USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 878 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot -24:sc= 0.0575 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 17 THR OG1 : rot 75:sc= 1.31 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= -0.715 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -0.0391 (180deg=-0.201) USER MOD Single : A 32 LYS NZ :NH3+ 165:sc= -0.0383 (180deg=-0.256) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 72:sc= 0.586 USER MOD Single : A 42 GLN : amide:sc= 0.232 K(o=0.23,f=-1.6) USER MOD Single : A 44 SER OG : rot -78:sc= 0.392 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 58:sc= 0.123 USER MOD Single : A 62 THR OG1 : rot 73:sc= -0.215 USER MOD Single : A 65 LYS NZ :NH3+ -143:sc= -0.957! (180deg=-5.17!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -148:sc= -3.98! USER MOD Single : A 78 SER OG : rot 67:sc= 1.27 USER MOD Single : A 79 ASN : amide:sc= 2.08 K(o=2.1,f=-5.8!) USER MOD Single : A 87 CYS SG : rot 162:sc= -1.91 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 37:sc= 0.135 USER MOD Single : A 99 ASN : amide:sc= 0.821 K(o=0.82,f=-0.6) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.62) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 106 ASN : amide:sc= 0.5 K(o=0.5,f=0) USER MOD Single : A 108 ASN : amide:sc= -1.12 K(o=-1.1,f=-8.9!) USER MOD Single : A 109 LYS NZ :NH3+ -142:sc= 1.08 (180deg=-0.163) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 94:sc= 0.821 USER MOD Single : A 116 THR OG1 : rot 75:sc= 0.505 USER MOD Single : A 118 ASN : amide:sc= 1.26 K(o=1.3,f=-0.079) USER MOD Single : A 119 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0586) USER MOD Single : A 121 THR OG1 : rot -79:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 195 N SER A 13 2.662 6.577 -13.176 1.00 74.32 N ATOM 196 CA SER A 13 1.661 6.078 -12.224 1.00 64.33 C ATOM 197 C SER A 13 2.194 6.069 -10.785 1.00 70.31 C ATOM 198 O SER A 13 1.430 6.187 -9.829 1.00 73.22 O ATOM 199 CB SER A 13 1.216 4.663 -12.620 1.00 55.55 C ATOM 200 OG SER A 13 2.318 3.765 -12.663 1.00 43.31 O ATOM 0 HA SER A 13 0.808 6.756 -12.260 1.00 64.33 H new ATOM 0 HB2 SER A 13 0.476 4.300 -11.907 1.00 55.55 H new ATOM 0 HB3 SER A 13 0.730 4.692 -13.595 1.00 55.55 H new ATOM 0 HG SER A 13 3.144 4.268 -12.821 1.00 43.31 H new ATOM 206 N ALA A 14 3.506 5.935 -10.635 1.00 12.23 N ATOM 207 CA ALA A 14 4.137 5.939 -9.313 1.00 52.31 C ATOM 208 C ALA A 14 4.022 7.311 -8.623 1.00 34.30 C ATOM 209 O ALA A 14 3.724 7.394 -7.430 1.00 3.40 O ATOM 210 CB ALA A 14 5.598 5.521 -9.430 1.00 24.35 C ATOM 0 H ALA A 14 4.158 5.822 -11.411 1.00 12.23 H new ATOM 0 HA ALA A 14 3.606 5.219 -8.690 1.00 52.31 H new ATOM 0 HB1 ALA A 14 6.058 5.527 -8.442 1.00 24.35 H new ATOM 0 HB2 ALA A 14 5.657 4.518 -9.852 1.00 24.35 H new ATOM 0 HB3 ALA A 14 6.125 6.219 -10.080 1.00 24.35 H new ATOM 216 N GLU A 15 4.241 8.383 -9.381 1.00 65.52 N ATOM 217 CA GLU A 15 4.240 9.737 -8.815 1.00 35.05 C ATOM 218 C GLU A 15 2.831 10.187 -8.393 1.00 21.14 C ATOM 219 O GLU A 15 2.662 10.810 -7.340 1.00 23.23 O ATOM 220 CB GLU A 15 4.853 10.740 -9.805 1.00 13.13 C ATOM 221 CG GLU A 15 6.309 10.434 -10.151 1.00 51.13 C ATOM 222 CD GLU A 15 7.002 11.573 -10.884 1.00 0.22 C ATOM 223 OE1 GLU A 15 6.921 11.631 -12.129 1.00 1.41 O ATOM 224 OE2 GLU A 15 7.643 12.411 -10.215 1.00 42.32 O ATOM 0 H GLU A 15 4.421 8.345 -10.384 1.00 65.52 H new ATOM 0 HA GLU A 15 4.855 9.710 -7.915 1.00 35.05 H new ATOM 0 HB2 GLU A 15 4.262 10.743 -10.721 1.00 13.13 H new ATOM 0 HB3 GLU A 15 4.790 11.742 -9.382 1.00 13.13 H new ATOM 0 HG2 GLU A 15 6.856 10.215 -9.234 1.00 51.13 H new ATOM 0 HG3 GLU A 15 6.348 9.536 -10.768 1.00 51.13 H new ATOM 231 N GLN A 16 1.817 9.868 -9.204 1.00 43.45 N ATOM 232 CA GLN A 16 0.429 10.180 -8.837 1.00 54.12 C ATOM 233 C GLN A 16 0.019 9.412 -7.570 1.00 52.35 C ATOM 234 O GLN A 16 -0.707 9.934 -6.720 1.00 32.45 O ATOM 235 CB GLN A 16 -0.544 9.862 -9.989 1.00 32.30 C ATOM 236 CG GLN A 16 -0.653 8.380 -10.334 1.00 21.31 C ATOM 237 CD GLN A 16 -1.691 8.091 -11.408 1.00 21.42 C ATOM 238 OE1 GLN A 16 -1.953 8.914 -12.280 1.00 61.13 O ATOM 239 NE2 GLN A 16 -2.299 6.924 -11.349 1.00 22.10 N ATOM 0 H GLN A 16 1.926 9.402 -10.105 1.00 43.45 H new ATOM 0 HA GLN A 16 0.375 11.250 -8.635 1.00 54.12 H new ATOM 0 HB2 GLN A 16 -1.534 10.234 -9.725 1.00 32.30 H new ATOM 0 HB3 GLN A 16 -0.225 10.407 -10.878 1.00 32.30 H new ATOM 0 HG2 GLN A 16 0.319 8.019 -10.670 1.00 21.31 H new ATOM 0 HG3 GLN A 16 -0.906 7.821 -9.433 1.00 21.31 H new ATOM 0 HE21 GLN A 16 -2.059 6.261 -10.612 1.00 22.10 H new ATOM 0 HE22 GLN A 16 -3.009 6.684 -12.040 1.00 22.10 H new ATOM 248 N THR A 17 0.506 8.173 -7.445 1.00 2.42 N ATOM 249 CA THR A 17 0.241 7.347 -6.255 1.00 63.34 C ATOM 250 C THR A 17 0.804 8.001 -4.987 1.00 12.54 C ATOM 251 O THR A 17 0.154 8.004 -3.943 1.00 40.52 O ATOM 252 CB THR A 17 0.840 5.924 -6.399 1.00 2.34 C ATOM 253 OG1 THR A 17 0.281 5.267 -7.546 1.00 54.41 O ATOM 254 CG2 THR A 17 0.576 5.075 -5.155 1.00 21.15 C ATOM 0 H THR A 17 1.085 7.718 -8.150 1.00 2.42 H new ATOM 0 HA THR A 17 -0.843 7.266 -6.169 1.00 63.34 H new ATOM 0 HB THR A 17 1.918 6.032 -6.521 1.00 2.34 H new ATOM 0 HG1 THR A 17 0.682 5.634 -8.361 1.00 54.41 H new ATOM 0 HG21 THR A 17 1.010 4.084 -5.292 1.00 21.15 H new ATOM 0 HG22 THR A 17 1.028 5.553 -4.286 1.00 21.15 H new ATOM 0 HG23 THR A 17 -0.499 4.982 -4.999 1.00 21.15 H new ATOM 262 N VAL A 18 2.013 8.559 -5.087 1.00 54.21 N ATOM 263 CA VAL A 18 2.625 9.290 -3.965 1.00 33.51 C ATOM 264 C VAL A 18 1.670 10.370 -3.423 1.00 33.44 C ATOM 265 O VAL A 18 1.319 10.374 -2.242 1.00 62.03 O ATOM 266 CB VAL A 18 3.965 9.959 -4.382 1.00 15.20 C ATOM 267 CG1 VAL A 18 4.573 10.743 -3.218 1.00 54.14 C ATOM 268 CG2 VAL A 18 4.957 8.920 -4.912 1.00 14.11 C ATOM 0 H VAL A 18 2.589 8.521 -5.928 1.00 54.21 H new ATOM 0 HA VAL A 18 2.825 8.558 -3.183 1.00 33.51 H new ATOM 0 HB VAL A 18 3.749 10.662 -5.187 1.00 15.20 H new ATOM 0 HG11 VAL A 18 5.509 11.201 -3.537 1.00 54.14 H new ATOM 0 HG12 VAL A 18 3.878 11.521 -2.901 1.00 54.14 H new ATOM 0 HG13 VAL A 18 4.765 10.067 -2.385 1.00 54.14 H new ATOM 0 HG21 VAL A 18 5.885 9.415 -5.196 1.00 14.11 H new ATOM 0 HG22 VAL A 18 5.162 8.183 -4.135 1.00 14.11 H new ATOM 0 HG23 VAL A 18 4.531 8.421 -5.782 1.00 14.11 H new ATOM 278 N THR A 19 1.237 11.269 -4.304 1.00 54.11 N ATOM 279 CA THR A 19 0.305 12.343 -3.927 1.00 32.52 C ATOM 280 C THR A 19 -1.058 11.778 -3.489 1.00 62.34 C ATOM 281 O THR A 19 -1.737 12.354 -2.638 1.00 24.33 O ATOM 282 CB THR A 19 0.103 13.346 -5.090 1.00 60.34 C ATOM 283 OG1 THR A 19 1.369 13.911 -5.472 1.00 35.42 O ATOM 284 CG2 THR A 19 -0.852 14.472 -4.702 1.00 11.01 C ATOM 0 H THR A 19 1.514 11.280 -5.286 1.00 54.11 H new ATOM 0 HA THR A 19 0.752 12.868 -3.083 1.00 32.52 H new ATOM 0 HB THR A 19 -0.333 12.800 -5.926 1.00 60.34 H new ATOM 0 HG1 THR A 19 1.236 14.543 -6.209 1.00 35.42 H new ATOM 0 HG21 THR A 19 -0.969 15.156 -5.543 1.00 11.01 H new ATOM 0 HG22 THR A 19 -1.822 14.051 -4.438 1.00 11.01 H new ATOM 0 HG23 THR A 19 -0.447 15.014 -3.847 1.00 11.01 H new ATOM 292 N TRP A 20 -1.448 10.642 -4.067 1.00 43.41 N ATOM 293 CA TRP A 20 -2.697 9.964 -3.692 1.00 52.42 C ATOM 294 C TRP A 20 -2.661 9.505 -2.221 1.00 73.24 C ATOM 295 O TRP A 20 -3.638 9.661 -1.485 1.00 31.14 O ATOM 296 CB TRP A 20 -2.947 8.770 -4.627 1.00 54.23 C ATOM 297 CG TRP A 20 -4.177 7.975 -4.296 1.00 74.12 C ATOM 298 CD1 TRP A 20 -5.451 8.447 -4.155 1.00 23.13 C ATOM 299 CD2 TRP A 20 -4.245 6.560 -4.081 1.00 3.23 C ATOM 300 NE1 TRP A 20 -6.304 7.414 -3.856 1.00 53.15 N ATOM 301 CE2 TRP A 20 -5.587 6.244 -3.807 1.00 32.24 C ATOM 302 CE3 TRP A 20 -3.297 5.529 -4.093 1.00 54.51 C ATOM 303 CZ2 TRP A 20 -6.005 4.942 -3.544 1.00 33.22 C ATOM 304 CZ3 TRP A 20 -3.714 4.238 -3.834 1.00 33.14 C ATOM 305 CH2 TRP A 20 -5.058 3.954 -3.565 1.00 21.52 C ATOM 0 H TRP A 20 -0.918 10.168 -4.799 1.00 43.41 H new ATOM 0 HA TRP A 20 -3.518 10.673 -3.797 1.00 52.42 H new ATOM 0 HB2 TRP A 20 -3.029 9.136 -5.651 1.00 54.23 H new ATOM 0 HB3 TRP A 20 -2.081 8.109 -4.593 1.00 54.23 H new ATOM 0 HD1 TRP A 20 -5.744 9.481 -4.263 1.00 23.13 H new ATOM 0 HE1 TRP A 20 -7.308 7.501 -3.696 1.00 53.15 H new ATOM 0 HE3 TRP A 20 -2.258 5.740 -4.301 1.00 54.51 H new ATOM 0 HZ2 TRP A 20 -7.040 4.720 -3.331 1.00 33.22 H new ATOM 0 HZ3 TRP A 20 -2.992 3.435 -3.839 1.00 33.14 H new ATOM 0 HH2 TRP A 20 -5.354 2.934 -3.370 1.00 21.52 H new ATOM 316 N LEU A 21 -1.526 8.957 -1.793 1.00 33.34 N ATOM 317 CA LEU A 21 -1.338 8.560 -0.390 1.00 43.42 C ATOM 318 C LEU A 21 -1.378 9.785 0.539 1.00 10.15 C ATOM 319 O LEU A 21 -1.878 9.719 1.667 1.00 13.12 O ATOM 320 CB LEU A 21 -0.003 7.820 -0.221 1.00 51.05 C ATOM 321 CG LEU A 21 0.153 6.537 -1.051 1.00 63.43 C ATOM 322 CD1 LEU A 21 1.529 5.919 -0.830 1.00 3.15 C ATOM 323 CD2 LEU A 21 -0.950 5.536 -0.713 1.00 42.34 C ATOM 0 H LEU A 21 -0.721 8.776 -2.392 1.00 33.34 H new ATOM 0 HA LEU A 21 -2.155 7.892 -0.116 1.00 43.42 H new ATOM 0 HB2 LEU A 21 0.806 8.502 -0.483 1.00 51.05 H new ATOM 0 HB3 LEU A 21 0.122 7.568 0.832 1.00 51.05 H new ATOM 0 HG LEU A 21 0.061 6.799 -2.105 1.00 63.43 H new ATOM 0 HD11 LEU A 21 1.620 5.011 -1.426 1.00 3.15 H new ATOM 0 HD12 LEU A 21 2.299 6.629 -1.130 1.00 3.15 H new ATOM 0 HD13 LEU A 21 1.653 5.674 0.225 1.00 3.15 H new ATOM 0 HD21 LEU A 21 -0.820 4.635 -1.312 1.00 42.34 H new ATOM 0 HD22 LEU A 21 -0.896 5.279 0.345 1.00 42.34 H new ATOM 0 HD23 LEU A 21 -1.922 5.979 -0.930 1.00 42.34 H new ATOM 335 N ILE A 22 -0.857 10.904 0.046 1.00 54.20 N ATOM 336 CA ILE A 22 -0.805 12.149 0.818 1.00 41.25 C ATOM 337 C ILE A 22 -2.198 12.791 0.971 1.00 25.35 C ATOM 338 O ILE A 22 -2.577 13.212 2.065 1.00 64.05 O ATOM 339 CB ILE A 22 0.166 13.158 0.160 1.00 45.52 C ATOM 340 CG1 ILE A 22 1.571 12.538 0.047 1.00 21.40 C ATOM 341 CG2 ILE A 22 0.209 14.462 0.953 1.00 32.30 C ATOM 342 CD1 ILE A 22 2.556 13.383 -0.732 1.00 32.34 C ATOM 0 H ILE A 22 -0.461 10.978 -0.891 1.00 54.20 H new ATOM 0 HA ILE A 22 -0.441 11.893 1.813 1.00 41.25 H new ATOM 0 HB ILE A 22 -0.194 13.389 -0.843 1.00 45.52 H new ATOM 0 HG12 ILE A 22 1.965 12.371 1.050 1.00 21.40 H new ATOM 0 HG13 ILE A 22 1.489 11.561 -0.430 1.00 21.40 H new ATOM 0 HG21 ILE A 22 0.898 15.157 0.473 1.00 32.30 H new ATOM 0 HG22 ILE A 22 -0.788 14.902 0.984 1.00 32.30 H new ATOM 0 HG23 ILE A 22 0.548 14.259 1.969 1.00 32.30 H new ATOM 0 HD11 ILE A 22 3.521 12.878 -0.766 1.00 32.34 H new ATOM 0 HD12 ILE A 22 2.187 13.529 -1.747 1.00 32.34 H new ATOM 0 HD13 ILE A 22 2.670 14.351 -0.244 1.00 32.34 H new ATOM 354 N THR A 23 -2.964 12.855 -0.122 1.00 43.23 N ATOM 355 CA THR A 23 -4.309 13.461 -0.092 1.00 11.15 C ATOM 356 C THR A 23 -5.277 12.676 0.809 1.00 60.24 C ATOM 357 O THR A 23 -6.279 13.219 1.280 1.00 64.44 O ATOM 358 CB THR A 23 -4.925 13.587 -1.514 1.00 22.32 C ATOM 359 OG1 THR A 23 -6.179 14.289 -1.465 1.00 42.43 O ATOM 360 CG2 THR A 23 -5.143 12.220 -2.152 1.00 62.25 C ATOM 0 H THR A 23 -2.683 12.499 -1.036 1.00 43.23 H new ATOM 0 HA THR A 23 -4.173 14.460 0.323 1.00 11.15 H new ATOM 0 HB THR A 23 -4.215 14.148 -2.122 1.00 22.32 H new ATOM 0 HG1 THR A 23 -6.550 14.359 -2.369 1.00 42.43 H new ATOM 0 HG21 THR A 23 -5.575 12.347 -3.145 1.00 62.25 H new ATOM 0 HG22 THR A 23 -4.188 11.701 -2.235 1.00 62.25 H new ATOM 0 HG23 THR A 23 -5.822 11.634 -1.533 1.00 62.25 H new ATOM 368 N LEU A 24 -4.978 11.397 1.041 1.00 71.24 N ATOM 369 CA LEU A 24 -5.777 10.564 1.951 1.00 10.40 C ATOM 370 C LEU A 24 -5.267 10.662 3.401 1.00 42.42 C ATOM 371 O LEU A 24 -5.849 10.076 4.314 1.00 12.51 O ATOM 372 CB LEU A 24 -5.761 9.102 1.481 1.00 52.34 C ATOM 373 CG LEU A 24 -6.476 8.837 0.145 1.00 54.53 C ATOM 374 CD1 LEU A 24 -6.288 7.389 -0.295 1.00 31.11 C ATOM 375 CD2 LEU A 24 -7.962 9.169 0.256 1.00 2.12 C ATOM 0 H LEU A 24 -4.189 10.912 0.613 1.00 71.24 H new ATOM 0 HA LEU A 24 -6.801 10.936 1.932 1.00 10.40 H new ATOM 0 HB2 LEU A 24 -4.724 8.777 1.391 1.00 52.34 H new ATOM 0 HB3 LEU A 24 -6.223 8.484 2.251 1.00 52.34 H new ATOM 0 HG LEU A 24 -6.030 9.485 -0.610 1.00 54.53 H new ATOM 0 HD11 LEU A 24 -6.803 7.227 -1.242 1.00 31.11 H new ATOM 0 HD12 LEU A 24 -5.225 7.182 -0.420 1.00 31.11 H new ATOM 0 HD13 LEU A 24 -6.702 6.722 0.462 1.00 31.11 H new ATOM 0 HD21 LEU A 24 -8.450 8.975 -0.699 1.00 2.12 H new ATOM 0 HD22 LEU A 24 -8.417 8.549 1.029 1.00 2.12 H new ATOM 0 HD23 LEU A 24 -8.081 10.220 0.518 1.00 2.12 H new ATOM 387 N GLY A 25 -4.167 11.391 