USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 GLN : amide:sc= 0.805 K(o=2.7,f=-0.75) USER MOD Set 1.2: A 74 SER OG : rot -115:sc= 1.89 USER MOD Single : A 10 TYR OH : rot -94:sc= 0.00449 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.04) USER MOD Single : A 26 GLN : amide:sc= 0.799 K(o=0.8,f=-0.81) USER MOD Single : A 28 ASN : amide:sc= 0.207 K(o=0.21,f=-8.7!) USER MOD Single : A 35 THR OG1 : rot 84:sc= 0.674 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 1.03 (180deg=1.02) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0031 USER MOD Single : A 57 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 169:sc= 1.25 USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 103 N LEU A 8 14.892 -1.526 0.009 1.00 0.00 N ATOM 104 CA LEU A 8 15.057 -1.829 1.426 1.00 0.00 C ATOM 105 C LEU A 8 16.521 -1.758 1.838 1.00 0.00 C ATOM 106 O LEU A 8 17.345 -2.547 1.375 1.00 0.00 O ATOM 107 CB LEU A 8 14.498 -3.223 1.738 1.00 0.00 C ATOM 108 CG LEU A 8 12.973 -3.311 1.884 1.00 0.00 C ATOM 109 CD1 LEU A 8 12.317 -3.016 0.542 1.00 0.00 C ATOM 110 CD2 LEU A 8 12.591 -4.695 2.387 1.00 0.00 C ATOM 0 HA LEU A 8 14.504 -1.081 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.809 -3.904 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.954 -3.579 2.662 1.00 0.00 H new ATOM 0 HG LEU A 8 12.624 -2.574 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.234 -3.078 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.593 -2.014 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.654 -3.744 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.508 -4.758 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.932 -5.447 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.059 -4.872 3.355 1.00 0.00 H new ATOM 122 N LEU A 9 16.840 -0.808 2.710 1.00 0.00 N ATOM 123 CA LEU A 9 18.214 -0.601 3.151 1.00 0.00 C ATOM 124 C LEU A 9 18.361 -0.871 4.643 1.00 0.00 C ATOM 125 O LEU A 9 17.442 -0.620 5.422 1.00 0.00 O ATOM 126 CB LEU A 9 18.662 0.832 2.837 1.00 0.00 C ATOM 127 CG LEU A 9 18.573 1.249 1.363 1.00 0.00 C ATOM 128 CD1 LEU A 9 18.921 2.726 1.231 1.00 0.00 C ATOM 129 CD2 LEU A 9 19.515 0.389 0.534 1.00 0.00 C ATOM 0 H LEU A 9 16.164 -0.168 3.126 1.00 0.00 H new ATOM 0 HA LEU A 9 18.848 -1.304 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.057 1.520 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.694 0.951 3.168 1.00 0.00 H new ATOM 0 HG LEU A 9 17.558 1.100 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 9 18.858 3.023 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 9 18.220 3.319 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 9 19.934 2.895 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 9 19.452 0.685 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 9 20.537 0.524 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.232 -0.659 0.632 1.00 0.00 H new ATOM 141 N TYR A 10 19.523 -1.383 5.035 1.00 0.00 N ATOM 142 CA TYR A 10 19.804 -1.658 6.439 1.00 0.00 C ATOM 143 C TYR A 10 21.138 -1.057 6.861 1.00 0.00 C ATOM 144 O TYR A 10 22.139 -1.183 6.155 1.00 0.00 O ATOM 145 CB TYR A 10 19.795 -3.166 6.701 1.00 0.00 C ATOM 146 CG TYR A 10 18.453 -3.820 6.458 1.00 0.00 C ATOM 147 CD1 TYR A 10 18.129 -4.291 5.194 1.00 0.00 C ATOM 148 CD2 TYR A 10 17.546 -3.948 7.500 1.00 0.00 C ATOM 149 CE1 TYR A 10 16.903 -4.888 4.973 1.00 0.00 C ATOM 150 CE2 TYR A 10 16.320 -4.545 7.278 1.00 0.00 C ATOM 151 CZ TYR A 10 15.998 -5.014 6.021 1.00 0.00 C ATOM 152 OH TYR A 10 14.777 -5.608 5.800 1.00 0.00 O ATOM 0 H TYR A 10 20.286 -1.616 4.399 1.00 0.00 H new ATOM 0 HA TYR A 10 19.019 -1.192 7.035 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.541 -3.641 6.063 1.00 0.00 H new ATOM 0 HB3 TYR A 10 20.096 -3.348 7.733 1.00 0.00 H new ATOM 0 HD1 TYR A 10 18.835 -4.191 4.383 1.00 0.00 H new ATOM 0 HD2 TYR A 10 17.798 -3.581 8.484 1.00 0.00 H new ATOM 0 HE1 TYR A 10 16.648 -5.255 3.990 1.00 0.00 H new ATOM 0 HE2 TYR A 10 15.613 -4.645 8.089 1.00 0.00 H new ATOM 0 HH TYR A 10 14.111 -4.919 5.595 1.00 0.00 H new ATOM 162 N ARG A 11 21.146 -0.402 8.018 1.00 0.00 N ATOM 163 CA ARG A 11 22.363 0.203 8.547 1.00 0.00 C ATOM 164 C ARG A 11 22.561 -0.152 10.015 1.00 0.00 C ATOM 165 O ARG A 11 21.918 0.421 10.894 1.00 0.00 O ATOM 166 CB ARG A 11 22.317 1.717 8.396 1.00 0.00 C ATOM 167 CG ARG A 11 23.557 2.446 8.886 1.00 0.00 C ATOM 168 CD ARG A 11 23.466 3.909 8.644 1.00 0.00 C ATOM 169 NE ARG A 11 24.651 4.611 9.110 1.00 0.00 N ATOM 170 CZ ARG A 11 24.827 5.064 10.367 1.00 0.00 C ATOM 171 NH1 ARG A 11 23.889 4.880 11.269 1.00 0.00 N ATOM 172 NH2 ARG A 11 25.943 5.692 10.692 1.00 0.00 N ATOM 0 H ARG A 11 20.323 -0.277 8.607 1.00 0.00 H new ATOM 0 HA ARG A 11 23.202 -0.193 7.974 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.163 1.958 7.344 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.452 2.096 8.940 1.00 0.00 H new ATOM 0 HG2 ARG A 11 23.690 2.261 9.952 1.00 0.00 H new ATOM 0 HG3 ARG A 11 24.437 2.048 8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.331 4.093 7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 11 22.586 