803 CG1 VAL A 115 -3.564 2.598 -12.038 1.00 4.44 C ATOM 1804 CG2 VAL A 115 -1.320 2.663 -10.906 1.00 31.04 C ATOM 0 H VAL A 115 -1.757 0.900 -8.878 1.00 2.34 H new ATOM 0 HA VAL A 115 -3.452 3.089 -9.267 1.00 51.01 H new ATOM 0 HB VAL A 115 -2.534 0.923 -11.197 1.00 61.13 H new ATOM 0 HG11 VAL A 115 -3.052 2.537 -12.999 1.00 4.44 H new ATOM 0 HG12 VAL A 115 -4.510 2.059 -12.096 1.00 4.44 H new ATOM 0 HG13 VAL A 115 -3.756 3.643 -11.795 1.00 4.44 H new ATOM 0 HG21 VAL A 115 -0.849 2.602 -11.887 1.00 31.04 H new ATOM 0 HG22 VAL A 115 -1.449 3.709 -10.629 1.00 31.04 H new ATOM 0 HG23 VAL A 115 -0.687 2.168 -10.169 1.00 31.04 H new ATOM 1814 N THR A 116 -4.893 0.124 -9.669 1.00 54.22 N ATOM 1815 CA THR A 116 -6.191 -0.566 -9.650 1.00 44.52 C ATOM 1816 C THR A 116 -6.987 -0.213 -8.390 1.00 40.12 C ATOM 1817 O THR A 116 -8.191 0.023 -8.455 1.00 14.10 O ATOM 1818 CB THR A 116 -6.040 -2.104 -9.710 1.00 52.42 C ATOM 1819 OG1 THR A 116 -5.349 -2.498 -10.906 1.00 13.44 O ATOM 1820 CG2 THR A 116 -7.409 -2.787 -9.661 1.00 13.23 C ATOM 0 H THR A 116 -4.086 -0.500 -9.683 1.00 54.22 H new ATOM 0 HA THR A 116 -6.722 -0.226 -10.539 1.00 44.52 H new ATOM 0 HB THR A 116 -5.458 -2.416 -8.843 1.00 52.42 H new ATOM 0 HG1 THR A 116 -5.253 -3.473 -10.922 1.00 13.44 H new ATOM 0 HG21 THR A 116 -7.278 -3.868 -9.705 1.00 13.23 H new ATOM 0 HG22 THR A 116 -7.916 -2.520 -8.734 1.00 13.23 H new ATOM 0 HG23 THR A 116 -8.009 -2.460 -10.510 1.00 13.23 H new ATOM 1828 N LEU A 117 -6.302 -0.185 -7.246 1.00 32.41 N ATOM 1829 CA LEU A 117 -6.921 0.164 -5.961 1.00 54.21 C ATOM 1830 C LEU A 117 -7.687 1.496 -6.052 1.00 12.04 C ATOM 1831 O LEU A 117 -8.762 1.658 -5.469 1.00 42.02 O ATOM 1832 CB LEU A 117 -5.842 0.247 -4.874 1.00 62.44 C ATOM 1833 CG LEU A 117 -6.348 0.543 -3.453 1.00 55.01 C ATOM 1834 CD1 LEU A 117 -7.267 -0.571 -2.962 1.00 22.33 C ATOM 1835 CD2 LEU A 117 -5.177 0.738 -2.497 1.00 12.14 C ATOM 0 H LEU A 117 -5.307 -0.402 -7.181 1.00 32.41 H new ATOM 0 HA LEU A 117 -7.638 -0.615 -5.703 1.00 54.21 H new ATOM 0 HB2 LEU A 117 -5.297 -0.697 -4.856 1.00 62.44 H new ATOM 0 HB3 LEU A 117 -5.129 1.022 -5.155 1.00 62.44 H new ATOM 0 HG LEU A 117 -6.924 1.468 -3.482 1.00 55.01 H new ATOM 0 HD11 LEU A 117 -7.613 -0.340 -1.954 1.00 22.33 H new ATOM 0 HD12 LEU A 117 -8.125 -0.656 -3.629 1.00 22.33 H new ATOM 0 HD13 LEU A 117 -6.721 -1.514 -2.951 1.00 22.33 H new ATOM 0 HD21 LEU A 117 -5.555 0.947 -1.496 1.00 12.14 H new ATOM 0 HD22 LEU A 117 -4.571 -0.168 -2.474 1.00 12.14 H new ATOM 0 HD23 LEU A 117 -4.566 1.575 -2.836 1.00 12.14 