3.600 1.00 44.43 N ATOM 388 CA GLY A 25 -3.631 11.612 4.944 1.00 62.44 C ATOM 389 C GLY A 25 -2.887 10.409 5.529 1.00 15.23 C ATOM 390 O GLY A 25 -2.397 10.470 6.661 1.00 10.42 O ATOM 0 H GLY A 25 -3.633 11.836 2.853 1.00 44.43 H new ATOM 0 HA2 GLY A 25 -2.954 12.466 4.917 1.00 62.44 H new ATOM 0 HA3 GLY A 25 -4.451 11.877 5.611 1.00 62.44 H new ATOM 394 N VAL A 26 -2.786 9.323 4.762 1.00 51.15 N ATOM 395 CA VAL A 26 -2.127 8.100 5.246 1.00 51.21 C ATOM 396 C VAL A 26 -0.597 8.207 5.157 1.00 54.54 C ATOM 397 O VAL A 26 0.125 7.548 5.905 1.00 22.24 O ATOM 398 CB VAL A 26 -2.605 6.842 4.473 1.00 53.52 C ATOM 399 CG1 VAL A 26 -4.108 6.646 4.648 1.00 64.31 C ATOM 400 CG2 VAL A 26 -2.240 6.929 2.990 1.00 51.31 C ATOM 0 H VAL A 26 -3.147 9.260 3.810 1.00 51.15 H new ATOM 0 HA VAL A 26 -2.411 7.993 6.293 1.00 51.21 H new ATOM 0 HB VAL A 26 -2.091 5.976 4.891 1.00 53.52 H new ATOM 0 HG11 VAL A 26 -4.426 5.759 4.099 1.00 64.31 H new ATOM 0 HG12 VAL A 26 -4.338 6.520 5.706 1.00 64.31 H new ATOM 0 HG13 VAL A 26 -4.636 7.519 4.264 1.00 64.31 H new ATOM 0 HG21 VAL A 26 -2.588 6.033 2.476 1.00 51.31 H new ATOM 0 HG22 VAL A 26 -2.713 7.807 2.550 1.00 51.31 H new ATOM 0 HG23 VAL A 26 -1.158 7.009 2.886 1.00 51.31 H new ATOM 410 N LEU A 27 -0.112 9.049 4.250 1.00 72.11 N ATOM 411 CA LEU A 27 1.327 9.290 4.103 1.00 74.41 C ATOM 412 C LEU A 27 1.626 10.796 4.131 1.00 35.34 C ATOM 413 O LEU A 27 0.914 11.590 3.516 1.00 65.24 O ATOM 414 CB LEU A 27 1.837 8.671 2.794 1.00 41.51 C ATOM 415 CG LEU A 27 3.353 8.796 2.548 1.00 3.11 C ATOM 416 CD1 LEU A 27 4.140 8.076 3.642 1.00 65.01 C ATOM 417 CD2 LEU A 27 3.718 8.257 1.166 1.00 13.23 C ATOM 0 H LEU A 27 -0.694 9.580 3.601 1.00 72.11 H new ATOM 0 HA LEU A 27 1.844 8.820 4.939 1.00 74.41 H new ATOM 0 HB2 LEU A 27 1.571 7.614 2.784 1.00 41.51 H new ATOM 0 HB3 LEU A 27 1.312 9.140 1.962 1.00 41.51 H new ATOM 0 HG LEU A 27 3.621 9.852 2.582 1.00 3.11 H new ATOM 0 HD11 LEU A 27 5.208 8.177 3.448 1.00 65.01 H new ATOM 0 HD12 LEU A 27 3.903 8.517 4.610 1.00 65.01 H new ATOM 0 HD13 LEU A 27 3.871 7.020 3.649 1.00 65.01 H new ATOM 0 HD21 LEU A 27 4.792 8.353 1.010 1.00 13.23 H new ATOM 0 HD22 LEU A 27 3.434 7.207 1.099 1.00 13.23 H new ATOM 0 HD23 LEU A 27 3.188 8.826 0.402 1.00 13.23 H new ATOM 429 N GLU A 28 2.670 11.183 4.857 1.00 71.23 N ATOM 430 CA GLU A 28 3.062 12.597 4.955 1.00 31.42 C ATOM 431 C GLU A 28 3.660 13.117 3.634 1.00 40.20 C ATOM 432 O GLU A 28 4.250 12.359 2.862 1.00 41.13 O ATOM 433 CB GLU A 28 4.080 12.793 6.087 1.00 24.44 C ATOM 434 CG GLU A 28 5.389 12.035 5.878 1.00 35.21 C ATOM 435 CD GLU A 28 6.426 12.343 6.945 1.00 61.33 C ATOM 436 OE1 GLU A 28 6.332 11.777 8.055 1.00 71.34 O ATOM 437 OE2 GLU A 28 7.343 13.148 6.680 1.00 73.31 O ATOM 0 H GLU A 28 3.263 10.544 5.387 1.00 71.23 H new ATOM 0 HA GLU A 28 2.159 13.168 5.170 1.00 31.42 H new ATOM 0 HB2 GLU A 28 4.299 13.856 6.186 1.00 24.44 H new ATOM 0 HB3 GLU A 28 3.631 12.471 7.027 1.00 24.44 H new ATOM 0 HG2 GLU A 28 5.186 10.964 5.874 1.00 35.21 H new ATOM 0 HG3 GLU A 28 5.796 12.286 4.899 1.00 35.21 H new ATOM 444 N SER A 29 3.511 14.416 3.389 1.00 62.12 N ATOM 445 CA SER A 29 4.076 15.050 2.189 1.00 43.42 C ATOM 446 C SER A 29 5.586 15.294 2.358 1.00 53.52 C ATOM 447 O SER A 29 6.051 15.632 3.452 1.00 40.54 O ATOM 448 CB SER A 29 3.357 16.377 1.888 1.00 10.31 C ATOM 449 OG SER A 29 3.776 16.927 0.644 1.00 22.42 O ATOM 0 H SER A 29 3.005 15.055 4.002 1.00 62.12 H new ATOM 0 HA SER A 29 3.927 14.372 1.349 1.00 43.42 H new ATOM 0 HB2 SER A 29 2.280 16.212 1.870 1.00 10.31 H new ATOM 0 HB3 SER A 29 3.557 17.090 2.688 1.00 10.31 H new ATOM 0 HG SER A 29 3.300 17.768 0.481 1.00 22.42 H new ATOM 455 N PRO A 30 6.379 15.120 1.282 1.00 52.13 N ATOM 456 CA PRO A 30 7.844 15.281 1.341 1.00 22.03 C ATOM 457 C PRO A 30 8.295 16.744 1.503 1.00 43.13 C ATOM 458 O PRO A 30 7.485 17.671 1.457 1.00 21.41 O ATOM 459 CB PRO A 30 8.307 14.723 -0.011 1.00 23.21 C ATOM 460 CG PRO A 30 7.148 14.951 -0.921 1.00 2.31 C ATOM 461 CD PRO A 30 5.920 14.752 -0.074 1.00 21.14 C ATOM 0 HA PRO A 30 8.267 14.774 2.208 1.00 22.03 H new ATOM 0 HB2 PRO A 30 9.200 15.236 -0.368 1.00 23.21 H new ATOM 0 HB3 PRO A 30 8.555 13.664 0.060 1.00 23.21 H new ATOM 0 HG2 PRO A 30 7.174 15.955 -1.344 1.00 2.31 H new ATOM 0 HG3 PRO A 30 7.164 14.253 -1.758 1.00 2.31 H new ATOM 0 HD2 PRO A 30 5.096 15.384 -0.405 1.00 21.14 H new ATOM 0 HD3 PRO A 30 5.567 13.722 -0.113 1.00 21.14 H new ATOM 469 N LYS A 31 9.600 16.939 1.688 1.00 20.12 N ATOM 470 CA LYS A 31 10.174 18.280 1.845 1.00 50.14 C ATOM 471 C LYS A 31 10.532 18.900 0.484 1.00 73.11 C ATOM 472 O LYS A 31 10.504 20.122 0.321 1.00 11.02 O ATOM 473 CB LYS A 31 11.423 18.232 2.748 1.00 2.51 C ATOM 474 CG LYS A 31 11.120 18.043 4.239 1.00 13.42 C ATOM 475 CD LYS A 31 10.485 16.688 4.556 1.00 10.43 C ATOM 476 CE LYS A 31 11.445 15.521 4.328 1.00 12.54 C ATOM 477 NZ LYS A 31 12.665 15.618 5.177 1.00 13.21 N ATOM 0 H LYS A 31 10.284 16.184 1.733 1.00 20.12 H new ATOM 0 HA LYS A 31 9.418 18.909 2.316 1.00 50.14 H new ATOM 0 HB2 LYS A 31 12.066 17.418 2.414 1.00 2.51 H new ATOM 0 HB3 LYS A 31 11.986 19.156 2.618 1.00 2.51 H new ATOM 0 HG2 LYS A 31 12.044 18.146 4.807 1.00 13.42 H new ATOM 0 HG3 LYS A 31 10.452 18.837 4.571 1.00 13.42 H new ATOM 0 HD2 LYS A 31 10.151 16.681 5.594 1.00 10.43 H new ATOM 0 HD3 LYS A 31 9.600 16.552 3.935 1.00 10.43 H new ATOM 0 HE2 LYS A 31 10.931 14.584 4.541 1.00 12.54 H new ATOM 0 HE3 LYS A 31 11.737 15.493 3.278 1.00 12.54 H new ATOM 0 HZ1 LYS A 31 13.175 14.712 5.156 1.00 13.21 H new ATOM 0 HZ2 LYS A 31 13.282 16.372 4.813 1.00 13.21 H new ATOM 0 HZ3 LYS A 31 12.390 15.838 6.156 1.00 13.21 H new ATOM 491 N LYS A 32 10.871 18.051 -0.489 1.00 2.53 N ATOM 492 CA LYS A 32 11.214 18.505 -1.846 1.00 24.24 C ATOM 493 C LYS A 32 10.657 17.554 -2.921 1.00 13.21 C ATOM 494 O LYS A 32 9.871 16.650 -2.630 1.00 2.32 O ATOM 495 CB LYS A 32 12.742 18.627 -2.001 1.00 72.44 C ATOM 496 CG LYS A 32 13.362 19.802 -1.244 1.00 75.44 C ATOM 497 CD LYS A 32 12.827 21.146 -1.744 1.00 74.12 C ATOM 498 CE LYS A 32 13.528 22.325 -1.079 1.00 35.10 C ATOM 499 NZ LYS A 32 14.980 22.358 -1.396 1.00 61.22 N ATOM 0 H LYS A 32 10.916 17.040 -0.365 1.00 2.53 H new ATOM 0 HA LYS A 32 10.756 19.484 -1.989 1.00 24.24 H new ATOM 0 HB2 LYS A 32 13.205 17.703 -1.655 1.00 72.44 H new ATOM 0 HB3 LYS A 32 12.981 18.726 -3.060 1.00 72.44 H new ATOM 0 HG2 LYS A 32 13.151 19.700 -0.179 1.00 75.44 H new ATOM 0 HG3 LYS A 32 14.446 19.777 -1.358 1.00 75.44 H new ATOM 0 HD2 LYS A 32 12.958 21.209 -2.824 1.00 74.12 H new ATOM 0 HD3 LYS A 32 11.756 21.205 -1.549 1.00 74.12 H new ATOM 0 HE2 LYS A 32 13.064 23.255 -1.407 1.00 35.10 H new ATOM 0 HE3 LYS A 32 13.394 22.265 0.001 1.00 35.10 H new ATOM 0 HZ1 LYS A 32 15.369 23.290 -1.147 1.00 61.22 H new ATOM 0 HZ2 LYS A 32 15.471 21.621 -0.850 1.00 61.22 H new ATOM 0 HZ3 LYS A 32 15.117 22.186 -2.412 1.00 61.22 H new ATOM 513 N THR A 33 11.065 17.781 -4.169 1.00 21.02 N ATOM 514 CA THR A 33 10.630 16.955 -5.302 1.00 61.30 C ATOM 515 C THR A 33 11.125 15.503 -5.191 1.00 14.41 C ATOM 516 O THR A 33 12.327 15.253 -5.098 1.00 3.20 O ATOM 517 CB THR A 33 11.128 17.553 -6.642 1.00 74.32 C ATOM 518 OG1 THR A 33 10.633 18.892 -6.797 1.00 11.33 O ATOM 519 CG2 THR A 33 10.681 16.709 -7.830 1.00 61.03 C ATOM 0 H THR A 33 11.701 18.536 -4.425 1.00 21.02 H new ATOM 0 HA THR A 33 9.540 16.950 -5.278 1.00 61.30 H new ATOM 0 HB THR A 33 12.218 17.561 -6.616 1.00 74.32 H new ATOM 0 HG1 THR A 33 10.954 19.263 -7.645 1.00 11.33 H new ATOM 0 HG21 THR A 33 11.048 17.157 -8.753 1.00 61.03 H new ATOM 0 HG22 THR A 33 11.083 15.701 -7.732 1.00 61.03 H new ATOM 0 HG23 THR A 33 9.592 16.665 -7.856 1.00 61.03 H new ATOM 527 N ILE A 34 10.189 14.552 -5.199 1.00 10.42 N ATOM 528 CA ILE A 34 10.529 13.120 -5.165 1.00 12.45 C ATOM 529 C ILE A 34 11.350 12.709 -6.402 1.00 50.30 C ATOM 530 O ILE A 34 10.843 12.723 -7.530 1.00 61.33 O ATOM 531 CB ILE A 34 9.252 12.237 -5.080 1.00 63.51 C ATOM 532 CG1 ILE A 34 8.440 12.572 -3.816 1.00 53.23 C ATOM 533 CG2 ILE A 34 9.614 10.750 -5.108 1.00 74.31 C ATOM 534 CD1 ILE A 34 9.173 12.283 -2.519 1.00 45.34 C ATOM 0 H ILE A 34 9.188 14.743 -5.229 1.00 10.42 H new ATOM 0 HA ILE A 34 11.131 12.960 -4.271 1.00 12.45 H new ATOM 0 HB ILE A 34 8.634 12.454 -5.952 1.00 63.51 H new ATOM 0 HG12 ILE A 34 8.167 13.627 -3.840 1.00 53.23 H new ATOM 0 HG13 ILE A 34 7.511 12.002 -3.831 1.00 53.23 H new ATOM 0 HG21 ILE A 34 8.704 10.153 -5.047 1.00 74.31 H new ATOM 0 HG22 ILE A 34 10.138 10.520 -6.036 1.00 74.31 H new ATOM 0 HG23 ILE A 34 10.258 10.516 -4.261 1.00 74.31 H new ATOM 0 HD11 ILE A 34 8.536 12.545 -1.675 1.00 45.34 H new ATOM 0 HD12 ILE A 34 9.422 11.223 -2.470 1.00 45.34 H new ATOM 0 HD13 ILE A 34 10.089 12.873 -2.479 1.00 45.34 H new ATOM 546 N SER A 35 12.615 12.345 -6.182 1.00 31.12 N ATOM 547 CA SER A 35 13.523 11.949 -7.273 1.00 63.05 C ATOM 548 C SER A 35 13.234 10.522 -7.764 1.00 44.31 C ATOM 549 O SER A 35 13.286 10.245 -8.962 1.00 14.44 O ATOM 550 CB SER A 35 14.987 12.047 -6.816 1.00 11.21 C ATOM 551 OG SER A 35 15.229 11.247 -5.662 1.00 35.15 O ATOM 0 H SER A 35 13.040 12.315 -5.255 1.00 31.12 H new ATOM 0 HA SER A 35 13.352 12.637 -8.101 1.00 63.05 H new ATOM 0 HB2 SER A 35 15.644 11.728 -7.625 1.00 11.21 H new ATOM 0 HB3 SER A 35 15.232 13.086 -6.597 1.00 11.21 H new ATOM 0 HG SER A 35 15.222 10.300 -5.913 1.00 35.15 H new ATOM 557 N ASP A 36 12.939 9.623 -6.831 1.00 52.04 N ATOM 558 CA ASP A 36 12.622 8.227 -7.154 1.00 24.54 C ATOM 559 C ASP A 36 11.262 7.814 -6.553 1.00 63.53 C ATOM 560 O ASP A 36 11.175 7.403 -5.395 1.00 20.43 O ATOM 561 CB ASP A 36 13.750 7.295 -6.672 1.00 54.43 C ATOM 562 CG ASP A 36 14.330 7.723 -5.333 1.00 42.02 C ATOM 563 OD1 ASP A 36 13.746 7.389 -4.281 1.00 44.22 O ATOM 564 OD2 ASP A 36 15.372 8.414 -5.326 1.00 74.24 O ATOM 0 H ASP A 36 12.912 9.835 -5.834 1.00 52.04 H new ATOM 0 HA ASP A 36 12.543 8.135 -8.237 1.00 24.54 H new ATOM 0 HB2 ASP A 36 13.366 6.278 -6.589 1.00 54.43 H new ATOM 0 HB3 ASP A 36 14.544 7.276 -7.418 1.00 54.43 H new ATOM 569 N PRO A 37 10.173 7.928 -7.340 1.00 35.43 N ATOM 570 CA PRO A 37 8.809 7.635 -6.859 1.00 33.13 C ATOM 571 C PRO A 37 8.635 6.183 -6.382 1.00 43.42 C ATOM 572 O PRO A 37 8.110 5.935 -5.296 1.00 60.35 O ATOM 573 CB PRO A 37 7.925 7.924 -8.085 1.00 54.10 C ATOM 574 CG PRO A 37 8.849 7.863 -9.256 1.00 4.31 C ATOM 575 CD PRO A 37 10.178 8.350 -8.753 1.00 4.25 C ATOM 0 HA PRO A 37 8.554 8.235 -5.985 1.00 33.13 H new ATOM 0 HB2 PRO A 37 7.125 7.189 -8.176 1.00 54.10 H new ATOM 0 HB3 PRO A 37 7.452 8.903 -8.007 1.00 54.10 H new ATOM 0 HG2 PRO A 37 8.925 6.846 -9.642 1.00 4.31 H new ATOM 0 HG3 PRO A 37 8.487 8.487 -10.073 1.00 4.31 H new ATOM 0 HD2 PRO A 37 11.006 7.904 -9.304 1.00 4.25 H new ATOM 0 HD3 PRO A 37 10.275 9.431 -8.851 1.00 4.25 H new ATOM 583 N GLU A 38 9.091 5.225 -7.190 1.00 53.13 N ATOM 584 CA GLU A 38 8.965 3.803 -6.849 1.00 51.31 C ATOM 585 C GLU A 38 9.817 3.442 -5.621 1.00 64.24 C ATOM 586 O GLU A 38 9.369 2.709 -4.739 1.00 52.44 O ATOM 587 CB GLU A 38 9.355 2.929 -8.053 1.00 64.23 C ATOM 588 CG GLU A 38 8.442 3.114 -9.260 1.00 2.53 C ATOM 589 CD GLU A 38 8.849 2.253 -10.445 1.00 2.13 C ATOM 590 OE1 GLU A 38 8.627 1.025 -10.400 1.00 54.11 O ATOM 591 OE2 GLU A 38 9.401 2.800 -11.425 1.00 4.10 O ATOM 0 H GLU A 38 9.550 5.405 -8.083 1.00 53.13 H new ATOM 0 HA GLU A 38 7.922 3.610 -6.596 1.00 51.31 H new ATOM 0 HB2 GLU A 38 10.380 3.161 -8.344 1.00 64.23 H new ATOM 0 HB3 GLU A 38 9.338 1.882 -7.752 1.00 64.23 H new ATOM 0 HG2 GLU A 38 7.418 2.872 -8.976 1.00 2.53 H new ATOM 0 HG3 GLU A 38 8.450 4.162 -9.559 1.00 2.53 H new ATOM 598 N GLY A 39 11.044 3.965 -5.567 1.00 54.11 N ATOM 599 CA GLY A 39 11.901 3.757 -4.402 1.00 20.14 C ATOM 600 C GLY A 39 11.297 4.331 -3.121 1.00 62.53 C ATOM 601 O GLY A 39 11.278 3.671 -2.077 1.00 3.13 O ATOM 0 H GLY A 39 11.461 4.529 -6.308 1.00 54.11 H new ATOM 0 HA2 GLY A 39 12.077 2.689 -4.270 1.00 20.14 H new ATOM 0 HA3 GLY A 39 12.871 4.220 -4.582 1.00 20.14 H new ATOM 605 N PHE A 40 10.800 5.566 -3.207 1.00 64.43 N ATOM 606 CA PHE A 40 10.114 6.219 -2.085 1.00 43.24 C ATOM 607 C PHE A 40 8.907 5.394 -1.602 1.00 75.22 C ATOM 608 O PHE A 40 8.717 5.195 -0.397 1.00 14.11 O ATOM 609 CB PHE A 40 9.659 7.630 -2.502 1.00 51.45 C ATOM 610 CG PHE A 40 8.862 8.361 -1.449 1.00 64.33 C ATOM 611 CD1 PHE A 40 9.485 8.893 -0.328 1.00 3.30 C ATOM 612 CD2 PHE A 40 7.488 8.518 -1.584 1.00 2.53 