4.307 9.150 1.00 0.00 H new ATOM 0 HE ARG A 11 25.402 4.772 8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 11 23.028 4.394 11.018 1.00 0.00 H new ATOM 0 HH12 ARG A 11 24.022 5.223 12.220 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.671 5.834 9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 11 26.077 6.035 11.643 1.00 0.00 H new ATOM 186 N GLU A 12 23.455 -1.100 10.273 1.00 0.00 N ATOM 187 CA GLU A 12 23.746 -1.527 11.636 1.00 0.00 C ATOM 188 C GLU A 12 24.780 -0.619 12.290 1.00 0.00 C ATOM 189 O GLU A 12 25.964 -0.669 11.957 1.00 0.00 O ATOM 190 CB GLU A 12 24.245 -2.974 11.647 1.00 0.00 C ATOM 191 CG GLU A 12 23.207 -4.000 11.216 1.00 0.00 C ATOM 192 CD GLU A 12 23.737 -5.407 11.223 1.00 0.00 C ATOM 193 OE1 GLU A 12 24.918 -5.576 11.409 1.00 0.00 O ATOM 194 OE2 GLU A 12 22.960 -6.315 11.043 1.00 0.00 O ATOM 0 H GLU A 12 23.991 -1.588 9.555 1.00 0.00 H new ATOM 0 HA GLU A 12 22.821 -1.462 12.209 1.00 0.00 H new ATOM 0 HB2 GLU A 12 25.110 -3.052 10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 12 24.586 -3.220 12.653 1.00 0.00 H new ATOM 0 HG2 GLU A 12 22.345 -3.939 11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 12 22.855 -3.755 10.214 1.00 0.00 H new ATOM 201 N GLU A 13 24.325 0.211 13.223 1.00 0.00 N ATOM 202 CA GLU A 13 25.199 1.172 13.885 1.00 0.00 C ATOM 203 C GLU A 13 25.677 0.645 15.232 1.00 0.00 C ATOM 204 O GLU A 13 24.871 0.308 16.099 1.00 0.00 O ATOM 205 CB GLU A 13 24.475 2.507 14.077 1.00 0.00 C ATOM 206 CG GLU A 13 25.313 3.585 14.749 1.00 0.00 C ATOM 207 CD GLU A 13 24.575 4.885 14.908 1.00 0.00 C ATOM 208 OE1 GLU A 13 24.148 5.429 13.918 1.00 0.00 O ATOM 209 OE2 GLU A 13 24.438 5.336 16.021 1.00 0.00 O ATOM 0 H GLU A 13 23.355 0.237 13.538 1.00 0.00 H new ATOM 0 HA GLU A 13 26.070 1.325 13.247 1.00 0.00 H new ATOM 0 HB2 GLU A 13 24.148 2.872 13.104 1.00 0.00 H new ATOM 0 HB3 GLU A 13 23.578 2.338 14.672 1.00 0.00 H new ATOM 0 HG2 GLU A 13 25.632 3.232 15.730 1.00 0.00 H new ATOM 0 HG3 GLU A 13 26.216 3.755 14.162 1.00 0.00 H new ATOM 216 N THR A 14 26.993 0.575 15.400 1.00 0.00 N ATOM 217 CA THR A 14 27.582 0.139 16.661 1.00 0.00 C ATOM 218 C THR A 14 27.814 1.318 17.597 1.00 0.00 C ATOM 219 O THR A 14 28.572 2.235 17.280 1.00 0.00 O ATOM 220 CB THR A 14 28.910 -0.603 16.425 1.00 0.00 C ATOM 221 OG1 THR A 14 28.674 -1.766 15.621 1.00 0.00 O ATOM 222 CG2 THR A 14 29.528 -1.024 17.750 1.00 0.00 C ATOM 0 H THR A 14 27.673 0.815 14.678 1.00 0.00 H new ATOM 0 HA THR A 14 26.874 -0.546 17.128 1.00 0.00 H new ATOM 0 HB THR A 14 29.598 0.069 15.912 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.520 -2.237 15.470 1.00 0.00 H new ATOM 0 HG21 THR A 14 30.466 -1.547 17.564 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.720 -0.141 18.359 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.842 -1.686 18.277 1.00 0.00 H new ATOM 230 N ILE A 15 27.156 1.289 18.752 1.00 0.00 N ATOM 231 CA ILE A 15 27.269 2.369 19.725 1.00 0.00 C ATOM 232 C ILE A 15 28.077 1.933 20.940 1.00 0.00 C ATOM 233 O ILE A 15 27.721 0.973 21.623 1.00 0.00 O ATOM 234 CB ILE A 15 25.877 2.847 20.178 1.00 0.00 C ATOM 235 CG1 ILE A 15 25.067 3.346 18.978 1.00 0.00 C ATOM 236 CG2 ILE A 15 26.005 3.939 21.229 1.00 0.00 C ATOM 237 CD1 ILE A 15 23.607 3.588 19.285 1.00 0.00 C ATOM 0 H ILE A 15 26.539 0.529 19.037 1.00 0.00 H new ATOM 0 HA ILE A 15 27.788 3.194 19.236 1.00 0.00 H new ATOM 0 HB ILE A 15 25.349 2.004 20.623 1.00 0.00 H new ATOM 0 HG12 ILE A 15 25.510 4.272 18.612 1.00 0.00 H new ATOM 0 HG13 ILE A 15 25.143 2.616 18.172 1.00 0.00 H new ATOM 0 HG21 ILE A 15 25.012 4.265 21.538 1.00 0.00 H new ATOM 0 HG22 ILE A 15 26.544 3.551 22.093 1.00 0.00 H new ATOM 0 HG23 ILE A 15 26.551 4.785 20.810 1.00 0.00 H new ATOM 0 HD11 ILE A 15 23.100 3.940 18.387 1.00 0.00 H new ATOM 0 HD12 ILE A 15 23.147 2.659 19.621 1.00 0.00 H new ATOM 0 HD13 ILE A 15 23.520 4.340 20.069 1.00 0.00 H new ATOM 249 N GLU A 16 29.167 2.646 21.205 1.00 0.00 N ATOM 250 CA GLU A 16 30.011 2.354 22.358 1.00 0.00 C ATOM 251 C GLU A 16 30.215 3.593 23.219 1.00 0.00 C ATOM 252 O GLU A 16 30.800 4.581 22.775 1.00 0.00 O ATOM 253 CB GLU A 16 31.367 1.809 21.902 1.00 0.00 C ATOM 254 CG GLU A 16 31.294 0.482 21.160 1.00 0.00 C ATOM 255 CD GLU A 16 32.649 -0.090 20.850 1.00 0.00 C ATOM 256 OE1 GLU A 16 33.621 0.437 21.335 1.00 0.00 O ATOM 257 OE2 GLU A 16 32.713 -1.055 20.125 1.00 0.00 O ATOM 0 H GLU A 16 29.487 3.430 20.637 1.00 0.00 H new ATOM 0 HA GLU A 16 29.505 1.598 22.959 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.843 2.547 21.256 1.00 0.00 H new ATOM 0 HB3 GLU A 16 32.009 1.688 22.775 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.732 -0.234 21.760 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.743 0.621 20.230 1.00 0.00 H new ATOM 264 N THR A 17 29.728 3.536 24.454 1.00 0.00 N ATOM 265 CA THR A 17 29.858 4.653 25.382 1.00 0.00 C ATOM 266 C THR A 17 30.659 4.255 26.615 1.00 0.00 C ATOM 267 O THR A 17 30.242 3.389 27.384 1.00 0.00 O ATOM 268 CB THR A 17 28.477 5.182 25.810 1.00 0.00 C ATOM 269 OG1 THR A 17 27.758 5.639 24.657 1.00 0.00 O ATOM 