H new ATOM 1847 N ASN A 118 -7.123 2.448 -6.795 1.00 62.01 N ATOM 1848 CA ASN A 118 -7.790 3.727 -7.055 1.00 61.33 C ATOM 1849 C ASN A 118 -8.943 3.556 -8.063 1.00 12.22 C ATOM 1850 O ASN A 118 -10.017 4.119 -7.885 1.00 41.13 O ATOM 1851 CB ASN A 118 -6.776 4.761 -7.572 1.00 12.21 C ATOM 1852 CG ASN A 118 -7.418 6.107 -7.871 1.00 42.13 C ATOM 1853 OD1 ASN A 118 -7.845 6.369 -8.988 1.00 32.22 O ATOM 1854 ND2 ASN A 118 -7.490 6.974 -6.879 1.00 72.33 N ATOM 0 H ASN A 118 -6.204 2.359 -7.229 1.00 62.01 H new ATOM 0 HA ASN A 118 -8.213 4.086 -6.117 1.00 61.33 H new ATOM 0 HB2 ASN A 118 -5.988 4.895 -6.831 1.00 12.21 H new ATOM 0 HB3 ASN A 118 -6.302 4.379 -8.476 1.00 12.21 H new ATOM 0 HD21 ASN A 118 -7.910 7.891 -7.032 1.00 72.33 H new ATOM 0 HD22 ASN A 118 -7.126 6.727 -5.959 1.00 72.33 H new ATOM 1861 N LYS A 119 -8.716 2.762 -9.113 1.00 43.21 N ATOM 1862 CA LYS A 119 -9.737 2.520 -10.150 1.00 62.21 C ATOM 1863 C LYS A 119 -11.021 1.888 -9.570 1.00 64.04 C ATOM 1864 O LYS A 119 -12.128 2.394 -9.779 1.00 21.24 O ATOM 1865 CB LYS A 119 -9.168 1.608 -11.254 1.00 23.31 C ATOM 1866 CG LYS A 119 -8.029 2.235 -12.057 1.00 3.53 C ATOM 1867 CD LYS A 119 -7.383 1.229 -13.012 1.00 51.33 C ATOM 1868 CE LYS A 119 -8.376 0.662 -14.023 1.00 11.42 C ATOM 1869 NZ LYS A 119 -8.915 1.707 -14.932 1.00 43.13 N ATOM 0 H LYS A 119 -7.835 2.273 -9.272 1.00 43.21 H new ATOM 0 HA LYS A 119 -10.003 3.490 -10.570 1.00 62.21 H new ATOM 0 HB2 LYS A 119 -8.811 0.684 -10.799 1.00 23.31 H new ATOM 0 HB3 LYS A 119 -9.973 1.337 -11.937 1.00 23.31 H new ATOM 0 HG2 LYS A 119 -8.410 3.083 -12.626 1.00 3.53 H new ATOM 0 HG3 LYS A 119 -7.274 2.623 -11.374 1.00 3.53 H new ATOM 0 HD2 LYS A 119 -6.564 1.713 -13.544 1.00 51.33 H new ATOM 0 HD3 LYS A 119 -6.950 0.412 -12.435 1.00 51.33 H new ATOM 0 HE2 LYS A 119 -7.887 -0.113 -14.613 1.00 11.42 H new ATOM 0 HE3 LYS A 119 -9.200 0.186 -13.492 1.00 11.42 H new ATOM 0 HZ1 LYS A 119 -9.532 1.264 -15.643 1.00 43.13 H new ATOM 0 HZ2 LYS A 119 -9.463 2.398 -14.380 1.00 43.13 H new ATOM 0 HZ3 LYS A 119 -8.128 2.191 -15.410 1.00 43.13 H new ATOM 1883 N VAL A 120 -10.859 0.785 -8.843 1.00 10.13 N ATOM 1884 CA VAL A 120 -11.993 0.037 -8.279 1.00 1.55 C ATOM 1885 C VAL A 120 -12.825 0.880 -7.295 1.00 3.41 C ATOM 1886 O VAL A 120 -14.036 0.683 -7.159 1.00 74.12 O ATOM 1887 CB VAL A 120 -11.513 -1.256 -7.566 1.00 41.50 C ATOM 1888 CG1 VAL A 120 -10.887 -2.229 -8.562 1.00 65.44 C ATOM 1889 CG2 VAL A 120 -10.526 -0.927 -6.444 1.00 25.00 C ATOM 0 H VAL A 120 -9.947 0.382 -8.626 1.00 10.13 H new ATOM 0 HA VAL