C ATOM 613 CE1 PHE A 40 8.755 9.564 0.634 1.00 44.44 C ATOM 614 CE2 PHE A 40 6.756 9.186 -0.623 1.00 2.54 C ATOM 615 CZ PHE A 40 7.388 9.709 0.486 1.00 70.13 C ATOM 0 H PHE A 40 10.859 6.140 -4.048 1.00 64.43 H new ATOM 0 HA PHE A 40 10.818 6.293 -1.256 1.00 43.24 H new ATOM 0 HB2 PHE A 40 10.538 8.223 -2.753 1.00 51.45 H new ATOM 0 HB3 PHE A 40 9.058 7.552 -3.408 1.00 51.45 H new ATOM 0 HD1 PHE A 40 10.552 8.781 -0.207 1.00 3.30 H new ATOM 0 HD2 PHE A 40 6.987 8.113 -2.451 1.00 2.53 H new ATOM 0 HE1 PHE A 40 9.252 9.975 1.501 1.00 44.44 H new ATOM 0 HE2 PHE A 40 5.688 9.299 -0.739 1.00 2.54 H new ATOM 0 HZ PHE A 40 6.815 10.231 1.238 1.00 70.13 H new ATOM 625 N LEU A 41 8.095 4.920 -2.545 1.00 71.42 N ATOM 626 CA LEU A 41 6.921 4.101 -2.216 1.00 64.54 C ATOM 627 C LEU A 41 7.319 2.756 -1.590 1.00 34.42 C ATOM 628 O LEU A 41 6.697 2.305 -0.636 1.00 2.21 O ATOM 629 CB LEU A 41 6.059 3.867 -3.464 1.00 33.14 C ATOM 630 CG LEU A 41 5.390 5.121 -4.050 1.00 71.51 C ATOM 631 CD1 LEU A 41 4.627 4.782 -5.328 1.00 24.21 C ATOM 632 CD2 LEU A 41 4.463 5.769 -3.023 1.00 71.41 C ATOM 0 H LEU A 41 8.225 5.087 -3.543 1.00 71.42 H new ATOM 0 HA LEU A 41 6.339 4.653 -1.478 1.00 64.54 H new ATOM 0 HB2 LEU A 41 6.682 3.415 -4.235 1.00 33.14 H new ATOM 0 HB3 LEU A 41 5.282 3.143 -3.217 1.00 33.14 H new ATOM 0 HG LEU A 41 6.173 5.836 -4.302 1.00 71.51 H new ATOM 0 HD11 LEU A 41 4.162 5.685 -5.724 1.00 24.21 H new ATOM 0 HD12 LEU A 41 5.317 4.375 -6.067 1.00 24.21 H new ATOM 0 HD13 LEU A 41 3.856 4.044 -5.107 1.00 24.21 H new ATOM 0 HD21 LEU A 41 4.000 6.655 -3.458 1.00 71.41 H new ATOM 0 HD22 LEU A 41 3.688 5.059 -2.734 1.00 71.41 H new ATOM 0 HD23 LEU A 41 5.039 6.056 -2.143 1.00 71.41 H new ATOM 644 N GLN A 42 8.357 2.120 -2.125 1.00 61.11 N ATOM 645 CA GLN A 42 8.836 0.840 -1.588 1.00 4.35 C ATOM 646 C GLN A 42 9.287 0.992 -0.124 1.00 15.11 C ATOM 647 O GLN A 42 8.886 0.220 0.744 1.00 22.20 O ATOM 648 CB GLN A 42 9.982 0.296 -2.465 1.00 60.23 C ATOM 649 CG GLN A 42 10.422 -1.136 -2.134 1.00 25.13 C ATOM 650 CD GLN A 42 11.362 -1.233 -0.937 1.00 75.23 C ATOM 651 OE1 GLN A 42 12.146 -0.329 -0.668 1.00 5.51 O ATOM 652 NE2 GLN A 42 11.288 -2.329 -0.210 1.00 12.50 N ATOM 0 H GLN A 42 8.884 2.464 -2.927 1.00 61.11 H new ATOM 0 HA GLN A 42 8.014 0.125 -1.607 1.00 4.35 H new ATOM 0 HB2 GLN A 42 9.671 0.333 -3.509 1.00 60.23 H new ATOM 0 HB3 GLN A 42 10.842 0.958 -2.365 1.00 60.23 H new ATOM 0 HG2 GLN A 42 9.537 -1.741 -1.938 1.00 25.13 H new ATOM 0 HG3 GLN A 42 10.915 -1.565 -3.006 1.00 25.13 H new ATOM 0 HE21 GLN A 42 10.625 -3.063 -0.460 1.00 12.50 H new ATOM 0 HE22 GLN A 42 11.893 -2.444 0.603 1.00 12.50 H new ATOM 661 N ALA A 43 10.108 2.005 0.141 1.00 65.13 N ATOM 662 CA ALA A 43 10.624 2.255 1.493 1.00 71.50 C ATOM 663 C ALA A 43 9.510 2.628 2.491 1.00 22.03 C ATOM 664 O ALA A 43 9.545 2.224 3.655 1.00 20.00 O ATOM 665 CB ALA A 43 11.680 3.351 1.450 1.00 43.11 C ATOM 0 H ALA A 43 10.433 2.670 -0.561 1.00 65.13 H new ATOM 0 HA ALA A 43 11.071 1.326 1.847 1.00 71.50 H new ATOM 0 HB1 ALA A 43 12.058 3.531 2.456 1.00 43.11 H new ATOM 0 HB2 ALA A 43 12.501 3.040 0.804 1.00 43.11 H new ATOM 0 HB3 ALA A 43 11.238 4.267 1.059 1.00 43.11 H new ATOM 671 N SER A 44 8.525 3.401 2.031 1.00 24.21 N ATOM 672 CA SER A 44 7.430 3.873 2.899 1.00 1.54 C ATOM 673 C SER A 44 6.359 2.789 3.116 1.00 72.40 C ATOM 674 O SER A 44 5.920 2.549 4.242 1.00 73.04 O ATOM 675 CB SER A 44 6.778 5.128 2.300 1.00 5.43 C ATOM 676 OG SER A 44 6.253 4.871 1.006 1.00 13.22 O ATOM 0 H SER A 44 8.458 3.717 1.063 1.00 24.21 H new ATOM 0 HA SER A 44 7.867 4.113 3.868 1.00 1.54 H new ATOM 0 HB2 SER A 44 5.979 5.474 2.956 1.00 5.43 H new ATOM 0 HB3 SER A 44 7.514 5.930 2.243 1.00 5.43 H new ATOM 0 HG SER A 44 6.982 4.874 0.351 1.00 13.22 H new ATOM 682 N LEU A 45 5.935 2.143 2.033 1.00 11.45 N ATOM 683 CA LEU A 45 4.897 1.101 2.096 1.00 1.03 C ATOM 684 C LEU A 45 5.446 -0.232 2.633 1.00 45.10 C ATOM 685 O LEU A 45 4.677 -1.142 2.946 1.00 64.41 O ATOM 686 CB LEU A 45 4.286 0.885 0.704 1.00 62.31 C ATOM 687 CG LEU A 45 3.677 2.137 0.051 1.00 22.25 C ATOM 688 CD1 LEU A 45 3.149 1.814 -1.343 1.00 43.21 C ATOM 689 CD2 LEU A 45 2.575 2.725 0.930 1.00 42.41 C ATOM 0 H LEU A 45 6.292 2.319 1.094 1.00 11.45 H new ATOM 0 HA LEU A 45 4.130 1.447 2.789 1.00 1.03 H new ATOM 0 HB2 LEU A 45 5.058 0.491 0.044 1.00 62.31 H new ATOM 0 HB3 LEU A 45 3.511 0.122 0.780 1.00 62.31 H new ATOM 0 HG LEU A 45 4.462 2.886 -0.050 1.00 22.25 H new ATOM 0 HD11 LEU A 45 2.722 2.713 -1.788 1.00 43.21 H new ATOM 0 HD12 LEU A 45 3.967 1.453 -1.967 1.00 43.21 H new ATOM 0 HD13 LEU A 45 2.380 1.045 -1.272 1.00 43.21 H new ATOM 0 HD21 LEU A 45 2.159 3.610 0.448 1.00 42.41 H new ATOM 0 HD22 LEU A 45 1.788 1.984 1.071 1.00 42.41 H new ATOM 0 HD23 LEU A 45 2.991 3.001 1.899 1.00 42.41 H new ATOM 701 N LYS A 46 6.771 -0.326 2.736 1.00 24.01 N ATOM 702 CA LYS A 46 7.462 -1.537 3.214 1.00 14.32 C ATOM 703 C LYS A 46 6.824 -2.123 4.489 1.00 62.34 C ATOM 704 O LYS A 46 6.568 -3.327 4.576 1.00 55.41 O ATOM 705 CB LYS A 46 8.937 -1.201 3.486 1.00 63.21 C ATOM 706 CG LYS A 46 9.783 -2.383 3.947 1.00 54.22 C ATOM 707 CD LYS A 46 11.215 -1.956 4.265 1.00 55.13 C ATOM 708 CE LYS A 46 12.060 -3.122 4.769 1.00 72.52 C ATOM 709 NZ LYS A 46 13.441 -2.697 5.115 1.00 21.40 N ATOM 0 H LYS A 46 7.404 0.435 2.491 1.00 24.01 H new ATOM 0 HA LYS A 46 7.374 -2.294 2.435 1.00 14.32 H new ATOM 0 HB2 LYS A 46 9.376 -0.790 2.577 1.00 63.21 H new ATOM 0 HB3 LYS A 46 8.984 -0.420 4.245 1.00 63.21 H new ATOM 0 HG2 LYS A 46 9.331 -2.832 4.831 1.00 54.22 H new ATOM 0 HG3 LYS A 46 9.794 -3.148 3.171 1.00 54.22 H new ATOM 0 HD2 LYS A 46 11.675 -1.535 3.371 1.00 55.13 H new ATOM 0 HD3 LYS A 46 11.200 -1.167 5.017 1.00 55.13 H new ATOM 0 HE2 LYS A 46 11.585 -3.562 5.646 1.00 72.52 H new ATOM 0 HE3 LYS A 46 12.100 -3.898 4.005 1.00 72.52 H new ATOM 0 HZ1 LYS A 46 13.982 -3.518 5.453 1.00 21.40 H new ATOM 0 HZ2 LYS A 46 13.904 -2.300 4.272 1.00 21.40 H new ATOM 0 HZ3 LYS A 46 13.405 -1.975 5.862 1.00 21.40 H new ATOM 723 N ASP A 47 6.566 -1.261 5.470 1.00 0.33 N ATOM 724 CA ASP A 47 6.019 -1.687 6.766 1.00 43.53 C ATOM 725 C ASP A 47 4.582 -2.231 6.650 1.00 44.12 C ATOM 726 O ASP A 47 4.075 -2.869 7.575 1.00 3.43 O ATOM 727 CB ASP A 47 6.044 -0.512 7.747 1.00 24.21 C ATOM 728 CG ASP A 47 7.433 0.074 7.901 1.00 13.45 C ATOM 729 OD1 ASP A 47 8.203 -0.415 8.756 1.00 63.13 O ATOM 730 OD2 ASP A 47 7.765 1.024 7.160 1.00 45.03 O ATOM 0 H ASP A 47 6.727 -0.256 5.396 1.00 0.33 H new ATOM 0 HA ASP A 47 6.647 -2.500 7.131 1.00 43.53 H new ATOM 0 HB2 ASP A 47 5.361 0.263 7.401 1.00 24.21 H new ATOM 0 HB3 ASP A 47 5.682 -0.845 8.720 1.00 24.21 H new ATOM 735 N GLY A 48 3.919 -1.955 5.528 1.00 45.14 N ATOM 736 CA GLY A 48 2.534 -2.383 5.342 1.00 31.15 C ATOM 737 C GLY A 48 1.521 -1.478 6.049 1.00 2.10 C ATOM 738 O GLY A 48 0.401 -1.304 5.571 1.00 61.03 O ATOM 0 H GLY A 48 4.314 -1.441 4.740 1.00 45.14 H new ATOM 0 HA2 GLY A 48 2.308 -2.406 4.276 1.00 31.15 H new ATOM 0 HA3 GLY A 48 2.423 -3.402 5.714 1.00 31.15 H new ATOM 742 N VAL A 49 1.927 -0.897 7.181 1.00 52.42 N ATOM 743 CA VAL A 49 1.055 -0.029 7.991 1.00 72.24 C ATOM 744 C VAL A 49 0.340 1.048 7.147 1.00 64.10 C ATOM 745 O VAL A 49 -0.875 1.234 7.262 1.00 42.34 O ATOM 746 CB VAL A 49 1.856 0.664 9.125 1.00 74.25 C ATOM 747 CG1 VAL A 49 0.932 1.499 10.016 1.00 52.11 C ATOM 748 CG2 VAL A 49 2.630 -0.365 9.954 1.00 54.55 C ATOM 0 H VAL A 49 2.865 -1.012 7.564 1.00 52.42 H new ATOM 0 HA VAL A 49 0.296 -0.682 8.421 1.00 72.24 H new ATOM 0 HB VAL A 49 2.578 1.338 8.664 1.00 74.25 H new ATOM 0 HG11 VAL A 49 1.517 1.974 10.803 1.00 52.11 H new ATOM 0 HG12 VAL A 49 0.442 2.265 9.415 1.00 52.11 H new ATOM 0 HG13 VAL A 49 0.178 0.853 10.465 1.00 52.11 H new ATOM 0 HG21 VAL A 49 3.183 0.145 10.742 1.00 54.55 H new ATOM 0 HG22 VAL A 49 1.931 -1.072 10.400 1.00 54.55 H new ATOM 0 HG23 VAL A 49 3.327 -0.901 9.310 1.00 54.55 H new ATOM 758 N VAL A 50 1.096 1.759 6.305 1.00 21.04 N ATOM 759 CA VAL A 50 0.511 2.783 5.424 1.00 71.31 C ATOM 760 C VAL A 50 -0.530 2.169 4.468 1.00 72.22 C ATOM 761 O VAL A 50 -1.579 2.763 4.223 1.00 53.13 O ATOM 762 CB VAL A 50 1.597 3.528 4.600 1.00 54.41 C ATOM 763 CG1 VAL A 50 0.963 4.555 3.657 1.00 75.24 C ATOM 764 CG2 VAL A 50 2.612 4.205 5.524 1.00 12.13 C ATOM 0 H VAL A 50 2.106 1.649 6.212 1.00 21.04 H new ATOM 0 HA VAL A 50 0.016 3.505 6.073 1.00 71.31 H new ATOM 0 HB VAL A 50 2.122 2.789 3.995 1.00 54.41 H new ATOM 0 HG11 VAL A 50 1.745 5.062 3.092 1.00 75.24 H new ATOM 0 HG12 VAL A 50 0.288 4.048 2.967 1.00 75.24 H new ATOM 0 HG13 VAL A 50 0.403 5.287 4.239 1.00 75.24 H new ATOM 0 HG21 VAL A 50 3.363 4.720 4.925 1.00 12.13 H new ATOM 0 HG22 VAL A 50 2.100 4.925 6.162 1.00 12.13 H new ATOM 0 HG23 VAL A 50 3.098 3.452 6.145 1.00 12.13 H new ATOM 774 N LEU A 51 -0.239 0.976 3.943 1.00 65.11 N ATOM 775 CA LEU A 51 -1.178 0.260 3.061 1.00 62.21 C ATOM 776 C LEU A 51 -2.477 -0.101 3.800 1.00 41.32 C ATOM 777 O LEU A 51 -3.574 0.063 3.267 1.00 34.32 O ATOM 778 CB LEU A 51 -0.536 -1.019 2.507 1.00 41.54 C ATOM 779 CG LEU A 51 0.617 -0.808 1.515 1.00 24.41 C ATOM 780 CD1 LEU A 51 1.209 -2.149 1.092 1.00 65.01 C ATOM 781 CD2 LEU A 51 0.141 -0.020 0.296 1.00 64.03 C ATOM 0 H LEU A 51 0.637 0.482 4.110 1.00 65.11 H new ATOM 0 HA LEU A 51 -1.420 0.930 2.236 1.00 62.21 H new ATOM 0 HB2 LEU A 51 -0.167 -1.611 3.345 1.00 41.54 H new ATOM 0 HB3 LEU A 51 -1.310 -1.609 2.016 1.00 41.54 H new ATOM 0 HG LEU A 51 1.396 -0.230 2.011 1.00 24.41 H new ATOM 0 HD11 LEU A 51 2.025 -1.981 0.389 1.00 65.01 H new ATOM 0 HD12 LEU A 51 1.588 -2.672 1.970 1.00 65.01 H new ATOM 0 HD13 LEU A 51 0.437 -2.753 0.615 1.00 65.01 H new ATOM 0 HD21 LEU A 51 0.973 0.119 -0.395 1.00 64.03 H new ATOM 0 HD22 LEU A 51 -0.657 -0.569 -0.203 1.00 64.03 H new ATOM 0 HD23 LEU A 51 -0.232 0.953 0.615 1.00 64.03 H new ATOM 793 N CYS A 52 -2.339 -0.600 5.027 1.00 73.24 N ATOM 794 CA CYS A 52 -3.496 -0.944 5.862 1.00 51.03 C ATOM 795 C CYS A 52 -4.432 0.262 6.025 1.00 12.23 C ATOM 796 O CYS A 52 -5.621 0.188 5.710 1.00 61.20 O ATOM 797 CB CYS A 52 -3.033 -1.434 7.241 1.00 41.54 C ATOM 798 SG CYS A 52 -1.888 -2.835 7.184 1.00 21.23 S ATOM 0 H CYS A 52 -1.437 -0.777 5.469 1.00 73.24 H new ATOM 0 HA CYS A 52 -4.044 -1.744 5.365 1.00 51.03 H new ATOM 0 HB2 CYS A 52 -2.553 -0.608 7.765 1.00 41.54 H new ATOM 0 HB3 CYS A 52 -3.908 -1.718 7.826 1.00 41.54 H new ATOM 0 HG CYS A 52 -0.845 -2.514 6.478 1.00 21.23 H new ATOM 804 N ARG A 53 -3.876 1.379 6.494 1.00 31.04 N ATOM 805 CA ARG A 53 -4.650 2.611 6.688 1.00 42.24 C ATOM 806 C ARG A 53 -5.170 3.161 5.353 1.00 45.34 C ATOM 807 O ARG A 53 -6.263 3.730 5.288 1.00 71.44 O ATOM 808 CB ARG A 53 -3.801 3.663 7.411 1.00 3.43 C ATOM 809 CG ARG A 53 -3.321 3.204 8.783 1.00 63.21 C ATOM 810 CD ARG A 53 -2.546 4.293 9.510 1.00 2.35 C ATOM 811 NE ARG A 53 -2.128 3.868 10.842 1.00 62.34 N ATOM 812 CZ ARG A 53 -1.567 4.651 11.720 1.00 20.35 C ATOM 813 NH1 ARG A 53 -1.390 5.910 11.469 1.00 3.32 N ATOM 814 NH2 ARG A 53 -1.217 4.173 12.866 1.00 52.32 N ATOM 0 H ARG A 53 -2.891 1.459 6.748 1.00 31.04 H new ATOM 0 HA ARG A 53 -5.515 2.372 7.306 1.00 42.24 H new ATOM 0 HB2 ARG A 53 -2.937 3.910 6.794 1.00 3.43 H new ATOM 0 HB3 ARG A 53 -4.384 4.577 7.524 1.00 3.43 H new ATOM 0 HG2 ARG A 53 -4.179 2.906 9.386 1.00 63.21 H new ATOM 0 HG3 ARG A 53 -2.689 2.323 8.670 1.00 63.21 H new ATOM 0 HD2 ARG A 53 -1.668 4.566 8.924 1.00 2.35 H new ATOM 0 HD3 ARG A 53 -3.165 5.186 9.592 1.00 2.35 H new ATOM 0 HE ARG A 53 -2.285 2.895 11.103 1.00 62.34 H new ATOM 0 HH11 ARG A 53 -1.691 6.299 10.576 1.00 3.32 H new ATOM 0 HH12 ARG A 53 -0.950 6.512 12.165 1.00 3.32 H new ATOM 0 HH21 ARG A 53 -1.380 3.189 13.079 1.00 52.32 H new ATOM 0 HH22 ARG A 53 -0.777 4.779 13.559 1.00 52.32 H new ATOM 828 N LEU A 54 -4.383 2.988 4.292 1.00 25.23 N ATOM 829 CA LEU A 54 -4.818 3.330 2.934 1.00 61.12 C ATOM 830 C LEU A 54 -6.142 2.628 2.601 1.00 64.44 C ATOM 831 O LEU A 54 -7.107 3.258 2.162 1.00 65.43 O ATOM 832 CB LEU A 54 -3.735 2.929 1.916 1.00 14.55 C ATOM 833 CG LEU A 54 -4.120 3.068 0.433 1.00 23.23 C ATOM 834 CD1 LEU A 54 -4.410 4.521 0.079 1.00 43.43 C ATOM 835 CD2 LEU A 54 -3.019 2.497 -0.462 1.00 60.21 C ATOM 0 H LEU A 54 -3.436 2.612 4.345 1.00 25.23 H new ATOM 0 HA LEU A 54 -4.974 4.407 2.880 1.00 61.12 H new ATOM 0 HB2 LEU A 54 -2.849 3.537 2.099 1.00 14.55 H new ATOM 0 HB3 LEU A 54 -3.455 1.892 2.103 1.00 14.55 H new ATOM 0 HG LEU A 54 -5.031 