270 CG2 THR A 17 28.627 6.330 26.797 1.00 0.00 C ATOM 0 H THR A 17 29.239 2.726 24.836 1.00 0.00 H new ATOM 0 HA THR A 17 30.392 5.446 24.859 1.00 0.00 H new ATOM 0 HB THR A 17 27.929 4.372 26.291 1.00 0.00 H new ATOM 0 HG1 THR A 17 26.879 5.974 24.931 1.00 0.00 H new ATOM 0 HG21 THR A 17 27.641 6.691 27.088 1.00 0.00 H new ATOM 0 HG22 THR A 17 29.162 5.982 27.681 1.00 0.00 H new ATOM 0 HG23 THR A 17 29.187 7.141 26.330 1.00 0.00 H new ATOM 278 N LYS A 18 31.810 4.893 26.798 1.00 0.00 N ATOM 279 CA LYS A 18 32.687 4.583 27.921 1.00 0.00 C ATOM 280 C LYS A 18 32.067 5.020 29.242 1.00 0.00 C ATOM 281 O LYS A 18 31.386 6.043 29.310 1.00 0.00 O ATOM 282 CB LYS A 18 34.051 5.249 27.734 1.00 0.00 C ATOM 283 CG LYS A 18 34.871 4.692 26.578 1.00 0.00 C ATOM 284 CD LYS A 18 36.225 5.379 26.479 1.00 0.00 C ATOM 285 CE LYS A 18 37.042 4.829 25.319 1.00 0.00 C ATOM 286 NZ LYS A 18 38.361 5.507 25.196 1.00 0.00 N ATOM 0 H LYS A 18 32.157 5.628 26.183 1.00 0.00 H new ATOM 0 HA LYS A 18 32.822 3.502 27.950 1.00 0.00 H new ATOM 0 HB2 LYS A 18 33.901 6.317 27.576 1.00 0.00 H new ATOM 0 HB3 LYS A 18 34.624 5.141 28.655 1.00 0.00 H new ATOM 0 HG2 LYS A 18 35.014 3.620 26.714 1.00 0.00 H new ATOM 0 HG3 LYS A 18 34.324 4.825 25.644 1.00 0.00 H new ATOM 0 HD2 LYS A 18 36.082 6.452 26.349 1.00 0.00 H new ATOM 0 HD3 LYS A 18 36.774 5.241 27.411 1.00 0.00 H new ATOM 0 HE2 LYS A 18 37.196 3.759 25.459 1.00 0.00 H new ATOM 0 HE3 LYS A 18 36.483 4.952 24.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 38.886 5.103 24.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 38.215 6.524 25.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 38.906 5.368 26.071 1.00 0.00 H new ATOM 300 N ILE A 19 32.306 4.239 30.289 1.00 0.00 N ATOM 301 CA ILE A 19 31.712 4.503 31.594 1.00 0.00 C ATOM 302 C ILE A 19 32.782 4.801 32.636 1.00 0.00 C ATOM 303 O ILE A 19 33.730 4.034 32.804 1.00 0.00 O ATOM 304 CB ILE A 19 30.858 3.310 32.061 1.00 0.00 C ATOM 305 CG1 ILE A 19 29.756 3.010 31.041 1.00 0.00 C ATOM 306 CG2 ILE A 19 30.259 3.588 33.430 1.00 0.00 C ATOM 307 CD1 ILE A 19 29.029 1.709 31.292 1.00 0.00 C ATOM 0 H ILE A 19 32.908 3.416 30.259 1.00 0.00 H new ATOM 0 HA ILE A 19 31.072 5.379 31.488 1.00 0.00 H new ATOM 0 HB ILE A 19 31.501 2.434 32.140 1.00 0.00 H new ATOM 0 HG12 ILE A 19 29.034 3.826 31.050 1.00 0.00 H new ATOM 0 HG13 ILE A 19 30.195 2.983 30.044 1.00 0.00 H new ATOM 0 HG21 ILE A 19 29.659 2.734 33.745 1.00 0.00 H new ATOM 0 HG22 ILE A 19 31.060 3.754 34.151 1.00 0.00 H new ATOM 0 HG23 ILE A 19 29.629 4.476 33.378 1.00 0.00 H new ATOM 0 HD11 ILE A 19 28.264 1.567 30.529 1.00 0.00 H new ATOM 0 HD12 ILE A 19 29.738 0.882 31.253 1.00 0.00 H new ATOM 0 HD13 ILE A 19 28.559 1.738 32.275 1.00 0.00 H new ATOM 319 N ASP A 20 32.624 5.920 33.335 1.00 0.00 N ATOM 320 CA ASP A 20 33.606 6.352 34.322 1.00 0.00 C ATOM 321 C ASP A 20 33.346 5.708 35.678 1.00 0.00 C ATOM 322 O ASP A 20 32.445 4.881 35.820 1.00 0.00 O ATOM 323 CB ASP A 20 33.591 7.876 34.463 1.00 0.00 C ATOM 324 CG ASP A 20 32.294 8.402 35.064 1.00 0.00 C ATOM 325 OD1 ASP A 20 31.560 7.620 35.620 1.00 0.00 O ATOM 326 OD2 ASP A 20 32.050 9.581 34.961 1.00 0.00 O ATOM 0 H ASP A 20 31.824 6.545 33.236 1.00 0.00 H new ATOM 0 HA ASP A 20 34.588 6.034 33.971 1.00 0.00 H new ATOM 0 HB2 ASP A 20 34.428 8.186 35.089 1.00 0.00 H new ATOM 0 HB3 ASP A 20 33.741 8.328 33.483 1.00 0.00 H new ATOM 331 N PHE A 21 34.139 6.092 36.672 1.00 0.00 N ATOM 332 CA PHE A 21 34.031 5.513 38.006 1.00 0.00 C ATOM 333 C PHE A 21 34.474 6.505 39.074 1.00 0.00 C ATOM 334 O PHE A 21 35.180 7.471 38.783 1.00 0.00 O ATOM 335 CB PHE A 21 34.871 4.239 38.105 1.00 0.00 C ATOM 336 CG PHE A 21 36.345 4.469 37.926 1.00 0.00 C ATOM 337 CD1 PHE A 21 37.149 4.781 39.011 1.00 0.00 C ATOM 338 CD2 PHE A 21 36.929 4.374 36.672 1.00 0.00 C ATOM 339 CE1 PHE A 21 38.505 4.993 38.848 1.00 0.00 C ATOM 340 CE2 PHE A 21 38.284 4.584 36.505 1.00 0.00 C ATOM 341 CZ PHE A 21 39.073 4.894 37.595 1.00 0.00 C ATOM 0 H PHE A 21 34.865 6.803 36.579 1.00 0.00 H new ATOM 0 HA PHE A 21 32.983 5.266 38.177 1.00 0.00 H new ATOM 0 HB2 PHE A 21 34.700 3.777 39.077 1.00 0.00 H new ATOM 0 HB3 PHE A 21 34.529 3.530 37.351 1.00 0.00 H new ATOM 0 HD1 PHE A 21 36.711 4.859 39.995 1.00 0.00 H new ATOM 0 HD2 PHE A 21 36.317 4.133 35.815 1.00 0.00 H new ATOM 0 HE1 PHE A 21 39.120 5.236 39.702 1.00 0.00 H new ATOM 0 HE2 PHE A 21 38.726 4.506 35.523 1.00 0.00 H new ATOM 0 HZ PHE A 21 40.133 5.059 37.467 1.00 0.00 H new ATOM 351 N GLN A 22 34.057 6.260 40.311 1.00 0.00 N ATOM 352 CA GLN A 22 34.402 7.136 41.424 1.00 0.00 C ATOM 353 C GLN A 22 35.572 6.577 42.223 1.00 0.00 C ATOM 354 O GLN A 22 35.886 5.390 42.134 1.00 0.00 O ATOM 355 CB GLN A 22 33.193 7.340 42.341 1.00 0.00 C ATOM 356 CG GLN A 22 31.992 7.970 41.656 1.00 0.00 C ATOM 357 CD GLN A 22 32.276 9.378 41.169 1.00 0.00 C ATOM 358 OE1 GLN A 22 32.699 10.243 41.940 1.00 0.00 O ATOM 359 NE2 GLN A 22 32.045 9.616 39.883 1.00 0.00 N ATOM 0 H GLN A 22 33.478 5.460 40.568 1.00 0.00 H new ATOM 0 HA GLN A 22 34.700 8.099 41.009 1.00 0.00 H new ATOM 0 HB2 GLN