A 120 -12.630 -0.227 -9.123 1.00 1.55 H new ATOM 0 HB VAL A 120 -12.386 -1.736 -7.123 1.00 41.50 H new ATOM 0 HG11 VAL A 120 -10.559 -3.126 -8.037 1.00 65.44 H new ATOM 0 HG12 VAL A 120 -11.624 -2.500 -9.318 1.00 65.44 H new ATOM 0 HG13 VAL A 120 -10.030 -1.757 -9.043 1.00 65.44 H new ATOM 0 HG21 VAL A 120 -10.205 -1.849 -5.960 1.00 25.00 H new ATOM 0 HG22 VAL A 120 -9.659 -0.415 -6.861 1.00 25.00 H new ATOM 0 HG23 VAL A 120 -11.010 -0.282 -5.711 1.00 25.00 H new ATOM 1899 N THR A 121 -12.179 1.816 -6.610 1.00 61.43 N ATOM 1900 CA THR A 121 -12.873 2.695 -5.661 1.00 22.51 C ATOM 1901 C THR A 121 -13.413 3.958 -6.348 1.00 71.32 C ATOM 1902 O THR A 121 -14.465 4.478 -5.970 1.00 41.24 O ATOM 1903 CB THR A 121 -11.955 3.100 -4.487 1.00 25.22 C ATOM 1904 OG1 THR A 121 -10.746 3.691 -4.989 1.00 73.05 O ATOM 1905 CG2 THR A 121 -11.619 1.889 -3.620 1.00 10.34 C ATOM 0 H THR A 121 -11.177 1.990 -6.690 1.00 61.43 H new ATOM 0 HA THR A 121 -13.714 2.124 -5.269 1.00 22.51 H new ATOM 0 HB THR A 121 -12.484 3.829 -3.873 1.00 25.22 H new ATOM 0 HG1 THR A 121 -10.080 2.990 -5.147 1.00 73.05 H new ATOM 0 HG21 THR A 121 -10.971 2.198 -2.799 1.00 10.34 H new ATOM 0 HG22 THR A 121 -12.538 1.464 -3.217 1.00 10.34 H new ATOM 0 HG23 THR A 121 -11.107 1.140 -4.224 1.00 10.34 H new ATOM 1913 N ALA A 122 -12.700 4.439 -7.365 1.00 5.23 N ATOM 1914 CA ALA A 122 -13.162 5.579 -8.169 1.00 10.53 C ATOM 1915 C ALA A 122 -14.508 5.272 -8.843 1.00 74.14 C ATOM 1916 O ALA A 122 -15.290 6.180 -9.139 1.00 13.32 O ATOM 1917 CB ALA A 122 -12.116 5.950 -9.217 1.00 20.15 C ATOM 0 H ALA A 122 -11.799 4.060 -7.655 1.00 5.23 H new ATOM 0 HA ALA A 122 -13.305 6.427 -7.500 1.00 10.53 H new ATOM 0 HB1 ALA A 122 -12.473 6.796 -9.804 1.00 20.15 H new ATOM 0 HB2 ALA A 122 -11.184 6.220 -8.721 1.00 20.15 H new ATOM 0 HB3 ALA A 122 -11.943 5.099 -9.875 1.00 20.15 H new ATOM 1923 N ASP A 123 -14.761 3.981 -9.078 1.00 1.42 N ATOM 1924 CA ASP A 123 -16.045 3.507 -9.612 1.00 62.33 C ATOM 1925 C ASP A 123 -17.215 3.928 -8.699 1.00 65.43 C ATOM 1926 O ASP A 123 -18.300 4.270 -9.174 1.00 3.03 O ATOM 1927 CB ASP A 123 -15.999 1.978 -9.749 1.00 33.04 C ATOM 1928 CG ASP A 123 -17.262 1.391 -10.358 1.00 13.53 C ATOM 1929 OD1 ASP A 123 -18.229 1.141 -9.612 1.00 15.30 O ATOM 1930 OD2 ASP A 123 -17.285 1.160 -11.585 1.00 50.45 O ATOM 0 H ASP A 123 -14.086 3.236 -8.905 1.00 1.42 H new ATOM 0 HA ASP A 123 -16.209 3.959 -10.590 1.00 62.33 H new ATOM 0 HB2 ASP A 123 -15.144 1.701 -10.366 1.00 33.04 H new ATOM 0 HB3 ASP A 123 -15.839 1.537 -8.765 1.00 33.04 H new