2.495 0.262 1.00 23.23 H new ATOM 0 HD11 LEU A 54 -4.680 4.592 -0.975 1.00 43.43 H new ATOM 0 HD12 LEU A 54 -5.235 4.887 0.690 1.00 43.43 H new ATOM 0 HD13 LEU A 54 -3.523 5.126 0.268 1.00 43.43 H new ATOM 0 HD21 LEU A 54 -3.308 2.604 -1.508 1.00 60.21 H new ATOM 0 HD22 LEU A 54 -2.089 3.038 -0.286 1.00 60.21 H new ATOM 0 HD23 LEU A 54 -2.874 1.442 -0.232 1.00 60.21 H new ATOM 847 N LEU A 55 -6.185 1.319 2.839 1.00 23.11 N ATOM 848 CA LEU A 55 -7.394 0.531 2.598 1.00 62.21 C ATOM 849 C LEU A 55 -8.521 0.936 3.563 1.00 51.54 C ATOM 850 O LEU A 55 -9.687 0.947 3.187 1.00 64.32 O ATOM 851 CB LEU A 55 -7.091 -0.968 2.727 1.00 42.30 C ATOM 852 CG LEU A 55 -8.236 -1.906 2.302 1.00 14.21 C ATOM 853 CD1 LEU A 55 -8.620 -1.663 0.841 1.00 13.41 C ATOM 854 CD2 LEU A 55 -7.852 -3.368 2.523 1.00 14.11 C ATOM 0 H LEU A 55 -5.397 0.780 3.199 1.00 23.11 H new ATOM 0 HA LEU A 55 -7.732 0.734 1.582 1.00 62.21 H new ATOM 0 HB2 LEU A 55 -6.212 -1.198 2.125 1.00 42.30 H new ATOM 0 HB3 LEU A 55 -6.833 -1.182 3.764 1.00 42.30 H new ATOM 0 HG LEU A 55 -9.103 -1.686 2.925 1.00 14.21 H new ATOM 0 HD11 LEU A 55 -9.431 -2.336 0.561 1.00 13.41 H new ATOM 0 HD12 LEU A 55 -8.947 -0.630 0.718 1.00 13.41 H new ATOM 0 HD13 LEU A 55 -7.757 -1.849 0.202 1.00 13.41 H new ATOM 0 HD21 LEU A 55 -8.677 -4.011 2.216 1.00 14.11 H new ATOM 0 HD22 LEU A 55 -6.967 -3.605 1.932 1.00 14.11 H new ATOM 0 HD23 LEU A 55 -7.638 -3.532 3.579 1.00 14.11 H new ATOM 866 N GLU A 56 -8.168 1.277 4.804 1.00 33.13 N ATOM 867 CA GLU A 56 -9.157 1.743 5.793 1.00 21.33 C ATOM 868 C GLU A 56 -9.816 3.066 5.360 1.00 5.11 C ATOM 869 O GLU A 56 -10.956 3.357 5.737 1.00 22.00 O ATOM 870 CB GLU A 56 -8.504 1.915 7.173 1.00 14.01 C ATOM 871 CG GLU A 56 -8.001 0.611 7.789 1.00 61.03 C ATOM 872 CD GLU A 56 -7.397 0.803 9.173 1.00 62.11 C ATOM 873 OE1 GLU A 56 -6.177 1.056 9.269 1.00 14.05 O ATOM 874 OE2 GLU A 56 -8.142 0.712 10.173 1.00 70.42 O ATOM 0 H GLU A 56 -7.210 1.241 5.152 1.00 33.13 H new ATOM 0 HA GLU A 56 -9.934 0.981 5.856 1.00 21.33 H new ATOM 0 HB2 GLU A 56 -7.668 2.609 7.084 1.00 14.01 H new ATOM 0 HB3 GLU A 56 -9.226 2.370 7.851 1.00 14.01 H new ATOM 0 HG2 GLU A 56 -8.828 -0.097 7.854 1.00 61.03 H new ATOM 0 HG3 GLU A 56 -7.254 0.169 7.130 1.00 61.03 H new ATOM 881 N ARG A 57 -9.089 3.871 4.586 1.00 74.13 N ATOM 882 CA ARG A 57 -9.625 5.127 4.043 1.00 61.52 C ATOM 883 C ARG A 57 -10.596 4.877 2.878 1.00 32.21 C ATOM 884 O ARG A 57 -11.554 5.627 2.684 1.00 32.41 O ATOM 885 CB ARG A 57 -8.478 6.035 3.574 1.00 54.31 C ATOM 886 CG ARG A 57 -7.649 6.632 4.709 1.00 74.33 C ATOM 887 CD ARG A 57 -8.497 7.498 5.635 1.00 74.43 C ATOM 888 NE ARG A 57 -9.265 8.499 4.895 1.00 22.14 N ATOM 889 CZ ARG A 57 -9.482 9.715 5.307 1.00 0.23 C ATOM 890 NH1 ARG A 57 -8.977 10.137 6.425 1.00 43.20 N ATOM 891 NH2 ARG A 57 -10.208 10.510 4.592 1.00 61.33 N ATOM 0 H ARG A 57 -8.124 3.678 4.318 1.00 74.13 H new ATOM 0 HA ARG A 57 -10.178 5.619 4.843 1.00 61.52 H new ATOM 0 HB2 ARG A 57 -7.820 5.462 2.921 1.00 54.31 H new ATOM 0 HB3 ARG A 57 -8.893 6.847 2.976 1.00 54.31 H new ATOM 0 HG2 ARG A 57 -7.188 5.829 5.284 1.00 74.33 H new ATOM 0 HG3 ARG A 57 -6.839 7.231 4.292 1.00 74.33 H new ATOM 0 HD2 ARG A 57 -9.179 6.864 6.202 1.00 74.43 H new ATOM 0 HD3 ARG A 57 -7.851 7.997 6.357 1.00 74.43 H new ATOM 0 HE ARG A 57 -9.658 8.226 3.994 1.00 22.14 H new ATOM 0 HH11 ARG A 57 -8.402 9.514 6.992 1.00 43.20 H new ATOM 0 HH12 ARG A 57 -9.155 11.092 6.737 1.00 43.20 H new ATOM 0 HH21 ARG A 57 -10.606 10.183 3.712 1.00 61.33 H new ATOM 0 HH22 ARG A 57 -10.383 11.464 4.908 1.00 61.33 H new ATOM 905 N LEU A 58 -10.330 3.833 2.100 1.00 12.03 N ATOM 906 CA LEU A 58 -11.175 3.479 0.951 1.00 32.33 C ATOM 907 C LEU A 58 -12.332 2.559 1.376 1.00 4.11 C ATOM 908 O LEU A 58 -13.504 2.876 1.180 1.00 62.23 O ATOM 909 CB LEU A 58 -10.317 2.799 -0.126 1.00 30.12 C ATOM 910 CG LEU A 58 -9.063 3.586 -0.553 1.00 41.23 C ATOM 911 CD1 LEU A 58 -8.259 2.804 -1.585 1.00 72.24 C ATOM 912 CD2 LEU A 58 -9.441 4.963 -1.096 1.00 33.31 C ATOM 0 H LEU A 58 -9.534 3.211 2.240 1.00 12.03 H new ATOM 0 HA LEU A 58 -11.610 4.392 0.544 1.00 32.33 H new ATOM 0 HB2 LEU A 58 -10.006 1.821 0.242 1.00 30.12 H new ATOM 0 HB3 LEU A 58 -10.936 2.626 -1.006 1.00 30.12 H new ATOM 0 HG LEU A 58 -8.439 3.729 0.330 1.00 41.23 H new ATOM 0 HD11 LEU A 58 -7.378 3.379 -1.872 1.00 72.24 H new ATOM 0 HD12 LEU A 58 -7.947 1.851 -1.157 1.00 72.24 H new ATOM 0 HD13 LEU A 58 -8.876 2.622 -2.465 1.00 72.24 H new ATOM 0 HD21 LEU A 58 -8.538 5.498 -1.390 1.00 33.31 H new ATOM 0 HD22 LEU A 58 -10.092 4.846 -1.962 1.00 33.31 H new ATOM 0 HD23 LEU A 58 -9.962 5.528 -0.323 1.00 33.31 H new ATOM 924 N LEU A 59 -11.981 1.413 1.952 1.00 51.32 N ATOM 925 CA LEU A 59 -12.958 0.475 2.511 1.00 73.10 C ATOM 926 C LEU A 59 -12.950 0.552 4.055 1.00 71.00 C ATOM 927 O LEU A 59 -12.112 -0.066 4.720 1.00 34.21 O ATOM 928 CB LEU A 59 -12.647 -0.955 2.042 1.00 73.21 C ATOM 929 CG LEU A 59 -12.644 -1.165 0.516 1.00 42.20 C ATOM 930 CD1 LEU A 59 -12.292 -2.610 0.168 1.00 63.43 C ATOM 931 CD2 LEU A 59 -13.994 -0.775 -0.089 1.00 63.21 C ATOM 0 H LEU A 59 -11.013 1.106 2.046 1.00 51.32 H new ATOM 0 HA LEU A 59 -13.952 0.748 2.156 1.00 73.10 H new ATOM 0 HB2 LEU A 59 -11.671 -1.243 2.433 1.00 73.21 H new ATOM 0 HB3 LEU A 59 -13.379 -1.631 2.483 1.00 73.21 H new ATOM 0 HG LEU A 59 -11.880 -0.517 0.087 1.00 42.20 H new ATOM 0 HD11 LEU A 59 -12.296 -2.735 -0.915 1.00 63.43 H new ATOM 0 HD12 LEU A 59 -11.302 -2.847 0.557 1.00 63.43 H new ATOM 0 HD13 LEU A 59 -13.027 -3.281 0.613 1.00 63.43 H new ATOM 0 HD21 LEU A 59 -13.968 -0.932 -1.167 1.00 63.21 H new ATOM 0 HD22 LEU A 59 -14.780 -1.390 0.348 1.00 63.21 H new ATOM 0 HD23 LEU A 59 -14.197 0.275 0.120 1.00 63.21 H new ATOM 943 N PRO A 60 -13.877 1.337 4.639 1.00 1.03 N ATOM 944 CA PRO A 60 -13.927 1.595 6.097 1.00 35.44 C ATOM 945 C PRO A 60 -13.870 0.333 6.984 1.00 23.04 C ATOM 946 O PRO A 60 -14.757 -0.524 6.936 1.00 71.15 O ATOM 947 CB PRO A 60 -15.276 2.304 6.275 1.00 12.34 C ATOM 948 CG PRO A 60 -15.526 2.973 4.967 1.00 5.40 C ATOM 949 CD PRO A 60 -14.947 2.059 3.919 1.00 11.14 C ATOM 0 HA PRO A 60 -13.055 2.167 6.414 1.00 35.44 H new ATOM 0 HB2 PRO A 60 -16.068 1.594 6.515 1.00 12.34 H new ATOM 0 HB3 PRO A 60 -15.239 3.028 7.089 1.00 12.34 H new ATOM 0 HG2 PRO A 60 -16.593 3.127 4.805 1.00 5.40 H new ATOM 0 HG3 PRO A 60 -15.053 3.955 4.934 1.00 5.40 H new ATOM 0 HD2 PRO A 60 -15.698 1.374 3.525 1.00 11.14 H new ATOM 0 HD3 PRO A 60 -14.552 2.620 3.072 1.00 11.14 H new ATOM 957 N GLY A 61 -12.808 0.227 7.788 1.00 23.13 N ATOM 958 CA GLY A 61 -12.718 -0.815 8.811 1.00 44.55 C ATOM 959 C GLY A 61 -12.522 -2.234 8.273 1.00 51.54 C ATOM 960 O GLY A 61 -12.742 -3.204 8.999 1.00 63.55 O ATOM 0 H GLY A 61 -12.001 0.849 7.749 1.00 23.13 H new ATOM 0 HA2 GLY A 61 -11.889 -0.578 9.478 1.00 44.55 H new ATOM 0 HA3 GLY A 61 -13.627 -0.793 9.412 1.00 44.55 H new ATOM 964 N THR A 62 -12.113 -2.366 7.012 1.00 53.03 N ATOM 965 CA THR A 62 -11.848 -3.692 6.424 1.00 21.34 C ATOM 966 C THR A 62 -10.612 -4.354 7.056 1.00 54.05 C ATOM 967 O THR A 62 -10.524 -5.580 7.147 1.00 54.11 O ATOM 968 CB THR A 62 -11.647 -3.605 4.891 1.00 71.31 C ATOM 969 OG1 THR A 62 -12.764 -2.941 4.287 1.00 31.32 O ATOM 970 CG2 THR A 62 -11.492 -4.990 4.266 1.00 40.13 C ATOM 0 H THR A 62 -11.957 -1.583 6.377 1.00 53.03 H new ATOM 0 HA THR A 62 -12.726 -4.303 6.634 1.00 21.34 H new ATOM 0 HB THR A 62 -10.733 -3.040 4.711 1.00 71.31 H new ATOM 0 HG1 THR A 62 -12.729 -1.985 4.497 1.00 31.32 H new ATOM 0 HG21 THR A 62 -11.353 -4.890 3.190 1.00 40.13 H new ATOM 0 HG22 THR A 62 -10.625 -5.490 4.699 1.00 40.13 H new ATOM 0 HG23 THR A 62 -12.387 -5.580 4.463 1.00 40.13 H new ATOM 978 N ILE A 63 -9.654 -3.536 7.491 1.00 72.51 N ATOM 979 CA ILE A 63 -8.444 -4.040 8.150 1.00 2.21 C ATOM 980 C ILE A 63 -8.720 -4.408 9.617 1.00 22.25 C ATOM 981 O ILE A 63 -8.801 -3.538 10.488 1.00 34.35 O ATOM 982 CB ILE A 63 -7.292 -3.004 8.081 1.00 10.21 C ATOM 983 CG1 ILE A 63 -6.922 -2.713 6.615 1.00 42.31 C ATOM 984 CG2 ILE A 63 -6.070 -3.496 8.863 1.00 64.31 C ATOM 985 CD1 ILE A 63 -6.405 -3.921 5.861 1.00 42.02 C ATOM 0 H ILE A 63 -9.690 -2.521 7.400 1.00 72.51 H new ATOM 0 HA ILE A 63 -8.140 -4.939 7.614 1.00 2.21 H new ATOM 0 HB ILE A 63 -7.634 -2.077 8.541 1.00 10.21 H new ATOM 0 HG12 ILE A 63 -7.800 -2.323 6.099 1.00 42.31 H new ATOM 0 HG13 ILE A 63 -6.164 -1.930 6.590 1.00 42.31 H new ATOM 0 HG21 ILE A 63 -5.275 -2.753 8.800 1.00 64.31 H new ATOM 0 HG22 ILE A 63 -6.343 -3.648 9.907 1.00 64.31 H new ATOM 0 HG23 ILE A 63 -5.721 -4.437 8.439 1.00 64.31 H new ATOM 0 HD11 ILE A 63 -6.166 -3.636 4.836 1.00 42.02 H new ATOM 0 HD12 ILE A 63 -5.508 -4.299 6.351 1.00 42.02 H new ATOM 0 HD13 ILE A 63 -7.169 -4.699 5.852 1.00 42.02 H new ATOM 997 N GLU A 64 -8.888 -5.704 9.874 1.00 73.23 N ATOM 998 CA GLU A 64 -9.144 -6.210 11.229 1.00 72.31 C ATOM 999 C GLU A 64 -7.916 -6.076 12.146 1.00 25.44 C ATOM 1000 O GLU A 64 -8.025 -5.624 13.290 1.00 21.45 O ATOM 1001 CB GLU A 64 -9.575 -7.683 11.159 1.00 74.13 C ATOM 1002 CG GLU A 64 -9.654 -8.373 12.520 1.00 75.22 C ATOM 1003 CD GLU A 64 -10.074 -9.828 12.423 1.00 1.12 C ATOM 1004 OE1 GLU A 64 -9.328 -10.627 11.822 1.00 73.22 O ATOM 1005 OE2 GLU A 64 -11.148 -10.179 12.958 1.00 33.20 O ATOM 0 H GLU A 64 -8.852 -6.430 9.159 1.00 73.23 H new ATOM 0 HA GLU A 64 -9.941 -5.603 11.658 1.00 72.31 H new ATOM 0 HB2 GLU A 64 -10.550 -7.743 10.676 1.00 74.13 H new ATOM 0 HB3 GLU A 64 -8.872 -8.227 10.528 1.00 74.13 H new ATOM 0 HG2 GLU A 64 -8.682 -8.313 13.009 1.00 75.22 H new ATOM 0 HG3 GLU A 64 -10.362 -7.837 13.152 1.00 75.22 H new ATOM 1012 N LYS A 65 -6.749 -6.472 11.640 1.00 33.31 N ATOM 1013 CA LYS A 65 -5.527 -6.538 12.456 1.00 11.15 C ATOM 1014 C LYS A 65 -4.330 -5.886 11.747 1.00 52.14 C ATOM 1015 O LYS A 65 -4.157 -6.030 10.540 1.00 50.12 O ATOM 1016 CB LYS A 65 -5.214 -8.010 12.774 1.00 55.14 C ATOM 1017 CG LYS A 65 -3.938 -8.225 13.589 1.00 32.51 C ATOM 1018 CD LYS A 65 -3.711 -9.701 13.942 1.00 1.33 C ATOM 1019 CE LYS A 65 -3.399 -10.571 12.719 1.00 12.52 C ATOM 1020 NZ LYS A 65 -4.578 -10.763 11.831 1.00 71.55 N ATOM 0 H LYS A 65 -6.619 -6.753 10.668 1.00 33.31 H new ATOM 0 HA LYS A 65 -5.700 -5.983 13.378 1.00 11.15 H new ATOM 0 HB2 LYS A 65 -6.055 -8.437 13.320 1.00 55.14 H new ATOM 0 HB3 LYS A 65 -5.129 -8.561 11.837 1.00 55.14 H new ATOM 0 HG2 LYS A 65 -3.083 -7.854 13.025 1.00 32.51 H new ATOM 0 HG3 LYS A 65 -3.993 -7.639 14.507 1.00 32.51 H new ATOM 0 HD2 LYS A 65 -2.888 -9.776 14.653 1.00 1.33 H new ATOM 0 HD3 LYS A 65 -4.599 -10.090 14.440 1.00 1.33 H new ATOM 0 HE2 LYS A 65 -2.592 -10.112 12.149 1.00 12.52 H new ATOM 0 HE3 LYS A 65 -3.040 -11.544 13.053 1.00 12.52 H new ATOM 0 HZ1 LYS A 65 -4.570 -11.730 11.447 1.00 71.55 H new ATOM 0 HZ2 LYS A 65 -5.451 -10.614 12.376 1.00 71.55 H new ATOM 0 HZ3 LYS A 65 -4.538 -10.080 11.048 1.00 71.55 H new ATOM 1034 N VAL A 66 -3.508 -5.167 12.513 1.00 15.34 N ATOM 1035 CA VAL A 66 -2.290 -4.546 11.978 1.00 32.10 C ATOM 1036 C VAL A 66 -1.220 -4.384 13.072 1.00 12.03 C ATOM 1037 O VAL A 66 -1.538 -4.139 14.240 1.00 50.01 O ATOM 1038 CB VAL A 66 -2.589 -3.161 11.346 1.00 5.23 C ATOM 1039 CG1 VAL A 66 -3.051 -2.163 12.408 1.00 52.25 C ATOM 1040 CG2 VAL A 66 -1.369 -2.633 10.586 1.00 71.02 C ATOM 0 H VAL A 66 -3.662 -4.999 13.507 1.00 15.34 H new ATOM 0 HA VAL A 66 -1.911 -5.213 11.203 1.00 32.10 H new ATOM 0 HB VAL A 66 -3.401 -3.285 10.630 1.00 5.23 H new ATOM 0 HG11 VAL A 66 -3.254 -1.200 11.939 1.00 52.25 H new ATOM 0 HG12 VAL A 66 -3.959 -2.533 12.885 1.00 52.25 H new ATOM 0 HG13 VAL A 66 -2.270 -2.043 13.159 1.00 52.25 H new ATOM 0 HG21 VAL A 66 -1.603 -1.661 10.152 1.00 71.02 H new ATOM 0 HG22 VAL A 66 -0.529 -2.531 11.273 1.00 71.02 H new ATOM 0 HG23 VAL A 66 -1.105 -3.331 9.791 1.00 71.02 H new ATOM 1050 N TYR A 67 0.042 -4.540 12.690 1.00 33.30 N ATOM 1051 CA TYR A 67 1.166 -4.350 13.609 1.00 71.25 C ATOM 1052 C TYR A 67 1.915 -3.049 13.279 1.00 41.04 C ATOM 1053 O TYR A 67 2.719 -3.008 12.343 1.00 11.11 O ATOM 1054 CB TYR A 67 2.127 -5.546 13.529 1.00 42.12 C ATOM 1055 CG TYR A 67 1.438 -6.889 13.681 1.00 3.13 C ATOM 1056 CD1 TYR A 67 0.860 -7.266 14.889 1.00 13.13 C ATOM 1057 CD2 TYR A 67 1.365 -7.780 12.616 1.00 22.44 C ATOM 1058 CE1 TYR A 67 0.228 -8.487 15.028 1.00 15.50 C ATOM 1059 CE2 TYR A 67 0.736 -9.000 12.748 1.00 13.42 C ATOM 1060 CZ TYR A 67 0.173 -9.351 13.955 1.00 22.23 C ATOM 1061 OH TYR A 67 -0.450 -10.571 14.087 1.00 41.44 O ATOM 0 H TYR A 67 0.317 -4.800 11.743 1.00 33.30 H new ATOM 0 HA TYR A 67 0.774 -4.280 14.624 1.00 71.25 H new ATOM 0 HB2 TYR A 67 2.647 -5.520 12.572 1.00 42.12 H new ATOM 0 HB3 TYR A 67 2.885 -5.445 14.306 1.00 42.12 H new ATOM 0 HD1 TYR A 67 0.906 -6.593 15.732 1.00 13.13 H new ATOM 0 HD2 TYR A 67 1.809 -7.512 11.669 1.00 22.44 H new ATOM 0 HE1 TYR A 67 -0.220 -8.763 15.971 1.00 15.50 H new ATOM 0 HE2 TYR A 67 0.685 -9.677 11.908 1.00 13.42 H new ATOM 0 HH TYR A 67 -0.401 -11.057 13.237 1.00 41.44 H new ATOM 1071 N PRO A 68 1.656 -1.958 14.035 1.00 20.32 N ATOM 1072 CA PRO A 68 2.288 -0.647 13.789 1.00 75.23 C ATOM 1073 C PRO A 68 3.823 -0.687 13.893 1.00 35.32 C ATOM 1074 O PRO A 68 4.516 0.145 13.302 1.00 10.35 O ATOM 1075 CB PRO A 68 1.685 0.258 14.882 1.00 71.32 C ATOM 1076 CG PRO A 68 1.181 -0.682 15.925 1.00 2.23 C ATOM 1077 CD PRO A 68 0.731 -1.911 15.184 1.00 1.14 C ATOM 0 HA PRO A 68 2.097 -0.295 12.775 1.00 75.23 H new ATOM 0 HB2 PRO A 68 2.434 0.936 15.291 1.00 71.32 H new ATOM 0 HB3 PRO A 68 0.879 0.875 14.484 1.00 71.32 H new ATOM 0 HG2 PRO A 68 1.963 -0.924 16.645 1.00 2.23 H new ATOM 0 HG3 PRO A 68 0.357 -0.240 16.485 1.00 2.23 H new ATOM 0 HD2 PRO A 68 0.807 -2.806 15.801 1.00 1.14 H new ATOM 0 HD3 PRO A 68 -0.308 -1.832 14.864 1.00 1.14 H new ATOM 1085 N GLU A 69 4.353 -1.650 14.647 1.00 51.33 N ATOM 1086 CA GLU A 69 5.805 -1.836 14.752 1.00 53.33 C ATOM 1087 C GLU A 69 6.220 -3.269 14.397 1.00 34.33 C ATOM 1088 O GLU A 69 6.271 -4.149 15.263 1.00 22.34 O ATOM 1089 CB GLU A 69 6.317 -1.496 16.158 1.00 12.11 C ATOM 1090 CG GLU A 69 6.179 -0.028 16.536 1.00 52.42 C ATOM 1091 CD GLU A 69 7.042 0.346 17.731 1.00 53.34 C ATOM 1092 OE1 GLU A 69 6.606 0.138 18.883 1.00 25.13 O ATOM 1093 OE2 GLU A 69 8.174 0.830 17.519 1.00 44.42 O ATOM 0 H GLU A 69 3.803 -2.313 15.193 1.00 51.33 H new ATOM 0 HA GLU A 69 6.256 -1.150 14.034 1.00 53.33 H new ATOM 0 HB2 GLU A 69 5.774 -2.099 16.886 1.00 12.11 H new ATOM 0 HB3 GLU A 69 7.367 -1.780 16.228 1.00 12.11 H new ATOM 0 HG2 GLU A 69 6.456 0.592 15.683 1.00 52.42 H new ATOM 0 HG3 GLU A 69 5.135 0.190 16.763 1.00 52.42 H new ATOM 1100 N PRO A 70 6.504 -3.535 13.113 1.00 61.31 N ATOM 1101 CA PRO A 70 7.032 -4.835 12.687 1.00 34.20 C ATOM 1102 C PRO A 70 8.467 -5.084 13.196 1.00 51.22 C ATOM 1103 O PRO A 70 9.445 -4.676 12.565 1.00 71.44 O ATOM 1104 CB PRO A 70 6.990 -4.751 11.153 1.00 64.15 C ATOM 1105 CG PRO A 70 7.021 -3.290 10.842 1.00 22.42 C ATOM 1106 CD PRO A 70 6.306 -2.609 11.978 1.00 3.31 C ATOM 0 HA PRO A 70 6.453 -5.666 13.090 1.00 34.20 H new ATOM 0 HB2 PRO A 70 7.840 -5.267 10.707 1.00 64.15 H new ATOM 0 HB3 PRO A 70 6.089 -5.219 10.757 1.00 64.15 H new ATOM 0 HG2 PRO A 70 8.047 -2.931 10.755 1.00 22.42 H new ATOM 0 HG3 PRO A 70 6.529 -3.083 9.891 1.00 22.42 H new ATOM 0 HD2 PRO A 70 6.726 -1.625 12.185 1.00 3.31 H new ATOM 0 HD3 PRO A 70 5.248 -2.464 11.758 1.00 3.31 H new ATOM 1114 N ARG A 71 8.583 -5.737 14.354 1.00 43.44 N ATOM 1115 CA ARG A 71 9.891 -6.059 14.945 1.00 41.23 C ATOM 1116 C ARG A 71 10.522 -7.276 14.248 1.00 35.44 C ATOM 1117 O ARG A 71 11.735 -7.490 14.305 1.00 44.13 O ATOM 1118 CB ARG A 71 9.731 -6.332 16.448 1.00 21.44 C ATOM 1119 CG ARG A 71 9.198 -5.138 17.240 1.00 13.15 C ATOM 1120 CD ARG A 71 10.200 -3.986 17.279 1.00 24.34 C ATOM 1121 NE ARG A 71 9.680 -2.821 18.000 1.00 32.43 N ATOM 1122 CZ ARG A 71 10.421 -1.978 18.674 1.00 0.00 C ATOM 1123 NH1 ARG A 71 11.694 -2.174 18.802 1.00 44.23 N ATOM 1124 NH2 ARG A 71 9.884 -0.940 19.229 1.00 2.00 N ATOM 0 H ARG A 71 7.786 -6.056 14.905 1.00 43.44 H new ATOM 0 HA ARG A 71 10.554 -5.206 14.804 1.00 41.23 H new ATOM 0 HB2 ARG A 71 9.056 -7.177 16.584 1.00 21.44 H new ATOM 0 HB3 ARG A 71 10.697 -6.626 16.859 1.00 21.44 H new ATOM 0 HG2 ARG A 71 8.266 -4.793 16.793 1.00 13.15 H new ATOM 0 HG3 ARG A 71 8.966 -5.452 18.258 1.00 13.15 H new ATOM 0 HD2 ARG A 71 11.120 -4.324 17.755 1.00 24.34 H new ATOM 0 HD3 ARG A 71 10.456 -3.695 16.260 1.00 24.34 H new ATOM 0 HE ARG A 71 8.674 -2.656 17.975 1.00 32.43 H new ATOM 0 HH11 ARG A 71 12.130 -2.992 18.376 1.00 44.23 H new ATOM 0 HH12 ARG A 71 12.262 -1.511 19.329 1.00 44.23 H new ATOM 0 HH21 ARG A 71 8.881 -0.777 19.142 1.00 2.00 H new ATOM 0 HH22 ARG A 71 10.464 -0.285 19.754 1.00 2.00 H new ATOM 1138 N SER A 72 9.680 -8.075 13.600 1.00 60.42 N ATOM 1139 CA SER A 72 10.131 -9.239 12.824 1.00 3.40 C ATOM 1140 C SER A 72 9.526 -9.227 11.414 1.00 3.32 C ATOM 1141 O SER A 72 8.472 -8.622 11.187 1.00 34.11 O ATOM 1142 CB SER A 72 9.756 -10.542 13.545 1.00 63.34 C ATOM 1143 OG SER A 72 10.394 -10.638 14.812 1.00 32.44 O ATOM 0 H SER A 72 8.669 -7.940 13.594 1.00 60.42 H new ATOM 0 HA SER A 72 11.216 -9.183 12.734 1.00 3.40 H new ATOM 0 HB2 SER A 72 8.675 -10.588 13.676 1.00 63.34 H new ATOM 0 HB3 SER A 72 10.039 -11.395 12.928 1.00 63.34 H new ATOM 0 HG SER A 72 10.134 -11.477 15.246 1.00 32.44 H new ATOM 1149 N GLU A 73 10.187 -9.905 10.471 1.00 55.34 N ATOM 1150 CA GLU A 73 9.750 -9.924 9.064 1.00 64.21 C ATOM 1151 C GLU A 73 8.281 -10.362 8.921 1.00 43.42 C ATOM 1152 O GLU A 73 7.481 -9.674 8.280 1.00 75.32 O ATOM 1153 CB GLU A 73 10.663 -10.848 8.239 1.00 13.50 C ATOM 1154 CG GLU A 73 10.285 -10.934 6.763 1.00 72.12 C ATOM 1155 CD GLU A 73 11.279 -11.739 5.938 1.00 2.32 C ATOM 1156 OE1 GLU A 73 12.345 -11.189 5.585 1.00 30.14 O ATOM 1157 OE2 GLU A 73 11.002 -12.919 5.635 1.00 33.41 O ATOM 0 H GLU A 73 11.029 -10.451 10.653 1.00 55.34 H new ATOM 0 HA GLU A 73 9.825 -8.905 8.683 1.00 64.21 H new ATOM 0 HB2 GLU A 73 11.691 -10.494 8.321 1.00 13.50 H new ATOM 0 HB3 GLU A 73 10.635 -11.849 8.670 1.00 13.50 H new ATOM 0 HG2 GLU A 73 9.297 -11.386 6.673 1.00 72.12 H new ATOM 0 HG3 GLU A 73 10.213 -9.927 6.353 1.00 72.12 H new ATOM 1164 N SER A 74 7.937 -11.504 9.522 1.00 75.23 N ATOM 1165 CA SER A 74 6.562 -12.037 9.490 1.00 50.33 C ATOM 1166 C SER A 74 5.509 -10.959 9.790 1.00 74.22 C ATOM 1167 O SER A 74 4.519 -10.832 9.069 1.00 51.43 O ATOM 1168 CB SER A 74 6.411 -13.190 10.494 1.00 4.02 C ATOM 1169 OG SER A 74 5.072 -13.663 10.557 1.00 34.45 O ATOM 0 H SER A 74 8.594 -12.085 10.042 1.00 75.23 H new ATOM 0 HA SER A 74 6.389 -12.401 8.477 1.00 50.33 H new ATOM 0 HB2 SER A 74 7.073 -14.008 10.210 1.00 4.02 H new ATOM 0 HB3 SER A 74 6.725 -12.855 11.482 1.00 4.02 H new ATOM 0 HG SER A 74 5.014 -14.397 11.204 1.00 34.45 H new ATOM 1175 N GLU A 75 5.730 -10.177 10.847 1.00 22.53 N ATOM 1176 CA GLU A 75 4.789 -9.118 11.240 1.00 13.52 C ATOM 1177 C GLU A 75 4.594 -8.091 10.111 1.00 60.55 C ATOM 1178 O GLU A 75 3.465 -7.741 9.761 1.00 21.22 O ATOM 1179 CB GLU A 75 5.282 -8.405 12.506 1.00 13.22 C ATOM 1180 CG GLU A 75 5.539 -9.340 13.682 1.00 35.23 C ATOM 1181 CD GLU A 75 5.996 -8.595 14.927 1.00 3.32 C ATOM 1182 OE1 GLU A 75 7.129 -8.071 14.928 1.00 62.33 O ATOM 1183 OE2 GLU A 75 5.222 -8.516 15.903 1.00 43.01 O ATOM 0 H GLU A 75 6.550 -10.254 11.448 1.00 22.53 H new ATOM 0 HA GLU A 75 3.829 -9.592 11.442 1.00 13.52 H new ATOM 0 HB2 GLU A 75 6.202 -7.868 12.274 1.00 13.22 H new ATOM 0 HB3 GLU A 75 4.544 -7.660 12.802 1.00 13.22 H new ATOM 0 HG2 GLU A 75 4.628 -9.894 13.908 1.00 35.23 H new ATOM 0 HG3 GLU A 75 6.296 -10.072 13.402 1.00 35.23 H new ATOM 1190 N CYS A 76 5.702 -7.625 9.535 1.00 62.13 N ATOM 1191 CA CYS A 76 5.654 -6.640 8.442 1.00 71.22 C ATOM 1192 C CYS A 76 4.899 -7.206 7.232 1.00 54.11 C ATOM 1193 O CYS A 76 4.067 -6.529 6.624 1.00 53.34 O ATOM 1194 CB CYS A 76 7.076 -6.238 8.028 1.00 44.03 C ATOM 1195 SG CYS A 76 7.162 -4.777 6.967 1.00 40.02 S ATOM 0 H CYS A 76 6.644 -7.910 9.803 1.00 62.13 H new ATOM 0 HA CYS A 76 5.123 -5.758 8.801 1.00 71.22 H new ATOM 0 HB2 CYS A 76 7.664 -6.054 8.927 1.00 44.03 H new ATOM 0 HB3 CYS A 76 7.541 -7.076 7.509 1.00 44.03 H new ATOM 0 HG CYS A 76 8.170 -4.890 6.154 1.00 40.02 H new ATOM 1201 N LEU A 77 5.192 -8.461 6.901 1.00 70.01 N ATOM 1202 CA LEU A 77 4.505 -9.161 5.812 1.00 44.15 C ATOM 1203 C LEU A 77 3.008 -9.325 6.117 1.00 74.21 C ATOM 1204 O LEU A 77 2.167 -9.208 5.226 1.00 31.52 O ATOM 1205 CB LEU A 77 5.144 -10.540 5.583 1.00 43.15 C ATOM 1206 CG LEU A 77 6.647 -10.524 5.244 1.00 41.44 C ATOM 1207 CD1 LEU A 77 7.189 -11.944 5.095 1.00 4.44 C ATOM 1208 CD2 LEU A 77 6.909 -9.711 3.978 1.00 62.34 C ATOM 0 H LEU A 77 5.904 -9.019 7.372 1.00 70.01 H new ATOM 0 HA LEU A 77 4.607 -8.561 4.908 1.00 44.15 H new ATOM 0 HB2 LEU A 77 4.997 -11.143 6.479 1.00 43.15 H new ATOM 0 HB3 LEU A 77 4.611 -11.038 4.773 1.00 43.15 H new ATOM 0 HG LEU A 77 7.173 -10.047 6.071 1.00 41.44 H new ATOM 0 HD11 LEU A 77 8.252 -11.905 4.856 1.00 4.44 H new ATOM 0 HD12 LEU A 77 7.047 -12.487 6.029 1.00 4.44 H new ATOM 0 HD13 LEU A 77 6.655 -12.455 4.293 1.00 4.44 H new ATOM 0 HD21 LEU A 77 7.977 -9.714 3.758 1.00 62.34 H new ATOM 0 HD22 LEU A 77 6.365 -10.153 3.143 1.00 62.34 H new ATOM 0 HD23 LEU A 77 6.572 -8.685 4.128 1.00 62.34 H new ATOM 1220 N SER A 78 2.685 -9.585 7.386 1.00 63.44 N ATOM 1221 CA SER A 78 1.289 -9.771 7.818 1.00 30.43 C ATOM 1222 C SER A 78 0.444 -8.520 7.550 1.00 72.14 C ATOM 1223 O SER A 78 -0.693 -8.622 7.085 1.00 70.10 O ATOM 1224 CB SER A 78 1.224 -10.134 9.308 1.00 53.11 C ATOM 1225 OG SER A 78 1.890 -11.361 9.570 1.00 1.44 O ATOM 0 H SER A 78 3.369 -9.673 8.137 1.00 63.44 H new ATOM 0 HA SER A 78 0.877 -10.593 7.233 1.00 30.43 H new ATOM 0 HB2 SER A 78 1.678 -9.338 9.898 1.00 53.11 H new ATOM 0 HB3 SER A 78 0.183 -10.209 9.621 1.00 53.11 H new ATOM 0 HG SER A 78 2.851 -11.253 9.409 1.00 1.44 H new ATOM 1231 N ASN A 79 1.004 -7.344 7.837 1.00 34.41 N ATOM 1232 CA ASN A 79 0.328 -6.072 7.541 1.00 65.34 C ATOM 1233 C ASN A 79 -0.042 -5.981 6.052 1.00 11.32 C ATOM 1234 O ASN A 79 -1.157 -5.585 5.691 1.00 70.22 O ATOM 1235 CB ASN A 79 1.224 -4.886 7.923 1.00 53.44 C ATOM 1236 CG ASN A 79 1.620 -4.902 9.386 1.00 52.33 C ATOM 1237 OD1 ASN A 79 0.917 -5.445 10.226 1.00 13.22 O ATOM 1238 ND2 ASN A 79 2.746 -4.294 9.705 1.00 12.23 N ATOM 0 H ASN A 79 1.921 -7.242 8.273 1.00 34.41 H new ATOM 0 HA ASN A 79 -0.587 -6.034 8.132 1.00 65.34 H new ATOM 0 HB2 ASN A 79 2.123 -4.901 7.307 1.00 53.44 H new ATOM 0 HB3 ASN A 79 0.702 -3.955 7.702 1.00 53.44 H new ATOM 0 HD21 ASN A 79 3.053 -4.267 10.677 1.00 12.23 H new ATOM 0 HD22 ASN A 79 3.309 -3.851 8.980 1.00 12.23 H new ATOM 1245 N ILE A 80 0.905 -6.361 5.193 1.00 34.04 N ATOM 1246 CA ILE A 80 0.675 -6.394 3.748 1.00 11.03 C ATOM 1247 C ILE A 80 -0.388 -7.445 3.387 1.00 31.50 C ATOM 1248 O ILE A 80 -1.245 -7.213 2.536 1.00 25.13 O ATOM 1249 CB ILE A 80 1.986 -6.702 2.979 1.00 51.30 C ATOM 1250 CG1 ILE A 80 3.076 -5.676 3.346 1.00 3.30 C ATOM 1251 CG2 ILE A 80 1.737 -6.717 1.468 1.00 5.24 C ATOM 1252 CD1 ILE A 80 4.415 -5.940 2.686 1.00 23.34 C ATOM 0 H ILE A 80 1.842 -6.651 5.474 1.00 34.04 H new ATOM 0 HA ILE A 80 0.318 -5.407 3.453 1.00 11.03 H new ATOM 0 HB ILE A 80 2.335 -7.692 3.272 1.00 51.30 H new ATOM 0 HG12 ILE A 80 2.733 -4.680 3.065 1.00 3.30 H new ATOM 0 HG13 ILE A 80 3.209 -5.673 4.428 1.00 3.30 H new ATOM 0 HG21 ILE A 80 2.670 -6.935 0.948 1.00 5.24 H new ATOM 0 HG22 ILE A 80 1.000 -7.484 1.228 1.00 5.24 H new ATOM 0 HG23 ILE A 80 1.364 -5.743 1.151 1.00 5.24 H new ATOM 0 HD11 ILE A 80 5.129 -5.176 2.993 1.00 23.34 H new ATOM 0 HD12 ILE A 80 4.782 -6.921 2.987 1.00 23.34 H new ATOM 0 HD13 ILE A 80 4.298 -5.913 1.603 1.00 23.34 H new ATOM 1264 N ARG A 81 -0.338 -8.598 4.059 1.00 2.43 N ATOM 1265 CA ARG A 81 -1.301 -9.683 3.814 1.00 0.11 C ATOM 1266 C ARG A 81 -2.741 -9.267 4.169 1.00 32.34 C ATOM 1267 O ARG A 81 -3.699 -9.731 3.547 1.00 62.44 O ATOM 1268 CB ARG A 81 -0.910 -10.946 4.598 1.00 45.51 C ATOM 1269 CG ARG A 81 0.439 -11.543 4.197 1.00 12.10 C ATOM 1270 CD ARG A 81 0.497 -11.913 2.715 1.00 10.43 C ATOM 1271 NE ARG A 81 -0.546 -12.866 2.341 1.00 55.40 N ATOM 1272 CZ ARG A 81 -0.713 -13.343 1.137 1.00 72.40 C ATOM 1273 NH1 ARG A 81 0.094 -13.011 0.180 1.00 62.41 N ATOM 1274 NH2 ARG A 81 -1.684 -14.167 0.902 1.00 74.14 N ATOM 0 H ARG A 81 0.356 -8.807 4.776 1.00 2.43 H new ATOM 0 HA ARG A 81 -1.270 -9.902 2.747 1.00 0.11 H new ATOM 0 HB2 ARG A 81 -0.887 -10.707 5.661 1.00 45.51 H new ATOM 0 HB3 ARG A 81 -1.684 -11.701 4.458 1.00 45.51 H new ATOM 0 HG2 ARG A 81 1.230 -10.828 4.421 1.00 12.10 H new ATOM 0 HG3 ARG A 81 0.633 -12.431 4.798 1.00 12.10 H new ATOM 0 HD2 ARG A 81 0.394 -11.010 2.113 1.00 10.43 H new ATOM 0 HD3 ARG A 81 1.474 -12.339 2.487 1.00 10.43 H new ATOM 0 HE ARG A 81 -1.187 -13.180 3.070 1.00 55.40 H new ATOM 