A 22 32.897 6.376 42.754 1.00 0.00 H new ATOM 0 HB3 GLN A 22 33.490 7.969 43.181 1.00 0.00 H new ATOM 0 HG2 GLN A 22 31.693 7.350 40.811 1.00 0.00 H new ATOM 0 HG3 GLN A 22 31.151 7.991 42.350 1.00 0.00 H new ATOM 0 HE21 GLN A 22 31.695 8.871 39.281 1.00 0.00 H new ATOM 0 HE22 GLN A 22 32.218 10.544 39.497 1.00 0.00 H new ATOM 368 N GLU A 23 36.215 7.439 43.004 1.00 0.00 N ATOM 369 CA GLU A 23 37.331 7.026 43.846 1.00 0.00 C ATOM 370 C GLU A 23 37.030 7.270 45.319 1.00 0.00 C ATOM 371 O GLU A 23 36.478 8.307 45.686 1.00 0.00 O ATOM 372 CB GLU A 23 38.606 7.772 43.445 1.00 0.00 C ATOM 373 CG GLU A 23 39.829 7.420 44.280 1.00 0.00 C ATOM 374 CD GLU A 23 41.075 8.122 43.817 1.00 0.00 C ATOM 375 OE1 GLU A 23 41.034 8.746 42.784 1.00 0.00 O ATOM 376 OE2 GLU A 23 42.070 8.034 44.497 1.00 0.00 O ATOM 0 H GLU A 23 35.981 8.430 43.071 1.00 0.00 H new ATOM 0 HA GLU A 23 37.481 5.956 43.699 1.00 0.00 H new ATOM 0 HB2 GLU A 23 38.823 7.560 42.398 1.00 0.00 H new ATOM 0 HB3 GLU A 23 38.425 8.844 43.522 1.00 0.00 H new ATOM 0 HG2 GLU A 23 39.638 7.678 45.322 1.00 0.00 H new ATOM 0 HG3 GLU A 23 39.990 6.343 44.243 1.00 0.00 H new ATOM 383 N GLU A 24 37.396 6.308 46.159 1.00 0.00 N ATOM 384 CA GLU A 24 37.187 6.427 47.597 1.00 0.00 C ATOM 385 C GLU A 24 38.444 6.046 48.370 1.00 0.00 C ATOM 386 O GLU A 24 38.988 4.956 48.189 1.00 0.00 O ATOM 387 CB GLU A 24 36.017 5.547 48.041 1.00 0.00 C ATOM 388 CG GLU A 24 35.714 5.607 49.532 1.00 0.00 C ATOM 389 CD GLU A 24 34.526 4.773 49.922 1.00 0.00 C ATOM 390 OE1 GLU A 24 33.856 4.281 49.046 1.00 0.00 O ATOM 391 OE2 GLU A 24 34.288 4.628 51.098 1.00 0.00 O ATOM 0 H GLU A 24 37.839 5.437 45.868 1.00 0.00 H new ATOM 0 HA GLU A 24 36.953 7.469 47.814 1.00 0.00 H new ATOM 0 HB2 GLU A 24 35.125 5.844 47.489 1.00 0.00 H new ATOM 0 HB3 GLU A 24 36.231 4.514 47.768 1.00 0.00 H new ATOM 0 HG2 GLU A 24 36.588 5.268 50.089 1.00 0.00 H new ATOM 0 HG3 GLU A 24 35.534 6.643 49.820 1.00 0.00 H new ATOM 398 N ILE A 25 38.900 6.949 49.231 1.00 0.00 N ATOM 399 CA ILE A 25 40.053 6.682 50.082 1.00 0.00 C ATOM 400 C ILE A 25 39.627 6.431 51.523 1.00 0.00 C ATOM 401 O ILE A 25 38.941 7.253 52.130 1.00 0.00 O ATOM 402 CB ILE A 25 41.051 7.853 50.038 1.00 0.00 C ATOM 403 CG1 ILE A 25 41.555 8.071 48.609 1.00 0.00 C ATOM 404 CG2 ILE A 25 42.215 7.596 50.983 1.00 0.00 C ATOM 405 CD1 ILE A 25 42.352 9.343 48.430 1.00 0.00 C ATOM 0 H ILE A 25 38.488 7.873 49.358 1.00 0.00 H new ATOM 0 HA ILE A 25 40.539 5.785 49.698 1.00 0.00 H new ATOM 0 HB ILE A 25 40.538 8.758 50.364 1.00 0.00 H new ATOM 0 HG12 ILE A 25 42.174 7.222 48.318 1.00 0.00 H new ATOM 0 HG13 ILE A 25 40.701 8.090 47.932 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.911 8.434 50.939 1.00 0.00 H new ATOM 0 HG22 ILE A 25 41.840 7.488 52.001 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.729 6.682 50.687 1.00 0.00 H new ATOM 0 HD11 ILE A 25 42.674 9.427 47.392 1.00 0.00 H new ATOM 0 HD12 ILE A 25 41.731 10.201 48.688 1.00 0.00 H new ATOM 0 HD13 ILE A 25 43.226 9.319 49.081 1.00 0.00 H new ATOM 417 N GLN A 26 40.038 5.290 52.066 1.00 0.00 N ATOM 418 CA GLN A 26 39.595 4.868 53.389 1.00 0.00 C ATOM 419 C GLN A 26 40.770 4.753 54.352 1.00 0.00 C ATOM 420 O GLN A 26 41.887 4.432 53.948 1.00 0.00 O ATOM 421 CB GLN A 26 38.855 3.530 53.306 1.00 0.00 C ATOM 422 CG GLN A 26 37.589 3.570 52.468 1.00 0.00 C ATOM 423 CD GLN A 26 36.879 2.230 52.426 1.00 0.00 C ATOM 424 OE1 GLN A 26 37.490 1.181 52.650 1.00 0.00 O ATOM 425 NE2 GLN A 26 35.583 2.257 52.138 1.00 0.00 N ATOM 0 H GLN A 26 40.678 4.640 51.609 1.00 0.00 H new ATOM 0 HA GLN A 26 38.913 5.628 53.769 1.00 0.00 H new ATOM 0 HB2 GLN A 26 39.529 2.780 52.891 1.00 0.00 H new ATOM 0 HB3 GLN A 26 38.600 3.206 54.315 1.00 0.00 H new ATOM 0 HG2 GLN A 26 36.913 4.323 52.872 1.00 0.00 H new ATOM 0 HG3 GLN A 26 37.839 3.878 51.453 1.00 0.00 H new ATOM 0 HE21 GLN A 26 35.119 3.148 51.960 1.00 0.00 H new ATOM 0 HE22 GLN A 26 35.052 1.387 52.095 1.00 0.00 H new ATOM 434 N GLU A 27 40.510 5.016 55.629 1.00 0.00 N ATOM 435 CA GLU A 27 41.538 4.911 56.657 1.00 0.00 C ATOM 436 C GLU A 27 41.730 3.465 57.098 1.00 0.00 C ATOM 437 O GLU A 27 40.763 2.764 57.398 1.00 0.00 O ATOM 438 CB GLU A 27 41.175 5.778 57.865 1.00 0.00 C ATOM 439 CG GLU A 27 42.238 5.817 58.953 1.00 0.00 C ATOM 440 CD GLU A 27 41.818 6.619 60.153 1.00 0.00 C ATOM 441 OE1 GLU A 27 40.659 6.586 60.490 1.00 0.00 O ATOM 442 OE2 GLU A 27 42.658 7.266 60.734 1.00 0.00 O ATOM 0 H GLU A 27 39.595 5.304 55.976 1.00 0.00 H new ATOM 0 HA GLU A 27 42.475 5.267 56.229 1.00 0.00 H new ATOM 0 HB2 GLU A 27 40.985 6.795 57.523 1.00 0.00 H new ATOM 0 HB3 GLU A 27 40.245 5.408 58.296 1.00 0.00 H new ATOM 0 HG2 GLU A 27 42.468 4.798 59.266 1.00 0.00 H new ATOM 0 HG3 GLU A 27 43.155 6.240 58.543 1.00 0.00 H new ATOM 449 N ASN A 28 42.983 3.025 57.135 1.00 0.00 N ATOM 450 CA ASN A 28 43.306 1.672 57.572 1.00 0.00 C ATOM 451 C ASN A 28 44.321 1.688 58.708 1.00 0.00 C ATOM 452 O ASN A 28 45.511 1.914 58.487 1.00 0.00 O ATOM 453 CB ASN A 28 43.820 0.844 56.408 1.00 0.00 C ATOM 454 CG ASN A 28 43.997 -0.606 56.765 1.00 0.00 C ATOM 455 OD1 ASN A 28 43.853 -0.994 57.930 1.00 0.00 O ATOM 456 ND2 ASN A 28 44.308 -1.415 55.784 1.00 0.00 N ATOM 0 H ASN A 28 43.792 3.586 56.868 1.00 0.00 H new ATOM 0 HA ASN A 28 42.391 1.213 57.947 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.125 0.927 55.573 1.00 0.00 H new ATOM 0 HB3 ASN A 28 44.773 1.251 56.070 1.00 0.00 H new ATOM 0 HD21 ASN A 28 44.442 -2.410 55.966 1.00 0.00 H new ATOM 0 HD22 ASN A 28 44.417 -1.051 54.838 1.00 0.00 H new ATOM 463 N PRO A 29 43.844 1.446 59.924 1.00 0.00 N ATOM 464 CA PRO A 29 44.704 1.461 61.101 1.00 0.00 C ATOM 465 C PRO A 29 45.861 0.482 60.951 1.00 0.00 C ATOM 466 O PRO A 29 46.933 0.680 61.522 1.00 0.00 O ATOM 467 CB PRO A 29 43.754 1.044 62.228 1.00 0.00 C ATOM 468 CG PRO A 29 42.413 1.501 61.763 1.00 0.00 C ATOM 469 CD PRO A 29 42.424 1.246 60.280 1.00 0.00 C ATOM 0 HA PRO A 29 45.175 2.428 61.279 1.00 0.00 H new ATOM 0 HB2 PRO A 29 43.774 -0.034 62.388 1.00 0.00 H new ATOM 0 HB3 PRO A 29 44.028 1.511 63.174 1.00 0.00 H new ATOM 0 HG2 PRO A 29 41.612 0.949 62.255 1.00 0.00 H new ATOM 0 HG3 PRO A 29 42.254 2.557 61.983 1.00 0.00 H new ATOM 0 HD2 PRO A 29 42.085 0.238 60.040 1.00 0.00 H new ATOM 0 HD3 PRO A 29 41.772 1.937 59.746 1.00 0.00 H new ATOM 477 N ASP A 30 45.637 -0.576 60.179 1.00 0.00 N ATOM 478 CA ASP A 30 46.623 -1.640 60.033 1.00 0.00 C ATOM 479 C ASP A 30 47.855 -1.151 59.283 1.00 0.00 C ATOM 480 O ASP A 30 48.929 -1.744 59.380 1.00 0.00 O ATOM 481 CB ASP A 30 46.015 -2.839 59.301 1.00 0.00 C ATOM 482 CG ASP A 30 44.977 -3.579 60.135 1.00 0.00 C ATOM 483 OD1 ASP A 30 44.937 -3.364 61.324 1.00 0.00 O ATOM 484 OD2 ASP A 30 44.236 -4.350 59.576 1.00 0.00 O ATOM 0 H ASP A 30 44.780 -0.719 59.644 1.00 0.00 H new ATOM 0 HA ASP A 30 46.927 -1.948 61.034 1.00 0.00 H new ATOM 0 HB2 ASP A 30 45.553 -2.497 58.375 1.00 0.00 H new ATOM 0 HB3 ASP A 30 46.811 -3.530 59.023 1.00 0.00 H new ATOM 489 N LEU A 31 47.693 -0.066 58.534 1.00 0.00 N ATOM 490 CA LEU A 31 48.794 0.508 57.768 1.00 0.00 C ATOM 491 C LEU A 31 49.425 1.681 58.507 1.00 0.00 C ATOM 492 O LEU A 31 48.730 2.472 59.145 1.00 0.00 O ATOM 493 CB LEU A 31 48.298 0.969 56.392 1.00 0.00 C ATOM 494 CG LEU A 31 47.715 -0.129 55.493 1.00 0.00 C ATOM 495 CD1 LEU A 31 47.224 0.489 54.190 1.00 0.00 C ATOM 496 CD2 LEU A 31 48.775 -1.188 55.231 1.00 0.00 C ATOM 0 H LEU A 31 46.809 0.434 58.441 1.00 0.00 H new ATOM 0 HA LEU A 31 49.552 -0.265 57.639 1.00 0.00 H new ATOM 0 HB2 LEU A 31 47.537 1.735 56.539 1.00 0.00 H new ATOM 0 HB3 LEU A 31 49.128 1.441 55.866 1.00 0.00 H new ATOM 0 HG LEU A 31 46.869 -0.606 55.988 1.00 0.00 H new ATOM 0 HD11 LEU A 31 46.810 -0.291 53.551 1.00 0.00 H new ATOM 0 HD12 LEU A 31 46.453 1.229 54.406 1.00 0.00 H new ATOM 0 HD13 LEU A 31 48.057 0.972 53.680 1.00 0.00 H new ATOM 0 HD21 LEU A 31 48.360 -1.968 54.592 1.00 0.00 H new ATOM 0 HD22 LEU A 31 49.632 -0.731 54.736 1.00 0.00 H new ATOM 0 HD23 LEU A 31 49.094 -1.625 56.177 1.00 0.00 H new ATOM 508 N ALA A 32 50.746 1.789 58.416 1.00 0.00 N ATOM 509 CA ALA A 32 51.475 2.860 59.084 1.00 0.00 C ATOM 510 C ALA A 32 51.219 4.203 58.413 1.00 0.00 C ATOM 511 O ALA A 32 51.012 4.273 57.201 1.00 0.00 O ATOM 512 CB ALA A 32 52.966 2.555 59.104 1.00 0.00 C ATOM 0 H ALA A 32 51.334 1.147 57.885 1.00 0.00 H new ATOM 0 HA ALA A 32 51.114 2.922 60.111 1.00 0.00 H new ATOM 0 HB1 ALA A 32 53.496 3.364 59.606 1.00 0.00 H new ATOM 0 HB2 ALA A 32 53.139 1.621 59.639 1.00 0.00 H new ATOM 0 HB3 ALA A 32 53.332 2.461 58.082 1.00 0.00 H new ATOM 518 N GLU A 33 51.234 5.269 59.206 1.00 0.00 N ATOM 519 CA GLU A 33 50.933 6.603 58.703 1.00 0.00 C ATOM 520 C GLU A 33 51.759 6.925 57.464 1.00 0.00 C ATOM 521 O GLU A 33 52.988 6.864 57.494 1.00 0.00 O ATOM 522 CB GLU A 33 51.190 7.653 59.786 1.00 0.00 C ATOM 523 CG GLU A 33 50.801 9.071 59.394 1.00 0.00 C ATOM 524 CD GLU A 33 51.060 10.072 60.484 1.00 0.00 C ATOM 525 OE1 GLU A 33 51.578 9.689 61.506 1.00 0.00 O ATOM 526 OE2 GLU A 33 50.741 11.223 60.295 1.00 0.00 O ATOM 0 H GLU A 33 51.452 5.234 60.202 1.00 0.00 H new ATOM 0 HA GLU A 33 49.879 6.624 58.427 1.00 0.00 H new ATOM 0 HB2 GLU A 33 50.639 7.373 60.684 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.249 7.638 60.045 1.00 0.00 H new ATOM 0 HG2 GLU A 33 51.356 9.361 58.502 1.00 0.00 H new ATOM 0 HG3 GLU A 33 49.743 9.093 59.132 1.00 0.00 H new ATOM 533 N GLY A 34 51.077 7.267 56.377 1.00 0.00 N ATOM 534 CA GLY A 34 51.748 7.632 55.135 1.00 0.00 C ATOM 535 C GLY A 34 51.684 6.498 54.120 1.00 0.00 C ATOM 536 O GLY A 34 51.897 6.708 52.926 1.00 0.00 O ATOM 0 H GLY A 34 50.059 7.299 56.331 1.00 0.00 H new ATOM 0 HA2 GLY A 34 51.283 8.525 54.716 1.00 0.00 H new ATOM 0 HA3 GLY A 34 52.789 7.881 55.341 1.00 0.00 H new ATOM 540 N THR A 35 51.389 5.295 54.602 1.00 0.00 N ATOM 541 CA THR A 35 51.334 4.118 53.743 1.00 0.00 C ATOM 542 C THR A 35 50.130 4.172 52.811 1.00 0.00 C ATOM 543 O THR A 35 49.012 4.452 53.241 1.00 0.00 O ATOM 544 CB THR A 35 51.284 2.825 54.578 1.00 0.00 C ATOM 545 OG1 THR A 35 52.463 2.730 55.387 1.00 0.00 O ATOM 546 CG2 THR A 35 51.197 1.607 53.670 1.00 0.00 C