0 HH11 ARG A 81 0.868 -12.372 0.364 1.00 62.41 H new ATOM 0 HH12 ARG A 81 -0.044 -13.388 -0.757 1.00 62.41 H new ATOM 0 HH21 ARG A 81 -2.314 -14.441 1.656 1.00 74.14 H new ATOM 0 HH22 ARG A 81 -1.818 -14.542 -0.037 1.00 74.14 H new ATOM 1288 N GLU A 82 -2.894 -8.412 5.181 1.00 61.44 N ATOM 1289 CA GLU A 82 -4.214 -7.875 5.544 1.00 44.11 C ATOM 1290 C GLU A 82 -4.725 -6.913 4.456 1.00 55.42 C ATOM 1291 O GLU A 82 -5.906 -6.936 4.085 1.00 55.11 O ATOM 1292 CB GLU A 82 -4.167 -7.174 6.921 1.00 52.52 C ATOM 1293 CG GLU A 82 -5.068 -7.821 7.978 1.00 71.25 C ATOM 1294 CD GLU A 82 -4.611 -9.216 8.394 1.00 74.52 C ATOM 1295 OE1 GLU A 82 -4.689 -10.150 7.563 1.00 62.41 O ATOM 1296 OE2 GLU A 82 -4.182 -9.389 9.556 1.00 53.23 O ATOM 0 H GLU A 82 -2.127 -8.076 5.763 1.00 61.44 H new ATOM 0 HA GLU A 82 -4.911 -8.709 5.617 1.00 44.11 H new ATOM 0 HB2 GLU A 82 -3.139 -7.176 7.284 1.00 52.52 H new ATOM 0 HB3 GLU A 82 -4.460 -6.131 6.797 1.00 52.52 H new ATOM 0 HG2 GLU A 82 -5.100 -7.180 8.859 1.00 71.25 H new ATOM 0 HG3 GLU A 82 -6.085 -7.881 7.590 1.00 71.25 H new ATOM 1303 N PHE A 83 -3.824 -6.078 3.943 1.00 50.25 N ATOM 1304 CA PHE A 83 -4.126 -5.219 2.792 1.00 1.01 C ATOM 1305 C PHE A 83 -4.588 -6.068 1.592 1.00 40.14 C ATOM 1306 O PHE A 83 -5.583 -5.756 0.932 1.00 44.41 O ATOM 1307 CB PHE A 83 -2.881 -4.398 2.422 1.00 73.55 C ATOM 1308 CG PHE A 83 -3.029 -3.571 1.169 1.00 13.45 C ATOM 1309 CD1 PHE A 83 -3.805 -2.423 1.169 1.00 3.14 C ATOM 1310 CD2 PHE A 83 -2.387 -3.941 -0.008 1.00 25.45 C ATOM 1311 CE1 PHE A 83 -3.942 -1.661 0.027 1.00 70.24 C ATOM 1312 CE2 PHE A 83 -2.521 -3.182 -1.153 1.00 51.44 C ATOM 1313 CZ PHE A 83 -3.298 -2.041 -1.137 1.00 72.12 C ATOM 0 H PHE A 83 -2.876 -5.975 4.305 1.00 50.25 H new ATOM 0 HA PHE A 83 -4.935 -4.539 3.058 1.00 1.01 H new ATOM 0 HB2 PHE A 83 -2.637 -3.736 3.253 1.00 73.55 H new ATOM 0 HB3 PHE A 83 -2.037 -5.077 2.297 1.00 73.55 H new ATOM 0 HD1 PHE A 83 -4.309 -2.121 2.075 1.00 3.14 H new ATOM 0 HD2 PHE A 83 -1.777 -4.832 -0.026 1.00 25.45 H new ATOM 0 HE1 PHE A 83 -4.551 -0.769 0.042 1.00 70.24 H new ATOM 0 HE2 PHE A 83 -2.018 -3.481 -2.061 1.00 51.44 H new ATOM 0 HZ PHE A 83 -3.403 -1.446 -2.032 1.00 72.12 H new ATOM 1323 N LEU A 84 -3.860 -7.154 1.333 1.00 34.53 N ATOM 1324 CA LEU A 84 -4.212 -8.095 0.265 1.00 52.44 C ATOM 1325 C LEU A 84 -5.565 -8.776 0.533 1.00 40.44 C ATOM 1326 O LEU A 84 -6.331 -9.033 -0.393 1.00 14.50 O ATOM 1327 CB LEU A 84 -3.111 -9.153 0.116 1.00 12.44 C ATOM 1328 CG LEU A 84 -1.728 -8.613 -0.286 1.00 61.14 C ATOM 1329 CD1 LEU A 84 -0.688 -9.731 -0.286 1.00 24.24 C ATOM 1330 CD2 LEU A 84 -1.792 -7.932 -1.652 1.00 65.20 C ATOM 0 H LEU A 84 -3.018 -7.406 1.850 1.00 34.53 H new ATOM 0 HA LEU A 84 -4.302 -7.530 -0.663 1.00 52.44 H new ATOM 0 HB2 LEU A 84 -3.013 -9.687 1.061 1.00 12.44 H new ATOM 0 HB3 LEU A 84 -3.429 -9.881 -0.630 1.00 12.44 H new ATOM 0 HG LEU A 84 -1.425 -7.870 0.452 1.00 61.14 H new ATOM 0 HD11 LEU A 84 0.282 -9.325 -0.573 1.00 24.24 H new ATOM 0 HD12 LEU A 84 -0.619 -10.164 0.712 1.00 24.24 H new ATOM 0 HD13 LEU A 84 -0.983 -10.503 -0.997 1.00 24.24 H new ATOM 0 HD21 LEU A 84 -0.804 -7.557 -1.918 1.00 65.20 H new ATOM 0 HD22 LEU A 84 -2.121 -8.651 -2.402 1.00 65.20 H new ATOM 0 HD23 LEU A 84 -2.497 -7.101 -1.612 1.00 65.20 H new ATOM 1342 N ARG A 85 -5.848 -9.063 1.806 1.00 13.54 N ATOM 1343 CA ARG A 85 -7.123 -9.678 2.204 1.00 20.40 C ATOM 1344 C ARG A 85 -8.320 -8.838 1.723 1.00 55.34 C ATOM 1345 O ARG A 85 -9.190 -9.327 1.000 1.00 62.25 O ATOM 1346 CB ARG A 85 -7.186 -9.833 3.736 1.00 54.24 C ATOM 1347 CG ARG A 85 -8.430 -10.570 4.236 1.00 35.15 C ATOM 1348 CD ARG A 85 -8.587 -10.487 5.758 1.00 24.51 C ATOM 1349 NE ARG A 85 -7.425 -11.011 6.482 1.00 31.22 N ATOM 1350 CZ ARG A 85 -7.500 -11.722 7.580 1.00 62.41 C ATOM 1351 NH1 ARG A 85 -8.646 -12.049 8.085 1.00 61.02 N ATOM 1352 NH2 ARG A 85 -6.420 -12.099 8.181 1.00 73.24 N ATOM 0 H ARG A 85 -5.212 -8.880 2.582 1.00 13.54 H new ATOM 0 HA ARG A 85 -7.178 -10.661 1.736 1.00 20.40 H new ATOM 0 HB2 ARG A 85 -6.299 -10.369 4.074 1.00 54.24 H new ATOM 0 HB3 ARG A 85 -7.154 -8.844 4.193 1.00 54.24 H new ATOM 0 HG2 ARG A 85 -9.315 -10.149 3.759 1.00 35.15 H new ATOM 0 HG3 ARG A 85 -8.374 -11.616 3.936 1.00 35.15 H new ATOM 0 HD2 ARG A 85 -8.749 -9.448 6.045 1.00 24.51 H new ATOM 0 HD3 ARG A 85 -9.476 -11.043 6.057 1.00 24.51 H new ATOM 0 HE ARG A 85 -6.498 -10.809 6.107 1.00 31.22 H new ATOM 0 HH11 ARG A 85 -9.508 -11.753 7.627 1.00 61.02 H new ATOM 0 HH12 ARG A 85 -8.687 -12.603 8.940 1.00 61.02 H new ATOM 0 HH21 ARG A 85 -5.509 -11.843 7.801 1.00 73.24 H new ATOM 0 HH22 ARG A 85 -6.479 -12.652 9.036 1.00 73.24 H new ATOM 1366 N GLY A 86 -8.347 -7.568 2.128 1.00 51.34 N ATOM 1367 CA GLY A 86 -9.443 -6.679 1.750 1.00 23.31 C ATOM 1368 C GLY A 86 -9.557 -6.464 0.241 1.00 2.32 C ATOM 1369 O GLY A 86 -10.620 -6.687 -0.351 1.00 4.01 O ATOM 0 H GLY A 86 -7.630 -7.136 2.711 1.00 51.34 H new ATOM 0 HA2 GLY A 86 -10.381 -7.091 2.123 1.00 23.31 H new ATOM 0 HA3 GLY A 86 -9.303 -5.714 2.238 1.00 23.31 H new ATOM 1373 N CYS A 87 -8.458 -6.040 -0.385 1.00 72.31 N ATOM 1374 CA CYS A 87 -8.431 -5.791 -1.835 1.00 4.13 C ATOM 1375 C CYS A 87 -8.705 -7.072 -2.642 1.00 73.20 C ATOM 1376 O CYS A 87 -9.328 -7.031 -3.703 1.00 42.05 O ATOM 1377 CB CYS A 87 -7.076 -5.199 -2.244 1.00 53.43 C ATOM 1378 SG CYS A 87 -6.680 -3.635 -1.429 1.00 63.35 S ATOM 0 H CYS A 87 -7.572 -5.860 0.087 1.00 72.31 H new ATOM 0 HA CYS A 87 -9.225 -5.079 -2.060 1.00 4.13 H new ATOM 0 HB2 CYS A 87 -6.292 -5.923 -2.019 1.00 53.43 H new ATOM 0 HB3 CYS A 87 -7.069 -5.046 -3.323 1.00 53.43 H new ATOM 0 HG CYS A 87 -5.404 -3.406 -1.527 1.00 63.35 H new ATOM 1384 N GLY A 88 -8.238 -8.207 -2.134 1.00 54.32 N ATOM 1385 CA GLY A 88 -8.451 -9.485 -2.808 1.00 24.35 C ATOM 1386 C GLY A 88 -9.877 -10.013 -2.674 1.00 75.40 C ATOM 1387 O GLY A 88 -10.413 -10.618 -3.604 1.00 41.34 O ATOM 0 H GLY A 88 -7.712 -8.270 -1.262 1.00 54.32 H new ATOM 0 HA2 GLY A 88 -8.211 -9.374 -3.865 1.00 24.35 H new ATOM 0 HA3 GLY A 88 -7.759 -10.222 -2.400 1.00 24.35 H new ATOM 1391 N ALA A 89 -10.493 -9.791 -1.515 1.00 54.24 N ATOM 1392 CA ALA A 89 -11.855 -10.275 -1.256 1.00 2.40 C ATOM 1393 C ALA A 89 -12.924 -9.361 -1.879 1.00 72.14 C ATOM 1394 O ALA A 89 -13.622 -9.752 -2.818 1.00 3.52 O ATOM 1395 CB ALA A 89 -12.087 -10.410 0.248 1.00 71.25 C ATOM 0 H ALA A 89 -10.074 -9.280 -0.738 1.00 54.24 H new ATOM 0 HA ALA A 89 -11.949 -11.253 -1.728 1.00 2.40 H new ATOM 0 HB1 ALA A 89 -13.100 -10.770 0.429 1.00 71.25 H new ATOM 0 HB2 ALA A 89 -11.371 -11.118 0.665 1.00 71.25 H new ATOM 0 HB3 ALA A 89 -11.956 -9.439 0.725 1.00 71.25 H new ATOM 1401 N SER A 90 -13.036 -8.138 -1.360 1.00 31.04 N ATOM 1402 CA SER A 90 -14.091 -7.204 -1.789 1.00 51.42 C ATOM 1403 C SER A 90 -13.846 -6.654 -3.201 1.00 41.40 C ATOM 1404 O SER A 90 -14.764 -6.585 -4.023 1.00 22.22 O ATOM 1405 CB SER A 90 -14.210 -6.039 -0.795 1.00 60.13 C ATOM 1406 OG SER A 90 -15.194 -5.103 -1.205 1.00 51.21 O ATOM 0 H SER A 90 -12.413 -7.766 -0.643 1.00 31.04 H new ATOM 0 HA SER A 90 -15.024 -7.768 -1.811 1.00 51.42 H new ATOM 0 HB2 SER A 90 -14.464 -6.426 0.192 1.00 60.13 H new ATOM 0 HB3 SER A 90 -13.246 -5.538 -0.703 1.00 60.13 H new ATOM 0 HG SER A 90 -15.246 -4.375 -0.551 1.00 51.21 H new ATOM 1412 N LEU A 91 -12.609 -6.262 -3.483 1.00 11.50 N ATOM 1413 CA LEU A 91 -12.264 -5.667 -4.781 1.00 3.23 C ATOM 1414 C LEU A 91 -11.847 -6.726 -5.818 1.00 42.30 C ATOM 1415 O LEU A 91 -12.022 -6.521 -7.021 1.00 64.22 O ATOM 1416 CB LEU A 91 -11.152 -4.630 -4.594 1.00 43.23 C ATOM 1417 CG LEU A 91 -11.545 -3.413 -3.741 1.00 51.33 C ATOM 1418 CD1 LEU A 91 -10.328 -2.545 -3.435 1.00 14.35 C ATOM 1419 CD2 LEU A 91 -12.628 -2.595 -4.445 1.00 23.24 C ATOM 0 H LEU A 91 -11.825 -6.343 -2.835 1.00 11.50 H new ATOM 0 HA LEU A 91 -13.158 -5.179 -5.171 1.00 3.23 H new ATOM 0 HB2 LEU A 91 -10.293 -5.118 -4.133 1.00 43.23 H new ATOM 0 HB3 LEU A 91 -10.831 -4.280 -5.575 1.00 43.23 H new ATOM 0 HG LEU A 91 -11.946 -3.776 -2.794 1.00 51.33 H new ATOM 0 HD11 LEU A 91 -10.633 -1.691 -2.830 1.00 14.35 H new ATOM 0 HD12 LEU A 91 -9.591 -3.132 -2.888 1.00 14.35 H new ATOM 0 HD13 LEU A 91 -9.890 -2.191 -4.368 1.00 14.35 H new ATOM 0 HD21 LEU A 91 -12.895 -1.737 -3.828 1.00 23.24 H new ATOM 0 HD22 LEU A 91 -12.253 -2.247 -5.408 1.00 23.24 H new ATOM 0 HD23 LEU A 91 -13.509 -3.217 -4.602 1.00 23.24 H new ATOM 1431 N ARG A 92 -11.280 -7.840 -5.350 1.00 21.22 N ATOM 1432 CA ARG A 92 -10.889 -8.957 -6.228 1.00 33.14 C ATOM 1433 C ARG A 92 -9.904 -8.501 -7.332 1.00 54.44 C ATOM 1434 O ARG A 92 -9.818 -9.094 -8.411 1.00 22.53 O ATOM 1435 CB ARG A 92 -12.155 -9.607 -6.827 1.00 0.20 C ATOM 1436 CG ARG A 92 -11.904 -10.895 -7.614 1.00 75.51 C ATOM 1437 CD ARG A 92 -11.130 -11.929 -6.801 1.00 61.43 C ATOM 1438 NE ARG A 92 -10.867 -13.140 -7.575 1.00 41.43 N ATOM 1439 CZ ARG A 92 -9.740 -13.395 -8.186 1.00 3.14 C ATOM 1440 NH1 ARG A 92 -8.759 -12.550 -8.141 1.00 64.23 N ATOM 1441 NH2 ARG A 92 -9.597 -14.496 -8.846 1.00 54.01 N ATOM 0 H ARG A 92 -11.078 -7.998 -4.363 1.00 21.22 H new ATOM 0 HA ARG A 92 -10.360 -9.701 -5.633 1.00 33.14 H new ATOM 0 HB2 ARG A 92 -12.853 -9.822 -6.018 1.00 0.20 H new ATOM 0 HB3 ARG A 92 -12.641 -8.885 -7.484 1.00 0.20 H new ATOM 0 HG2 ARG A 92 -12.858 -11.320 -7.924 1.00 75.51 H new ATOM 0 HG3 ARG A 92 -11.349 -10.661 -8.522 1.00 75.51 H new ATOM 0 HD2 ARG A 92 -10.186 -11.498 -6.469 1.00 61.43 H new ATOM 0 HD3 ARG A 92 -11.696 -12.185 -5.906 1.00 61.43 H new ATOM 0 HE ARG A 92 -11.613 -13.833 -7.643 1.00 41.43 H new ATOM 0 HH11 ARG A 92 -8.862 -11.676 -7.625 1.00 64.23 H new ATOM 0 HH12 ARG A 92 -7.884 -12.759 -8.621 1.00 64.23 H new ATOM 0 HH21 ARG A 92 -10.364 -15.167 -8.891 1.00 54.01 H new ATOM 0 HH22 ARG A 92 -8.717 -14.694 -9.323 1.00 54.01 H new ATOM 1455 N LEU A 93 -9.129 -7.462 -7.035 1.00 64.30 N ATOM 1456 CA LEU A 93 -8.149 -6.928 -7.988 1.00 52.40 C ATOM 1457 C LEU A 93 -6.817 -7.703 -7.935 1.00 13.22 C ATOM 1458 O LEU A 93 -6.642 -8.598 -7.103 1.00 3.12 O ATOM 1459 CB LEU A 93 -7.939 -5.423 -7.725 1.00 13.44 C ATOM 1460 CG LEU A 93 -7.608 -5.016 -6.270 1.00 3.33 C ATOM 1461 CD1 LEU A 93 -6.148 -5.296 -5.924 1.00 25.42 C ATOM 1462 CD2 LEU A 93 -7.937 -3.544 -6.034 1.00 21.44 C ATOM 0 H LEU A 93 -9.157 -6.970 -6.142 1.00 64.30 H new ATOM 0 HA LEU A 93 -8.541 -7.057 -8.997 1.00 52.40 H new ATOM 0 HB2 LEU A 93 -7.132 -5.074 -8.369 1.00 13.44 H new ATOM 0 HB3 LEU A 93 -8.842 -4.894 -8.030 1.00 13.44 H new ATOM 0 HG LEU A 93 -8.228 -5.625 -5.612 1.00 3.33 H new ATOM 0 HD11 LEU A 93 -5.954 -4.997 -4.894 1.00 25.42 H new ATOM 0 HD12 LEU A 93 -5.945 -6.361 -6.037 1.00 25.42 H new ATOM 0 HD13 LEU A 93 -5.500 -4.730 -6.594 1.00 25.42 H new ATOM 0 HD21 LEU A 93 -7.697 -3.278 -5.005 1.00 21.44 H new ATOM 0 HD22 LEU A 93 -7.351 -2.927 -6.715 1.00 21.44 H new ATOM 0 HD23 LEU A 93 -8.999 -3.375 -6.214 1.00 21.44 H new ATOM 1474 N GLU A 94 -5.889 -7.358 -8.834 1.00 2.34 N ATOM 1475 CA GLU A 94 -4.569 -8.013 -8.890 1.00 32.14 C ATOM 1476 C GLU A 94 -3.827 -7.905 -7.548 1.00 52.12 C ATOM 1477 O GLU A 94 -3.467 -6.811 -7.115 1.00 20.21 O ATOM 1478 CB GLU A 94 -3.707 -7.392 -10.005 1.00 13.03 C ATOM 1479 CG GLU A 94 -4.247 -7.620 -11.414 1.00 5.23 C ATOM 1480 CD GLU A 94 -3.371 -6.985 -12.488 1.00 72.23 C ATOM 1481 OE1 GLU A 94 -2.316 -7.564 -12.827 1.00 44.44 O ATOM 1482 OE2 GLU A 94 -3.732 -5.901 -12.999 1.00 64.13 O ATOM 0 H GLU A 94 -6.024 -6.629 -9.535 1.00 2.34 H new ATOM 0 HA GLU A 94 -4.738 -9.068 -9.105 1.00 32.14 H new ATOM 0 HB2 GLU A 94 -3.623 -6.320 -9.829 1.00 13.03 H new ATOM 0 HB3 GLU A 94 -2.700 -7.805 -9.943 1.00 13.03 H new ATOM 0 HG2 GLU A 94 -4.325 -8.691 -11.600 1.00 5.23 H new ATOM 0 HG3 GLU A 94 -5.255 -7.210 -11.483 1.00 5.23 H new ATOM 1489 N THR A 95 -3.607 -9.041 -6.887 1.00 31.13 N ATOM 1490 CA THR A 95 -2.906 -9.051 -5.596 1.00 43.51 C ATOM 1491 C THR A 95 -1.479 -9.599 -5.726 1.00 65.40 C ATOM 1492 O THR A 95 -1.259 -10.694 -6.247 1.00 51.35 O ATOM 1493 CB THR A 95 -3.660 -9.877 -4.525 1.00 44.11 C ATOM 1494 OG1 THR A 95 -3.796 -11.246 -4.943 1.00 2.54 O ATOM 1495 CG2 THR A 95 -5.041 -9.292 -4.242 1.00 20.21 C ATOM 0 H THR A 95 -3.900 -9.961 -7.217 1.00 31.13 H new ATOM 0 HA THR A 95 -2.866 -8.010 -5.276 1.00 43.51 H new ATOM 0 HB THR A 95 -3.071 -9.836 -3.609 1.00 44.11 H new ATOM 0 HG1 THR A 95 -2.989 -11.522 -5.426 1.00 2.54 H new ATOM 0 HG21 THR A 95 -5.544 -9.895 -3.486 1.00 20.21 H new ATOM 0 HG22 THR A 