ATOM 0 H THR A 35 51.184 5.110 55.584 1.00 0.00 H new ATOM 0 HA THR A 35 52.243 4.115 53.141 1.00 0.00 H new ATOM 0 HB THR A 35 50.400 2.855 55.214 1.00 0.00 H new ATOM 0 HG1 THR A 35 52.336 3.244 56.212 1.00 0.00 H new ATOM 0 HG21 THR A 35 51.163 0.702 54.277 1.00 0.00 H new ATOM 0 HG22 THR A 35 50.295 1.670 53.062 1.00 0.00 H new ATOM 0 HG23 THR A 35 52.071 1.575 53.020 1.00 0.00 H new ATOM 554 N VAL A 36 50.367 3.902 51.531 1.00 0.00 N ATOM 555 CA VAL A 36 49.292 3.853 50.548 1.00 0.00 C ATOM 556 C VAL A 36 49.191 2.472 49.911 1.00 0.00 C ATOM 557 O VAL A 36 50.168 1.955 49.369 1.00 0.00 O ATOM 558 CB VAL A 36 49.525 4.906 49.448 1.00 0.00 C ATOM 559 CG1 VAL A 36 48.435 4.822 48.390 1.00 0.00 C ATOM 560 CG2 VAL A 36 49.572 6.296 50.065 1.00 0.00 C ATOM 0 H VAL A 36 51.295 3.714 51.151 1.00 0.00 H new ATOM 0 HA VAL A 36 48.358 4.067 51.068 1.00 0.00 H new ATOM 0 HB VAL A 36 50.481 4.706 48.964 1.00 0.00 H new ATOM 0 HG11 VAL A 36 48.616 5.573 47.621 1.00 0.00 H new ATOM 0 HG12 VAL A 36 48.443 3.830 47.938 1.00 0.00 H new ATOM 0 HG13 VAL A 36 47.465 5.002 48.852 1.00 0.00 H new ATOM 0 HG21 VAL A 36 49.737 7.036 49.282 1.00 0.00 H new ATOM 0 HG22 VAL A 36 48.627 6.503 50.567 1.00 0.00 H new ATOM 0 HG23 VAL A 36 50.386 6.346 50.789 1.00 0.00 H new ATOM 570 N ARG A 37 48.004 1.880 49.980 1.00 0.00 N ATOM 571 CA ARG A 37 47.768 0.566 49.394 1.00 0.00 C ATOM 572 C ARG A 37 46.412 0.507 48.702 1.00 0.00 C ATOM 573 O ARG A 37 45.372 0.687 49.336 1.00 0.00 O ATOM 574 CB ARG A 37 47.837 -0.516 50.461 1.00 0.00 C ATOM 575 CG ARG A 37 47.707 -1.938 49.940 1.00 0.00 C ATOM 576 CD ARG A 37 47.952 -2.940 51.009 1.00 0.00 C ATOM 577 NE ARG A 37 46.870 -2.973 51.980 1.00 0.00 N ATOM 578 CZ ARG A 37 46.795 -3.834 53.013 1.00 0.00 C ATOM 579 NH1 ARG A 37 47.744 -4.726 53.195 1.00 0.00 N ATOM 580 NH2 ARG A 37 45.768 -3.783 53.842 1.00 0.00 N ATOM 0 H ARG A 37 47.189 2.290 50.437 1.00 0.00 H new ATOM 0 HA ARG A 37 48.548 0.393 48.652 1.00 0.00 H new ATOM 0 HB2 ARG A 37 48.785 -0.424 50.990 1.00 0.00 H new ATOM 0 HB3 ARG A 37 47.046 -0.338 51.190 1.00 0.00 H new ATOM 0 HG2 ARG A 37 46.709 -2.084 49.526 1.00 0.00 H new ATOM 0 HG3 ARG A 37 48.415 -2.094 49.126 1.00 0.00 H new ATOM 0 HD2 ARG A 37 48.068 -3.927 50.562 1.00 0.00 H new ATOM 0 HD3 ARG A 37 48.888 -2.708 51.517 1.00 0.00 H new ATOM 0 HE ARG A 37 46.115 -2.296 51.871 1.00 0.00 H new ATOM 0 HH11 ARG A 37 48.536 -4.766 52.554 1.00 0.00 H new ATOM 0 HH12 ARG A 37 47.688 -5.378 53.977 1.00 0.00 H new ATOM 0 HH21 ARG A 37 45.032 -3.092 53.700 1.00 0.00 H new ATOM 0 HH22 ARG A 37 45.711 -4.435 54.624 1.00 0.00 H new ATOM 594 N VAL A 38 46.430 0.253 47.398 1.00 0.00 N ATOM 595 CA VAL A 38 45.205 0.207 46.609 1.00 0.00 C ATOM 596 C VAL A 38 44.421 -1.070 46.883 1.00 0.00 C ATOM 597 O VAL A 38 44.945 -2.175 46.738 1.00 0.00 O ATOM 598 CB VAL A 38 45.532 0.293 45.107 1.00 0.00 C ATOM 599 CG1 VAL A 38 44.264 0.160 44.277 1.00 0.00 C ATOM 600 CG2 VAL A 38 46.238 1.606 44.805 1.00 0.00 C ATOM 0 H VAL A 38 47.281 0.076 46.865 1.00 0.00 H new ATOM 0 HA VAL A 38 44.593 1.061 46.899 1.00 0.00 H new ATOM 0 HB VAL A 38 46.197 -0.529 44.843 1.00 0.00 H new ATOM 0 HG11 VAL A 38 44.514 0.223 43.218 1.00 0.00 H new ATOM 0 HG12 VAL A 38 43.794 -0.802 44.482 1.00 0.00 H new ATOM 0 HG13 VAL A 38 43.574 0.963 44.535 1.00 0.00 H new ATOM 0 HG21 VAL A 38 46.466 1.660 43.741 1.00 0.00 H new ATOM 0 HG22 VAL A 38 45.591 2.439 45.080 1.00 0.00 H new ATOM 0 HG23 VAL A 38 47.164 1.662 45.378 1.00 0.00 H new ATOM 610 N LYS A 39 43.162 -0.913 47.278 1.00 0.00 N ATOM 611 CA LYS A 39 42.302 -2.054 47.566 1.00 0.00 C ATOM 612 C LYS A 39 41.594 -2.541 46.309 1.00 0.00 C ATOM 613 O LYS A 39 41.600 -3.734 46.004 1.00 0.00 O ATOM 614 CB LYS A 39 41.275 -1.693 48.641 1.00 0.00 C ATOM 615 CG LYS A 39 40.341 -2.832 49.027 1.00 0.00 C ATOM 616 CD LYS A 39 39.436 -2.437 50.185 1.00 0.00 C ATOM 617 CE LYS A 39 38.500 -3.573 50.570 1.00 0.00 C ATOM 618 NZ LYS A 39 37.618 -3.205 51.710 1.00 0.00 N ATOM 0 H LYS A 39 42.715 -0.005 47.406 1.00 0.00 H new ATOM 0 HA LYS A 39 42.933 -2.862 47.936 1.00 0.00 H new ATOM 0 HB2 LYS A 39 41.804 -1.355 49.532 1.00 0.00 H new ATOM 0 HB3 LYS A 39 40.677 -0.853 48.287 1.00 0.00 H new ATOM 0 HG2 LYS A 39 39.733 -3.114 48.167 1.00 0.00 H new ATOM 0 HG3 LYS A 39 40.927 -3.708 49.304 1.00 0.00 H new ATOM 0 HD2 LYS A 39 40.044 -2.157 51.045 1.00 0.00 H new ATOM 0 HD3 LYS A 39 38.851 -1.559 49.909 1.00 0.00 H new ATOM 0 HE2 LYS A 39 37.887 -3.845 49.711 1.00 0.00 H new ATOM 0 HE3 LYS A 39 39.087 -4.453 50.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 36.996 -4.006 51.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 38.201 -2.970 52.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 37.039 -2.381 51.449 1.00 0.00 H new ATOM 632 N GLN A 40 40.984 -1.612 45.581 1.00 0.00 N ATOM 633 CA GLN A 40 40.300 -1.940 44.336 1.00 0.00 C ATOM 634 C GLN A 40 40.818 -1.091 43.182 1.00 0.00 C ATOM 635 O GLN A 40 40.814 0.138 43.253 1.00 0.00 O ATOM 636 CB GLN A 40 38.789 -1.748 44.488 1.00 0.00 C ATOM 637 CG GLN A 40 37.987 -2.112 43.251 1.00 0.00 C ATOM 638 CD GLN A 40 36.491 -2.079 43.499 1.00 0.00 C ATOM 639 OE1 GLN A 40 36.035 -2.171 44.643 1.00 0.00 O ATOM 640 NE2 GLN A 40 35.717 -1.947 42.428 1.00 0.00 N ATOM 0 H GLN A 40 40.949 -0.624 45.832 1.00 0.00 H new ATOM 0 HA GLN A 40 40.505 -2.986 44.110 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.440 -2.353 45.325 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.590 -0.707 44.743 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.234 -1.421 42.445 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.275 -3.108 42.915 1.00 0.00 H new ATOM 0 HE21 GLN A 40 36.137 -1.874 41.501 1.00 0.00 H new ATOM 0 HE22 GLN A 40 34.703 -1.918 42.532 1.00 0.00 H new ATOM 649 N GLU A 41 41.264 -1.754 42.120 1.00 0.00 N ATOM 650 CA GLU A 41 41.825 -1.062 40.966 1.00 0.00 C ATOM 651 C GLU A 41 40.746 -0.315 40.193 1.00 0.00 C ATOM 652 O GLU A 41 39.690 -0.870 39.889 1.00 0.00 O ATOM 653 CB GLU A 41 42.533 -2.056 40.042 1.00 0.00 C ATOM 654 CG GLU A 41 43.257 -1.415 38.866 1.00 0.00 C ATOM 655 CD GLU A 41 43.989 -2.414 38.015 1.00 0.00 C ATOM 656 OE1 GLU A 41 43.858 -3.588 38.264 1.00 0.00 O ATOM 657 OE2 GLU A 41 44.682 -2.002 37.114 1.00 0.00 O ATOM 0 H GLU A 41 41.248 -2.770 42.035 1.00 0.00 H new ATOM 0 HA GLU A 41 42.549 -0.335 41.333 1.00 0.00 H new ATOM 0 HB2 GLU A 41 43.252 -2.629 40.627 1.00 0.00 H new ATOM 0 HB3 GLU A 41 41.798 -2.764 39.659 1.00 0.00 H new ATOM 0 HG2 GLU A 41 42.535 -0.880 38.249 1.00 0.00 H new ATOM 0 HG3 GLU A 41 43.965 -0.676 39.241 1.00 0.00 H new ATOM 664 N GLY A 42 41.018 0.947 39.878 1.00 0.00 N ATOM 665 CA GLY A 42 40.101 1.752 39.079 1.00 0.00 C ATOM 666 C GLY A 42 40.122 1.323 37.618 1.00 0.00 C ATOM 667 O GLY A 42 41.176 1.307 36.981 1.00 0.00 O ATOM 0 H GLY A 42 41.867 1.435 40.164 1.00 0.00 H new ATOM 0 HA2 GLY A 42 39.090 1.656 39.474 1.00 0.00 H new ATOM 0 HA3 GLY A 42 40.375 2.804 39.156 1.00 0.00 H new ATOM 671 N LYS A 43 38.953 0.976 37.091 1.00 0.00 N ATOM 672 CA LYS A 43 38.831 0.571 35.696 1.00 0.00 C ATOM 673 C LYS A 43 37.611 1.208 35.042 1.00 0.00 C ATOM 674 O LYS A 43 36.582 1.407 35.687 1.00 0.00 O ATOM 675 CB LYS A 43 38.752 -0.952 35.585 1.00 0.00 C ATOM 676 CG LYS A 43 39.980 -1.686 36.107 1.00 0.00 C ATOM 677 CD LYS A 43 39.852 -3.189 35.911 1.00 0.00 C ATOM 678 CE LYS A 43 41.071 -3.924 36.447 1.00 0.00 C ATOM 679 NZ LYS A 43 40.960 -5.396 36.259 1.00 0.00 N ATOM 0 H LYS A 43 38.075 0.967 37.610 1.00 0.00 H new ATOM 0 HA LYS A 43 39.720 0.918 35.170 1.00 0.00 H new ATOM 0 HB2 LYS A 43 37.876 -1.299 36.133 1.00 0.00 H new ATOM 0 HB3 LYS A 43 38.601 -1.220 34.539 1.00 0.00 H new ATOM 0 HG2 LYS A 43 40.869 -1.324 35.590 1.00 0.00 H new ATOM 0 HG3 LYS A 43 40.115 -1.466 37.166 1.00 0.00 H new ATOM 0 HD2 LYS A 43 38.956 -3.549 36.418 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.729 -3.410 34.851 1.00 0.00 H new ATOM 0 HE2 LYS A 43 41.965 -3.560 35.941 1.00 0.00 H new ATOM 0 HE3 LYS A 43 41.192 -3.702 37.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 41.811 -5.859 36.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 40.121 -5.748 36.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 40.871 -5.611 35.245 1.00 0.00 H new ATOM 693 N LEU A 44 37.733 1.526 33.758 1.00 0.00 N ATOM 694 CA LEU A 44 36.625 2.098 33.002 1.00 0.00 C ATOM 695 C LEU A 44 35.724 1.009 32.436 1.00 0.00 C ATOM 696 O LEU A 44 36.184 -0.087 32.116 1.00 0.00 O ATOM 697 CB LEU A 44 37.159 2.973 31.861 1.00 0.00 C ATOM 698 CG LEU A 44 37.971 4.202 32.289 1.00 0.00 C ATOM 699 CD1 LEU A 44 38.583 4.860 31.060 1.00 0.00 C ATOM 700 CD2 LEU A 44 37.068 5.173 33.036 1.00 0.00 C ATOM 0 H LEU A 44 38.589 1.397 33.218 1.00 0.00 H new ATOM 0 HA LEU A 44 36.036 2.711 33.684 1.00 0.00 H new ATOM 0 HB2 LEU A 44 37.783 2.355 31.215 1.00 0.00 H new ATOM 0 HB3 LEU A 44 36.314 3.310 31.260 1.00 0.00 H new ATOM 0 HG LEU A 44 38.779 3.901 32.956 1.00 0.00 H new ATOM 0 HD11 LEU A 44 39.160 5.733 31.364 1.00 0.00 H new ATOM 0 HD12 LEU A 44 39.238 4.150 30.555 1.00 0.00 H new ATOM 0 HD13 LEU A 44 37.790 5.168 30.379 1.00 0.00 H new ATOM 0 HD21 LEU A 44 37.645 6.046 33.340 1.00 0.00 H new ATOM 0 HD22 LEU A 44 36.252 5.486 32.384 1.00 0.00 H new ATOM 0 HD23 LEU A 44 36.659 4.683 33.919 1.00 0.00 H new ATOM 712 N GLY A 45 34.437 1.317 32.314 1.00 0.00 N ATOM 713 CA GLY A 45 33.492 0.416 31.665 1.00 0.00 C ATOM 714 C GLY A 45 33.160 0.889 30.255 1.00 0.00 C ATOM 715 O GLY A 45 33.812 1.787 29.722 1.00 0.00 O ATOM 0 H GLY A 45 34.024 2.185 32.657 1.00 0.00 H new ATOM 0 HA2 GLY A 45 33.912 -0.589 31.625 1.00 0.00 H new ATOM 0 HA3 GLY A 45 32.578 0.356 32.256 1.00 0.00 H new ATOM 719 N LYS A 46 32.143 0.279 29.656 1.00 0.00 N ATOM 720 CA LYS A 46 31.705 0.656 28.317 1.00 0.00 C ATOM 721 C LYS A 46 30.397 -0.034 27.951 1.00 0.00 C ATOM 722 O LYS A 46 30.312 -1.262 27.947 1.00 0.00 O ATOM 723 CB LYS A 46 32.784 0.320 27.286 1.00 0.00 C ATOM 724 CG LYS A 46 32.450 0.750 25.864 1.00 0.00 C ATOM 725 CD LYS A 46 33.670 0.662 24.959 1.00 0.00 C ATOM 726 CE LYS A 46 33.970 -0.779 24.572 1.00 0.00 C ATOM 727 NZ LYS A 46 34.983 -0.864 23.486 1.00 0.00 N ATOM 0 H LYS A 46 31.606 -0.479 30.077 1.00 0.00 H new ATOM 0 HA LYS A 46 31.535 1.733 28.312 1.00 0.00 H new ATOM 0 HB2 LYS A 46 33.718 0.796 27.587 1.00 0.00 H new ATOM 0 HB3 LYS A 46 32.957 -0.756 27.296 1.00 0.00 H new ATOM 0 HG2 LYS A 46 31.655 0.119 25.468 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.072 1.772 25.870 1.00 0.00 H new ATOM 0 HD2 LYS A 46 33.502 1.255 24.060 1.00 0.00 H new ATOM 0 HD3 LYS A 46 34.534 1.092 25.467 1.00 0.00 H new ATOM 0 HE2 LYS A 46 34.329 -1.322 25.446 1.00 0.00 H new ATOM 0 HE3 LYS A 46 33.050 -1.267 24.