95 -4.936 -8.270 -3.879 1.00 20.21 H new ATOM 0 HG23 THR A 95 -5.631 -9.293 -5.158 1.00 20.21 H new ATOM 1503 N PHE A 96 -0.515 -8.823 -5.243 1.00 73.13 N ATOM 1504 CA PHE A 96 0.902 -9.209 -5.267 1.00 13.42 C ATOM 1505 C PHE A 96 1.273 -10.046 -4.030 1.00 70.31 C ATOM 1506 O PHE A 96 0.428 -10.319 -3.173 1.00 42.41 O ATOM 1507 CB PHE A 96 1.780 -7.949 -5.330 1.00 43.31 C ATOM 1508 CG PHE A 96 1.554 -6.991 -4.177 1.00 75.53 C ATOM 1509 CD1 PHE A 96 0.465 -6.129 -4.175 1.00 54.24 C ATOM 1510 CD2 PHE A 96 2.432 -6.953 -3.102 1.00 42.04 C ATOM 1511 CE1 PHE A 96 0.256 -5.255 -3.125 1.00 13.40 C ATOM 1512 CE2 PHE A 96 2.227 -6.081 -2.050 1.00 45.30 C ATOM 1513 CZ PHE A 96 1.137 -5.230 -2.061 1.00 2.51 C ATOM 0 H PHE A 96 -0.687 -7.909 -4.823 1.00 73.13 H new ATOM 0 HA PHE A 96 1.075 -9.821 -6.152 1.00 13.42 H new ATOM 0 HB2 PHE A 96 2.828 -8.248 -5.343 1.00 43.31 H new ATOM 0 HB3 PHE A 96 1.586 -7.428 -6.267 1.00 43.31 H new ATOM 0 HD1 PHE A 96 -0.227 -6.142 -5.004 1.00 54.24 H new ATOM 0 HD2 PHE A 96 3.286 -7.614 -3.088 1.00 42.04 H new ATOM 0 HE1 PHE A 96 -0.596 -4.591 -3.136 1.00 13.40 H new ATOM 0 HE2 PHE A 96 2.917 -6.064 -1.220 1.00 45.30 H new ATOM 0 HZ PHE A 96 0.975 -4.547 -1.240 1.00 2.51 H new ATOM 1523 N ASP A 97 2.535 -10.461 -3.947 1.00 63.24 N ATOM 1524 CA ASP A 97 3.035 -11.180 -2.775 1.00 10.33 C ATOM 1525 C ASP A 97 3.771 -10.212 -1.831 1.00 22.25 C ATOM 1526 O ASP A 97 4.438 -9.280 -2.281 1.00 14.34 O ATOM 1527 CB ASP A 97 3.960 -12.320 -3.215 1.00 32.01 C ATOM 1528 CG ASP A 97 4.449 -13.152 -2.047 1.00 5.42 C ATOM 1529 OD1 ASP A 97 3.738 -14.091 -1.636 1.00 64.31 O ATOM 1530 OD2 ASP A 97 5.544 -12.868 -1.526 1.00 64.03 O ATOM 0 H ASP A 97 3.231 -10.312 -4.677 1.00 63.24 H new ATOM 0 HA ASP A 97 2.192 -11.609 -2.234 1.00 10.33 H new ATOM 0 HB2 ASP A 97 3.431 -12.963 -3.919 1.00 32.01 H new ATOM 0 HB3 ASP A 97 4.817 -11.905 -3.745 1.00 32.01 H new ATOM 1535 N ALA A 98 3.654 -10.442 -0.524 1.00 53.21 N ATOM 1536 CA ALA A 98 4.233 -9.537 0.479 1.00 64.13 C ATOM 1537 C ALA A 98 5.744 -9.312 0.273 1.00 70.23 C ATOM 1538 O ALA A 98 6.274 -8.244 0.591 1.00 30.23 O ATOM 1539 CB ALA A 98 3.960 -10.069 1.882 1.00 32.33 C ATOM 0 H ALA A 98 3.165 -11.246 -0.131 1.00 53.21 H new ATOM 0 HA ALA A 98 3.751 -8.567 0.356 1.00 64.13 H new ATOM 0 HB1 ALA A 98 4.393 -9.392 2.618 1.00 32.33 H new ATOM 0 HB2 ALA A 98 2.884 -10.139 2.042 1.00 32.33 H new ATOM 0 HB3 ALA A 98 4.408 -11.057 1.990 1.00 32.33 H new ATOM 1545 N ASN A 99 6.433 -10.313 -0.270 1.00 0.52 N ATOM 1546 CA ASN A 99 7.880 -10.222 -0.497 1.00 12.42 C ATOM 1547 C ASN A 99 8.227 -9.298 -1.676 1.00 4.10 C ATOM 1548 O ASN A 99 9.307 -8.705 -1.704 1.00 70.21 O ATOM 1549 CB ASN A 99 8.473 -11.616 -0.714 1.00 53.32 C ATOM 1550 CG ASN A 99 8.412 -12.459 0.547 1.00 54.12 C ATOM 1551 OD1 ASN A 99 9.325 -12.443 1.362 1.00 15.23 O ATOM 1552 ND2 ASN A 99 7.341 -13.204 0.717 1.00 73.14 N ATOM 0 H ASN A 99 6.017 -11.197 -0.562 1.00 0.52 H new ATOM 0 HA ASN A 99 8.322 -9.781 0.397 1.00 12.42 H new ATOM 0 HB2 ASN A 99 7.932 -12.120 -1.514 1.00 53.32 H new ATOM 0 HB3 ASN A 99 9.509 -11.523 -1.039 1.00 53.32 H new ATOM 0 HD21 ASN A 99 7.254 -13.791 1.547 1.00 73.14 H new ATOM 0 HD22 ASN A 99 6.597 -13.195 0.019 1.00 73.14 H new ATOM 1559 N ASP A 100 7.315 -9.161 -2.640 1.00 32.12 N ATOM 1560 CA ASP A 100 7.535 -8.259 -3.778 1.00 73.40 C ATOM 1561 C ASP A 100 7.780 -6.821 -3.303 1.00 40.30 C ATOM 1562 O ASP A 100 8.640 -6.117 -3.831 1.00 15.44 O ATOM 1563 CB ASP A 100 6.346 -8.294 -4.743 1.00 20.23 C ATOM 1564 CG ASP A 100 6.255 -9.604 -5.501 1.00 22.13 C ATOM 1565 OD1 ASP A 100 7.216 -9.938 -6.227 1.00 61.43 O ATOM 1566 OD2 ASP A 100 5.218 -10.292 -5.406 1.00 4.10 O ATOM 0 H ASP A 100 6.424 -9.657 -2.659 1.00 32.12 H new ATOM 0 HA ASP A 100 8.423 -8.607 -4.305 1.00 73.40 H new ATOM 0 HB2 ASP A 100 5.423 -8.136 -4.184 1.00 20.23 H new ATOM 0 HB3 ASP A 100 6.434 -7.472 -5.453 1.00 20.23 H new ATOM 1571 N LEU A 101 7.024 -6.401 -2.294 1.00 21.14 N ATOM 1572 CA LEU A 101 7.167 -5.057 -1.723 1.00 63.14 C ATOM 1573 C LEU A 101 8.248 -5.018 -0.629 1.00 71.21 C ATOM 1574 O LEU A 101 9.157 -4.188 -0.672 1.00 15.31 O ATOM 1575 CB LEU A 101 5.824 -4.588 -1.148 1.00 73.12 C ATOM 1576 CG LEU A 101 5.836 -3.193 -0.501 1.00 50.44 C ATOM 1577 CD1 LEU A 101 6.217 -2.120 -1.521 1.00 21.31 C ATOM 1578 CD2 LEU A 101 4.478 -2.889 0.124 1.00 4.25 C ATOM 0 H LEU A 101 6.303 -6.970 -1.851 1.00 21.14 H new ATOM 0 HA LEU A 101 7.477 -4.385 -2.523 1.00 63.14 H new ATOM 0 HB2 LEU A 101 5.084 -4.593 -1.948 1.00 73.12 H new ATOM 0 HB3 LEU A 101 5.494 -5.313 -0.404 1.00 73.12 H new ATOM 0 HG LEU A 101 6.589 -3.186 0.287 1.00 50.44 H new ATOM 0 HD11 LEU A 101 6.218 -1.143 -1.038 1.00 21.31 H new ATOM 0 HD12 LEU A 101 7.211 -2.330 -1.916 1.00 21.31 H new ATOM 0 HD13 LEU A 101 5.494 -2.121 -2.337 1.00 21.31 H new ATOM 0 HD21 LEU A 101 4.500 -1.899 0.579 1.00 4.25 H new ATOM 0 HD22 LEU A 101 3.708 -2.917 -0.647 1.00 4.25 H new ATOM 0 HD23 LEU A 101 4.254 -3.634 0.888 1.00 4.25 H new ATOM 1590 N TYR A 102 8.153 -5.928 0.344 1.00 3.35 N ATOM 1591 CA TYR A 102 9.082 -5.942 1.485 1.00 62.12 C ATOM 1592 C TYR A 102 10.528 -6.223 1.043 1.00 71.42 C ATOM 1593 O TYR A 102 11.442 -5.464 1.368 1.00 32.02 O ATOM 1594 CB TYR A 102 8.640 -6.979 2.525 1.00 14.04 C ATOM 1595 CG TYR A 102 9.419 -6.903 3.826 1.00 72.02 C ATOM 1596 CD1 TYR A 102 9.233 -5.840 4.701 1.00 40.23 C ATOM 1597 CD2 TYR A 102 10.341 -7.885 4.179 1.00 31.41 C ATOM 1598 CE1 TYR A 102 9.936 -5.757 5.887 1.00 41.32 C ATOM 1599 CE2 TYR A 102 11.047 -7.808 5.365 1.00 31.34 C ATOM 1600 CZ TYR A 102 10.841 -6.741 6.215 1.00 32.33 C ATOM 1601 OH TYR A 102 11.540 -6.655 7.403 1.00 4.14 O ATOM 0 H TYR A 102 7.446 -6.663 0.368 1.00 3.35 H new ATOM 0 HA TYR A 102 9.058 -4.949 1.935 1.00 62.12 H new ATOM 0 HB2 TYR A 102 7.580 -6.840 2.737 1.00 14.04 H new ATOM 0 HB3 TYR A 102 8.752 -7.977 2.101 1.00 14.04 H new ATOM 0 HD1 TYR A 102 8.525 -5.064 4.449 1.00 40.23 H new ATOM 0 HD2 TYR A 102 10.507 -8.721 3.515 1.00 31.41 H new ATOM 0 HE1 TYR A 102 9.776 -4.923 6.555 1.00 41.32 H new ATOM 0 HE2 TYR A 102 11.757 -8.580 5.625 1.00 31.34 H new ATOM 0 HH TYR A 102 12.138 -7.427 7.487 1.00 4.14 H new ATOM 1611 N GLN A 103 10.735 -7.316 0.309 1.00 24.35 N ATOM 1612 CA GLN A 103 12.069 -7.648 -0.210 1.00 4.54 C ATOM 1613 C GLN A 103 12.391 -6.807 -1.458 1.00 60.32 C ATOM 1614 O GLN A 103 13.551 -6.664 -1.849 1.00 53.32 O ATOM 1615 CB GLN A 103 12.156 -9.142 -0.562 1.00 22.32 C ATOM 1616 CG GLN A 103 11.726 -10.088 0.559 1.00 71.54 C ATOM 1617 CD GLN A 103 12.579 -9.977 1.815 1.00 11.32 C ATOM 1618 OE1 GLN A 103 13.754 -9.636 1.761 1.00 20.14 O ATOM 1619 NE2 GLN A 103 11.995 -10.291 2.955 1.00 3.24 N ATOM 0 H GLN A 103 10.005 -7.984 0.060 1.00 24.35 H new ATOM 0 HA GLN A 103 12.797 -7.422 0.569 1.00 4.54 H new ATOM 0 HB2 GLN A 103 11.535 -9.332 -1.437 1.00 22.32 H new ATOM 0 HB3 GLN A 103 13.183 -9.376 -0.843 1.00 22.32 H new ATOM 0 HG2 GLN A 103 10.687 -9.883 0.817 1.00 71.54 H new ATOM 0 HG3 GLN A 103 11.767 -11.114 0.192 1.00 71.54 H new ATOM 0 HE21 GLN A 103 11.014 -10.571 2.965 1.00 3.24 H new ATOM 0 HE22 GLN A 103 12.524 -10.254 3.826 1.00 3.24 H new ATOM 1628 N GLY A 104 11.346 -6.260 -2.081 1.00 43.42 N ATOM 1629 CA GLY A 104 11.516 -5.421 -3.261 1.00 44.12 C ATOM 1630 C GLY A 104 11.819 -6.217 -4.527 1.00 61.43 C ATOM 1631 O GLY A 104 12.592 -5.768 -5.375 1.00 3.32 O ATOM 0 H GLY A 104 10.377 -6.384 -1.787 1.00 43.42 H new ATOM 0 HA2 GLY A 104 10.610 -4.836 -3.416 1.00 44.12 H new ATOM 0 HA3 GLY A 104 12.326 -4.714 -3.082 1.00 44.12 H new ATOM 1635 N GLN A 105 11.206 -7.395 -4.664 1.00 74.12 N ATOM 1636 CA GLN A 105 11.444 -8.261 -5.828 1.00 42.24 C ATOM 1637 C GLN A 105 10.807 -7.690 -7.107 1.00 42.44 C ATOM 1638 O GLN A 105 11.512 -7.329 -8.051 1.00 1.23 O ATOM 1639 CB GLN A 105 10.921 -9.680 -5.566 1.00 21.11 C ATOM 1640 CG GLN A 105 11.602 -10.379 -4.394 1.00 42.01 C ATOM 1641 CD GLN A 105 11.194 -11.836 -4.259 1.00 74.32 C ATOM 1642 OE1 GLN A 105 10.228 -12.168 -3.581 1.00 22.34 O ATOM 1643 NE2 GLN A 105 11.923 -12.716 -4.917 1.00 40.14 N ATOM 0 H GLN A 105 10.543 -7.773 -3.987 1.00 74.12 H new ATOM 0 HA GLN A 105 12.522 -8.303 -5.982 1.00 42.24 H new ATOM 0 HB2 GLN A 105 9.849 -9.633 -5.376 1.00 21.11 H new ATOM 0 HB3 GLN A 105 11.059 -10.280 -6.465 1.00 21.11 H new ATOM 0 HG2 GLN A 105 12.683 -10.319 -4.520 1.00 42.01 H new ATOM 0 HG3 GLN A 105 11.359 -9.852 -3.472 1.00 42.01 H new ATOM 0 HE21 GLN A 105 12.720 -12.405 -5.472 1.00 40.14 H new ATOM 0 HE22 GLN A 105 11.690 -13.708 -4.871 1.00 40.14 H new ATOM 1652 N ASN A 106 9.474 -7.622 -7.145 1.00 72.54 N ATOM 1653 CA ASN A 106 8.762 -7.043 -8.293 1.00 2.41 C ATOM 1654 C ASN A 106 7.783 -5.948 -7.841 1.00 23.15 C ATOM 1655 O ASN A 106 6.597 -6.212 -7.610 1.00 35.15 O ATOM 1656 CB ASN A 106 8.006 -8.130 -9.069 1.00 33.30 C ATOM 1657 CG ASN A 106 8.902 -9.283 -9.478 1.00 53.45 C ATOM 1658 OD1 ASN A 106 9.523 -9.264 -10.538 1.00 43.53 O ATOM 1659 ND2 ASN A 106 8.977 -10.301 -8.645 1.00 61.14 N ATOM 0 H ASN A 106 8.866 -7.958 -6.399 1.00 72.54 H new ATOM 0 HA ASN A 106 9.506 -6.593 -8.950 1.00 2.41 H new ATOM 0 HB2 ASN A 106 7.190 -8.509 -8.454 1.00 33.30 H new ATOM 0 HB3 ASN A 106 7.557 -7.690 -9.959 1.00 33.30 H new ATOM 0 HD21 ASN A 106 9.563 -11.104 -8.873 1.00 61.14 H new ATOM 0 HD22 ASN A 106 8.449 -10.286 -7.773 1.00 61.14 H new ATOM 1666 N PHE A 107 8.287 -4.721 -7.699 1.00 21.24 N ATOM 1667 CA PHE A 107 7.458 -3.589 -7.267 1.00 20.41 C ATOM 1668 C PHE A 107 6.392 -3.228 -8.314 1.00 55.22 C ATOM 1669 O PHE A 107 5.348 -2.674 -7.977 1.00 63.11 O ATOM 1670 CB PHE A 107 8.337 -2.363 -6.961 1.00 35.30 C ATOM 1671 CG PHE A 107 7.561 -1.174 -6.445 1.00 24.34 C ATOM 1672 CD1 PHE A 107 7.159 -1.116 -5.119 1.00 51.02 C ATOM 1673 CD2 PHE A 107 7.227 -0.120 -7.288 1.00 14.32 C ATOM 1674 CE1 PHE A 107 6.445 -0.033 -4.645 1.00 65.01 C ATOM 1675 CE2 PHE A 107 6.514 0.962 -6.816 1.00 24.45 C ATOM 1676 CZ PHE A 107 6.122 1.005 -5.493 1.00 30.42 C ATOM 0 H PHE A 107 9.263 -4.484 -7.876 1.00 21.24 H new ATOM 0 HA PHE A 107 6.940 -3.894 -6.358 1.00 20.41 H new ATOM 0 HB2 PHE A 107 9.090 -2.642 -6.224 1.00 35.30 H new ATOM 0 HB3 PHE A 107 8.869 -2.073 -7.867 1.00 35.30 H new ATOM 0 HD1 PHE A 107 7.407 -1.927 -4.450 1.00 51.02 H new ATOM 0 HD2 PHE A 107 7.529 -0.149 -8.324 1.00 14.32 H new ATOM 0 HE1 PHE A 107 6.140 0.001 -3.610 1.00 65.01 H new ATOM 0 HE2 PHE A 107 6.262 1.775 -7.481 1.00 24.45 H new ATOM 0 HZ PHE A 107 5.563 1.851 -5.122 1.00 30.42 H new ATOM 1686 N ASN A 108 6.655 -3.555 -9.579 1.00 34.53 N ATOM 1687 CA ASN A 108 5.722 -3.245 -10.671 1.00 34.40 C ATOM 1688 C ASN A 108 4.324 -3.840 -10.410 1.00 74.41 C ATOM 1689 O ASN A 108 3.307 -3.190 -10.666 1.00 73.24 O ATOM 1690 CB ASN A 108 6.280 -3.743 -12.015 1.00 74.25 C ATOM 1691 CG ASN A 108 6.486 -5.246 -12.052 1.00 62.32 C ATOM 1692 OD1 ASN A 108 6.751 -5.878 -11.034 1.00 65.31 O ATOM 1693 ND2 ASN A 108 6.374 -5.833 -13.225 1.00 3.31 N ATOM 0 H ASN A 108 7.505 -4.034 -9.877 1.00 34.53 H new ATOM 0 HA ASN A 108 5.615 -2.161 -10.717 1.00 34.40 H new ATOM 0 HB2 ASN A 108 5.597 -3.456 -12.814 1.00 74.25 H new ATOM 0 HB3 ASN A 108 7.230 -3.247 -12.214 1.00 74.25 H new ATOM 0 HD21 ASN A 108 6.508 -6.841 -13.306 1.00 3.31 H new ATOM 0 HD22 ASN A 108 6.153 -5.280 -14.053 1.00 3.31 H new ATOM 1700 N LYS A 109 4.280 -5.068 -9.884 1.00 34.01 N ATOM 1701 CA LYS A 109 3.009 -5.708 -9.519 1.00 41.55 C ATOM 1702 C LYS A 109 2.332 -4.952 -8.364 1.00 42.20 C ATOM 1703 O LYS A 109 1.114 -4.761 -8.354 1.00 12.33 O ATOM 1704 CB LYS A 109 3.231 -7.174 -9.116 1.00 14.52 C ATOM 1705 CG LYS A 109 3.857 -8.035 -10.212 1.00 11.41 C ATOM 1706 CD LYS A 109 3.979 -9.496 -9.781 1.00 72.54 C ATOM 1707 CE LYS A 109 4.817 -9.633 -8.518 1.00 74.30 C ATOM 1708 NZ LYS A 109 4.918 -11.036 -8.051 1.00 34.24 N ATOM 0 H LYS A 109 5.106 -5.638 -9.701 1.00 34.01 H new ATOM 0 HA LYS A 109 2.359 -5.677 -10.393 1.00 41.55 H new ATOM 0 HB2 LYS A 109 3.872 -7.204 -8.235 1.00 14.52 H new ATOM 0 HB3 LYS A 109 2.274 -7.610 -8.829 1.00 14.52 H new ATOM 0 HG2 LYS A 109 3.251 -7.971 -11.116 1.00 11.41 H new ATOM 0 HG3 LYS A 109 4.844 -7.645 -10.462 1.00 11.41 H new ATOM 0 HD2 LYS A 109 2.986 -9.910 -9.607 1.00 72.54 H new ATOM 0 HD3 LYS A 109 4.431 -10.078 -10.584 1.00 72.54 H new ATOM 0 HE2 LYS A 109 5.818 -9.244 -8.706 1.00 74.30 H new ATOM 0 HE3 LYS A 109 4.380 -9.022 -7.728 1.00 74.30 H new ATOM 0 HZ1 LYS A 109 4.885 -11.059 -7.012 1.00 34.24 H new ATOM 0 HZ2 LYS A 109 4.124 -11.588 -8.435 1.00 34.24 H new ATOM 0 HZ3 LYS A 109 5.815 -11.447 -8.378 1.00 34.24 H new ATOM 1722 N VAL A 110 3.139 -4.516 -7.397 1.00 51.04 N ATOM 1723 CA VAL A 110 2.639 -3.744 -6.255 1.00 3.15 C ATOM 1724 C VAL A 110 2.009 -2.424 -6.721 1.00 24.21 C ATOM 1725 O VAL A 110 0.859 -2.121 -6.409 1.00 10.44 O ATOM 1726 CB VAL A 110 3.774 -3.428 -5.245 1.00 20.23 C ATOM 1727 CG1 VAL A 110 3.221 -2.724 -4.005 1.00 3.21 C ATOM 1728 CG2 VAL A 110 4.534 -4.698 -4.866 1.00 43.30 C ATOM 0 H VAL A 110 4.145 -4.684 -7.380 1.00 51.04 H new ATOM 0 HA VAL A 110 1.884 -4.357 -5.763 1.00 3.15 H new ATOM 0 HB VAL A 110 4.478 -2.749 -5.727 1.00 20.23 H new ATOM 0 HG11 VAL A 110 4.036 -2.513 -3.312 1.00 3.21 H new ATOM 0 HG12 VAL A 110 2.744 -1.789 -4.300 1.00 3.21 H new ATOM 0 HG13 VAL A 110 2.488 -3.367 -3.518 1.00 3.21 H new ATOM 0 HG21 VAL A 110 5.324 -4.451 -4.157 1.00 43.30 H new ATOM 0 HG22 VAL A 110 3.847 -5.411 -4.410 1.00 43.30 H new ATOM 0 HG23 VAL A 110 4.974 -5.140 -5.760 1.00 43.30 H new ATOM 1738 N LEU A 111 2.781 -1.648 -7.482 1.00 34.00 N ATOM 1739 CA LEU A 111 2.315 -0.372 -8.028 1.00 42.13 C ATOM 1740 C LEU A 111 1.052 -0.558 -8.884 1.00 34.23 C ATOM 1741 O LEU A 111 0.085 0.191 -8.747 1.00 62.14 O ATOM 1742 CB LEU A 111 3.426 0.277 -8.864 1.00 30.34 C ATOM 1743 CG LEU A 111 3.096 1.667 -9.437 1.00 1.12 C ATOM 1744 CD1 LEU A 111 2.812 2.659 -8.311 1.00 0.24 C ATOM 1745 CD2 LEU A 111 4.230 2.165 -10.332 1.00 61.02 C ATOM 0 H LEU A 111 3.740 -1.883 -7.736 1.00 34.00 H new ATOM 0 HA LEU A 111 2.062 0.281 -7.193 1.00 42.13 H new ATOM 0 HB2 LEU A 111 4.320 0.361 -8.246 1.00 30.34 H new ATOM 0 HB3 LEU A 111 3.671 -0.389 -9.691 1.00 30.34 H new ATOM 0 HG LEU A 111 2.197 1.583 -10.048 1.00 1.12 H new ATOM 0 HD11 LEU A 111 2.581 3.636 -8.736 1.00 0.24 H new ATOM 0 HD12 LEU A 111 1.963 2.309 -7.723 1.00 0.24 H new ATOM 0 HD13 LEU A 111 3.689 2.741 -7.669 1.00 0.24 H new ATOM 0 HD21 LEU A 111 3.977 3.149 -10.727 1.00 61.02 H new ATOM 0 HD22 LEU A 111 5.149 2.233 -9.750 1.00 61.02 H new ATOM 0 HD23 LEU A 111 4.374 1.469 -11.158 1.00 61.02 H new ATOM 1757 N SER A 112 1.067 -1.563 -9.762 1.00 71.31 N ATOM 1758 CA SER A 112 -0.098 -1.879 -10.608 1.00 72.03 C ATOM 1759 C SER A 112 -1.347 -2.156 -9.755 1.00 61.41 C ATOM 1760 O SER A 112 -2.459 -1.734 -10.093 1.00 75.43 O ATOM 1761 CB SER A 112 0.198 -3.089 -11.503 1.00 32.24 C ATOM 1762 OG SER A 112 -0.897 -3.379 -12.360 1.00 12.12 O ATOM 0 H SER A 112 1.870 -2.175 -9.910 1.00 71.31 H new ATOM 0 HA SER A 112 -0.295 -1.010 -11.236 1.00 72.03 H new ATOM 0 HB2 SER A 112 1.088 -2.892 -12.101 1.00 32.24 H new ATOM 0 HB3 SER A 112 0.417 -3.958 -10.882 1.00 32.24 H new ATOM 0 HG SER A 112 -0.679 -4.154 -12.919 1.00 12.12 H new ATOM 1768 N SER A 113 -1.150 -2.860 -8.642 1.00 2.33 N ATOM 1769 CA SER A 113 -2.235 -3.138 -7.690 1.00 0.32 C ATOM 1770 C SER A 113 -2.757 -1.842 -7.047 1.00 40.10 C ATOM 1771 O SER A 113 -3.964 -1.650 -6.909 1.00 55.14 O ATOM 1772 CB SER A 113 -1.750 -4.104 -6.599 1.00 41.23 C ATOM 1773 OG SER A 113 -2.798 -4.454 -5.709 1.00 15.10 O ATOM 0 H SER A 113 -0.247 -3.252 -8.373 1.00 2.33 H new ATOM 0 HA SER A 113 -3.054 -3.600 -8.241 1.00 0.32 H new ATOM 0 HB2 SER A 113 -1.349 -5.005 -7.062 1.00 41.23 H new ATOM 0 HB3 SER A 113 -0.936 -3.643 -6.040 1.00 41.23 H new ATOM 0 HG SER A 113 -3.213 -5.291 -6.005 1.00 15.10 H new ATOM 1779 N LEU A 114 -1.836 -0.949 -6.678 1.00 2.21 N ATOM 1780 CA LEU A 114 -2.192 0.349 -6.085 1.00 43.44 C ATOM 1781 C LEU A 114 -2.992 1.220 -7.071 1.00 44.22 C ATOM 1782 O LEU A 114 -3.997 1.835 -6.703 1.00 24.04 O ATOM 1783 CB LEU A 114 -0.927 1.095 -5.637 1.00 0.02 C ATOM 1784 CG LEU A 114 -0.076 0.371 -4.577 1.00 61.35 C ATOM 1785 CD1 LEU A 114 1.200 1.154 -4.281 1.00 31.24 C ATOM 1786 CD2 LEU A 114 -0.884 0.146 -3.299 1.00 10.32 C ATOM 0 H LEU A 114 -0.832 -1.099 -6.779 1.00 2.21 H new ATOM 0 HA LEU A 114 -2.822 0.154 -5.218 1.00 43.44 H new ATOM 0 HB2 LEU A 114 -0.305 1.281 -6.513 1.00 0.02 H new ATOM 0 HB3 LEU A 114 -1.220 2.068 -5.242 1.00 0.02 H new ATOM 0 HG LEU A 114 0.209 -0.603 -4.975 1.00 61.35 H new ATOM 0 HD11 LEU A 114 1.786 0.624 -3.530 1.00 31.24 H new ATOM 0 HD12 LEU A 114 1.786 1.253 -5.195 1.00 31.24 H new ATOM 0 HD13 LEU A 114 0.941 2.144 -3.907 1.00 31.24 H new ATOM 0 HD21 LEU A 114 -0.265 -0.367 -2.563 1.00 10.32 H new ATOM 0 HD22 LEU A 114 -1.205 1.107 -2.897 1.00 10.32 H new ATOM 0 HD23 LEU A 114 -1.759 -0.463 -3.524 1.00 10.32 H new ATOM 1798 N VAL A 115 -2.541 1.267 -8.325 1.00 60.34 N ATOM 1799 CA VAL A 115 -3.249 2.010 -9.375 1.00 23.43 C ATOM 1800 C VAL A 115 -4.668 1.454 -9.573 1.00 52.21 C ATOM 1801 O VAL A 115 -5.642 2.209 -9.650 1.00 30.11 O ATOM 1802 CB VAL A 115 -2.479 1.963 -10.723 1.00 71.30 C ATOM 1803 CG1 VAL A 115 -3.245 2.707 -11.818 1.00 14.23 C ATOM 1804 CG2 VAL A 115 -1.075 2.541 -10.558 1.00 12.41 C ATOM 0 H VAL A 115 -1.690 0.801 -8.641 1.00 60.34 H new ATOM 0 HA VAL A 115 -3.312 3.048 -9.049 1.00 23.43 H new ATOM 0 HB VAL A 115 -2.389 0.920 -11.026 1.00 71.30 H new ATOM 0 HG11 VAL A 115 -2.684 2.659 -12.751 1.00 14.23 H new ATOM 0 HG12 VAL A 115 -4.222 2.244 -11.957 1.00 14.23 H new ATOM 0 HG13 VAL A 115 -3.376 3.749 -11.527 1.00 14.23 H new ATOM 0 HG21 VAL A 115 -0.550 2.500 -11.512 1.00 12.41 H new ATOM 0 HG22 VAL A 115 -1.145 3.577 -10.226 1.00 12.41 H new ATOM 0 HG23 VAL A 115 -0.527 1.959 -9.817 1.00 12.41 H new ATOM 1814 N THR A 116 -4.777 0.127 -9.644 1.00 62.21 N ATOM 1815 CA THR A 116 -6.085 -0.539 -9.724 1.00 63.43 C ATOM 1816 C THR A 116 -6.938 -0.212 -8.492 1.00 1.34 C ATOM 1817 O THR A 116 -8.128 0.077 -8.610 1.00 13.21 O ATOM 1818 CB THR A 116 -5.949 -2.079 -9.840 1.00 14.33 C ATOM 1819 OG1 THR A 116 -5.194 -2.428 -11.016 1.00 34.30 O ATOM 1820 CG2 THR A 116 -7.323 -2.748 -9.904 1.00 11.02 C ATOM 0 H THR A 116 -3.980 -0.510 -9.648 1.00 62.21 H new ATOM 0 HA THR A 116 -6.570 -0.163 -10.625 1.00 63.43 H new ATOM 0 HB THR A 116 -5.426 -2.434 -8.952 1.00 14.33 H new ATOM 0 HG1 THR A 116 -4.244 -2.247 -10.860 1.00 34.30 H new ATOM 0 HG21 THR A 116 -7.198 -3.828 -9.985 1.00 11.02 H new ATOM 0 HG22 THR A 116 -7.884 -2.514 -8.999 1.00 11.02 H new ATOM 0 HG23 THR A 116 -7.867 -2.379 -10.774 1.00 11.02 H new ATOM 1828 N LEU A 117 -6.308 -0.252 -7.316 1.00 15.31 N ATOM 1829 CA LEU A 117 -6.970 0.084 -6.049 1.00 62.12 C ATOM 1830 C LEU A 117 -7.648 1.461 -6.124 1.00 44.21 C ATOM 1831 O LEU A 117 -8.782 1.637 -5.677 1.00 35.45 O ATOM 1832 CB LEU A 117 -5.938 0.060 -4.909 1.00 0.31 C ATOM 1833 CG LEU A 117 -6.475 0.426 -3.515 1.00 1.13 C ATOM 1834 CD1 LEU A 117 -7.534 -0.570 -3.056 1.00 50.10 C ATOM 1835 CD2 LEU A 117 -5.337 0.509 -2.500 1.00 50.41 C ATOM 0 H LEU A 117 -5.328 -0.517 -7.213 1.00 15.31 H new ATOM 0 HA LEU A 117 -7.745 -0.658 -5.855 1.00 62.12 H new ATOM 0 HB2 LEU A 117 -5.502 -0.938 -4.860 1.00 0.31 H new ATOM 0 HB3 LEU A 117 -5.131 0.749 -5.160 1.00 0.31 H new ATOM 0 HG LEU A 117 -6.944 1.408 -3.585 1.00 1.13 H new ATOM 0 HD11 LEU A 117 -7.896 -0.287 -2.068 1.00 50.10 H new ATOM 0 HD12 LEU A 117 -8.365 -0.568 -3.761 1.00 50.10 H new ATOM 0 HD13 LEU A 117 -7.099 -1.568 -3.011 1.00 50.10 H new ATOM 0 HD21 LEU A 117 -5.741 0.769 -1.521 1.00 50.41 H new ATOM 0 HD22 LEU A 117 -4.832 -0.455 -2.440 1.00 50.41 H new ATOM 0 HD23 LEU A 117 -4.625 1.272 -2.813 1.00 50.41 H new ATOM 1847 N ASN A 118 -6.942 2.432 -6.695 1.00 5.24 N ATOM 1848 CA ASN A 118 -7.506 3.767 -6.928 1.00 11.12 C ATOM 1849 C ASN A 118 -8.676 3.712 -7.927 1.00 53.13 C ATOM 1850 O ASN A 118 -9.766 4.213 -7.652 1.00 52.24 O ATOM 1851 CB ASN A 118 -6.418 4.717 -7.452 1.00 40.03 C ATOM 1852 CG ASN A 118 -6.947 6.119 -7.715 1.00 32.22 C ATOM 1853 OD1 ASN A 118 -7.430 6.421 -8.800 1.00 71.15 O ATOM 1854 ND2 ASN A 118 -6.857 6.989 -6.730 1.00 13.42 N ATOM 0 H ASN A 118 -5.977 2.324 -7.007 1.00 5.24 H new ATOM 0 HA ASN A 118 -7.886 4.141 -5.977 1.00 11.12 H new ATOM 0 HB2 ASN A 118 -5.605 4.769 -6.727 1.00 40.03 H new ATOM 0 HB3 ASN A 118 -5.999 4.312 -8.373 1.00 40.03 H new ATOM 0 HD21 ASN A 118 -7.194 7.943 -6.860 1.00 13.42 H new ATOM 0 HD22 ASN A 118 -6.450 6.709 -5.838 1.00 13.42 H new ATOM 1861 N LYS A 119 -8.438 3.088 -9.079 1.00 14.23 N ATOM 1862 CA LYS A 119 -9.430 3.027 -10.165 1.00 60.34 C ATOM 1863 C LYS A 119 -10.756 2.384 -9.722 1.00 2.40 C ATOM 1864 O LYS A 119 -11.834 2.847 -10.100 1.00 51.12 O ATOM 1865 CB LYS A 119 -8.856 2.248 -11.355 1.00 72.34 C ATOM 1866 CG LYS A 119 -7.662 2.926 -12.019 1.00 4.44 C ATOM 1867 CD LYS A 119 -7.016 2.035 -13.077 1.00 44.31 C ATOM 1868 CE LYS A 119 -7.984 1.669 -14.199 1.00 74.32 C ATOM 1869 NZ LYS A 119 -8.465 2.867 -14.940 1.00 3.34 N ATOM 0 H LYS A 119 -7.561 2.612 -9.291 1.00 14.23 H new ATOM 0 HA LYS A 119 -9.647 4.055 -10.455 1.00 60.34 H new ATOM 0 HB2 LYS A 119 -8.556 1.256 -11.017 1.00 72.34 H new ATOM 0 HB3 LYS A 119 -9.641 2.108 -12.098 1.00 72.34 H new ATOM 0 HG2 LYS A 119 -7.985 3.860 -12.479 1.00 4.44 H new ATOM 0 HG3 LYS A 119 -6.923 3.183 -11.260 1.00 4.44 H new ATOM 0 HD2 LYS A 119 -6.151 2.546 -13.499 1.00 44.31 H new ATOM 0 HD3 LYS A 119 -6.649 1.123 -12.606 1.00 44.31 H new ATOM 0 HE2 LYS A 119 -7.492 0.988 -14.893 1.00 74.32 H new ATOM 0 HE3 LYS A 119 -8.838 1.136 -13.781 1.00 74.32 H new ATOM 0 HZ1 LYS A 119 -9.024 2.565 -15.764 1.00 3.34 H new ATOM 0 HZ2 LYS A 119 -9.058 3.448 -14.313 1.00 3.34 H new ATOM 0 HZ3 LYS A 119 -7.650 3.427 -15.261 1.00 3.34 H new ATOM 1883 N VAL A 120 -10.676 1.312 -8.937 1.00 63.25 N ATOM 1884 CA VAL A 120 -11.881 0.610 -8.480 1.00 4.30 C ATOM 1885 C VAL A 120 -12.630 1.402 -7.395 1.00 21.24 C ATOM 1886 O VAL A 120 -13.835 1.623 -7.504 1.00 34.40 O ATOM 1887 CB VAL A 120 -11.560 -0.827 -7.971 1.00 61.34 C ATOM 1888 CG1 VAL A 120 -11.048 -1.699 -9.116 1.00 73.23 C ATOM 1889 CG2 VAL A 120 -10.550 -0.806 -6.825 1.00 73.32 C ATOM 0 H VAL A 120 -9.799 0.910 -8.604 1.00 63.25 H new ATOM 0 HA VAL A 120 -12.533 0.524 -9.350 1.00 4.30 H new ATOM 0 HB VAL A 120 -12.487 -1.255 -7.589 1.00 61.34 H new ATOM 0 HG11 VAL A 120 -10.829 -2.699 -8.742 1.00 73.23 H new ATOM 0 HG12 VAL A 120 -11.809 -1.761 -9.894 1.00 73.23 H new ATOM 0 HG13 VAL A 120 -10.140 -1.260 -9.530 1.00 73.23 H new ATOM 0 HG21 VAL A 120 -10.351 -1.826 -6.497 1.00 73.32 H new ATOM 0 HG22 VAL A 120 -9.622 -0.347 -7.166 1.00 73.32 H new ATOM 0 HG23 VAL A 120 -10.955 -0.230 -5.993 1.00 73.32 H new ATOM 1899 N THR A 121 -11.913 1.867 -6.372 1.00 4.32 N ATOM 1900 CA THR A 121 -12.550 2.559 -5.236 1.00 34.34 C ATOM 1901 C THR A 121 -13.081 3.944 -5.627 1.00 1.13 C ATOM 1902 O THR A 121 -14.180 4.332 -5.223 1.00 22.03 O ATOM 1903 CB THR A 121 -11.583 2.713 -4.041 1.00 42.01 C ATOM 1904 OG1 THR A 121 -10.426 3.466 -4.432 1.00 20.50 O ATOM 1905 CG2 THR A 121 -11.151 1.346 -3.514 1.00 15.35 C ATOM 0 H THR A 121 -10.899 1.782 -6.300 1.00 4.32 H new ATOM 0 HA THR A 121 -13.389 1.930 -4.939 1.00 34.34 H new ATOM 0 HB THR A 121 -12.108 3.245 -3.247 1.00 42.01 H new ATOM 0 HG1 THR A 121 -9.810 2.886 -4.927 1.00 20.50 H new ATOM 0 HG21 THR A 121 -10.470 1.479 -2.673 1.00 15.35 H new ATOM 0 HG22 THR A 121 -12.028 0.788 -3.186 1.00 15.35 H new ATOM 0 HG23 THR A 121 -10.645 0.794 -4.306 1.00 15.35 H new ATOM 1913 N ALA A 122 -12.306 4.684 -6.418 1.00 24.32 N ATOM 1914 CA ALA A 122 -12.720 6.013 -6.876 1.00 1.41 C ATOM 1915 C ALA A 122 -14.024 5.946 -7.682 1.00 51.23 C ATOM 1916 O ALA A 122 -14.920 6.777 -7.510 1.00 74.20 O ATOM 1917 CB ALA A 122 -11.614 6.660 -7.705 1.00 10.23 C ATOM 0 H ALA A 122 -11.390 4.389 -6.755 1.00 24.32 H new ATOM 0 HA ALA A 122 -12.904 6.627 -5.994 1.00 1.41 H new ATOM 0 HB1 ALA A 122 -11.938 7.646 -8.037 1.00 10.23 H new ATOM 0 HB2 ALA A 122 -10.714 6.759 -7.097 1.00 10.23 H new ATOM 0 HB3 ALA A 122 -11.399 6.037 -8.573 1.00 10.23 H new ATOM 1923 N ASP A 123 -14.133 4.942 -8.553 1.00 13.31 N ATOM 1924 CA ASP A 123 -15.334 4.758 -9.369 1.00 3.04 C ATOM 1925 C ASP A 123 -16.551 4.381 -8.498 1.00 62.41 C ATOM 1926 O ASP A 123 -17.668 4.835 -8.753 1.00 73.02 O ATOM 1927 CB ASP A 123 -15.091 3.685 -10.434 1.00 3.12 C ATOM 1928 CG ASP A 123 -16.199 3.642 -11.471 1.00 23.12 C ATOM 1929 OD1 ASP A 123 -16.127 4.406 -12.456 1.00 33.13 O ATOM 1930 OD2 ASP A 123 -17.153 2.856 -11.302 1.00 13.22 O ATOM 0 H ASP A 123 -13.406 4.245 -8.712 1.00 13.31 H new ATOM 0 HA ASP A 123 -15.554 5.705 -9.862 1.00 3.04 H new ATOM 0 HB2 ASP A 123 -14.139 3.877 -10.930 1.00 3.12 H new ATOM 0 HB3 ASP A 123 -15.009 2.710 -9.953 1.00 3.12 H new