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 35.196 -1.862 23.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 34.610 -0.412 22.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 35.852 -0.377 23.783 1.00 0.00 H new ATOM 741 N LYS A 47 29.380 0.763 27.644 1.00 0.00 N ATOM 742 CA LYS A 47 28.107 0.232 27.170 1.00 0.00 C ATOM 743 C LYS A 47 28.124 0.025 25.660 1.00 0.00 C ATOM 744 O LYS A 47 28.377 0.959 24.899 1.00 0.00 O ATOM 745 CB LYS A 47 26.959 1.164 27.559 1.00 0.00 C ATOM 746 CG LYS A 47 25.581 0.681 27.127 1.00 0.00 C ATOM 747 CD LYS A 47 24.491 1.640 27.582 1.00 0.00 C ATOM 748 CE LYS A 47 23.118 1.181 27.113 1.00 0.00 C ATOM 749 NZ LYS A 47 22.045 2.124 27.528 1.00 0.00 N ATOM 0 H LYS A 47 29.412 1.780 27.715 1.00 0.00 H new ATOM 0 HA LYS A 47 27.953 -0.737 27.645 1.00 0.00 H new ATOM 0 HB2 LYS A 47 26.963 1.292 28.641 1.00 0.00 H new ATOM 0 HB3 LYS A 47 27.140 2.146 27.121 1.00 0.00 H new ATOM 0 HG2 LYS A 47 25.552 0.582 26.042 1.00 0.00 H new ATOM 0 HG3 LYS A 47 25.394 -0.309 27.542 1.00 0.00 H new ATOM 0 HD2 LYS A 47 24.500 1.714 28.669 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.696 2.637 27.193 1.00 0.00 H new ATOM 0 HE2 LYS A 47 23.118 1.087 26.027 1.00 0.00 H new ATOM 0 HE3 LYS A 47 22.908 0.191 27.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 21.126 1.775 27.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 22.027 2.195 28.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 22.231 3.062 27.120 1.00 0.00 H new ATOM 763 N VAL A 48 27.854 -1.204 25.234 1.00 0.00 N ATOM 764 CA VAL A 48 27.863 -1.542 23.815 1.00 0.00 C ATOM 765 C VAL A 48 26.469 -1.920 23.331 1.00 0.00 C ATOM 766 O VAL A 48 25.824 -2.803 23.895 1.00 0.00 O ATOM 767 CB VAL A 48 28.830 -2.710 23.550 1.00 0.00 C ATOM 768 CG1 VAL A 48 28.832 -3.076 22.073 1.00 0.00 C ATOM 769 CG2 VAL A 48 30.230 -2.340 24.016 1.00 0.00 C ATOM 0 H VAL A 48 27.626 -1.983 25.851 1.00 0.00 H new ATOM 0 HA VAL A 48 28.196 -0.661 23.266 1.00 0.00 H new ATOM 0 HB VAL A 48 28.494 -3.581 24.113 1.00 0.00 H new ATOM 0 HG11 VAL A 48 29.521 -3.903 21.904 1.00 0.00 H new ATOM 0 HG12 VAL A 48 27.828 -3.373 21.770 1.00 0.00 H new ATOM 0 HG13 VAL A 48 29.149 -2.214 21.485 1.00 0.00 H new ATOM 0 HG21 VAL A 48 30.909 -3.171 23.825 1.00 0.00 H new ATOM 0 HG22 VAL A 48 30.573 -1.459 23.473 1.00 0.00 H new ATOM 0 HG23 VAL A 48 30.213 -2.124 25.084 1.00 0.00 H new ATOM 779 N GLU A 49 26.010 -1.246 22.282 1.00 0.00 N ATOM 780 CA GLU A 49 24.705 -1.534 21.697 1.00 0.00 C ATOM 781 C GLU A 49 24.727 -1.354 20.185 1.00 0.00 C ATOM 782 O GLU A 49 25.085 -0.289 19.682 1.00 0.00 O ATOM 783 CB GLU A 49 23.635 -0.630 22.313 1.00 0.00 C ATOM 784 CG GLU A 49 22.224 -0.890 21.804 1.00 0.00 C ATOM 785 CD GLU A 49 21.190 -0.038 22.485 1.00 0.00 C ATOM 786 OE1 GLU A 49 21.545 0.693 23.378 1.00 0.00 O ATOM 787 OE2 GLU A 49 20.043 -0.118 22.112 1.00 0.00 O ATOM 0 H GLU A 49 26.523 -0.496 21.819 1.00 0.00 H new ATOM 0 HA GLU A 49 24.464 -2.575 21.914 1.00 0.00 H new ATOM 0 HB2 GLU A 49 23.647 -0.758 23.395 1.00 0.00 H new ATOM 0 HB3 GLU A 49 23.895 0.409 22.112 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.191 -0.704 20.730 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.977 -1.941 21.954 1.00 0.00 H new ATOM 794 N ILE A 50 24.343 -2.402 19.464 1.00 0.00 N ATOM 795 CA ILE A 50 24.274 -2.347 18.009 1.00 0.00 C ATOM 796 C ILE A 50 22.830 -2.343 17.525 1.00 0.00 C ATOM 797 O ILE A 50 22.057 -3.249 17.838 1.00 0.00 O ATOM 798 CB ILE A 50 25.023 -3.536 17.379 1.00 0.00 C ATOM 799 CG1 ILE A 50 26.488 -3.539 17.823 1.00 0.00 C ATOM 800 CG2 ILE A 50 24.924 -3.483 15.862 1.00 0.00 C ATOM 801 CD1 ILE A 50 27.248 -4.781 17.415 1.00 0.00 C ATOM 0 H ILE A 50 24.075 -3.301 19.865 1.00 0.00 H new ATOM 0 HA ILE A 50 24.751 -1.418 17.697 1.00 0.00 H new ATOM 0 HB ILE A 50 24.557 -4.460 17.721 1.00 0.00 H new ATOM 0 HG12 ILE A 50 26.987 -2.665 17.403 1.00 0.00 H new ATOM 0 HG13 ILE A 50 26.529 -3.439 18.908 1.00 0.00 H new ATOM 0 HG21 ILE A 50 25.459 -4.330 15.433 1.00 0.00 H new ATOM 0 HG22 ILE A 50 23.876 -3.526 15.564 1.00 0.00 H new ATOM 0 HG23 ILE A 50 25.366 -2.554 15.501 1.00 0.00 H new ATOM 0 HD11 ILE A 50 28.278 -4.709 17.765 1.00 0.00 H new ATOM 0 HD12 ILE A 50 26.775 -5.658 17.856 1.00 0.00 H new ATOM 0 HD13 ILE A 50 27.240 -4.872 16.329 1.00 0.00 H new ATOM 813 N VAL A 51 22.470 -1.317 16.761 1.00 0.00 N ATOM 814 CA VAL A 51 21.095 -1.144 16.308 1.00 0.00 C ATOM 815 C VAL A 51 21.005 -1.198 14.789 1.00 0.00 C ATOM 816 O VAL A 51 21.695 -0.455 14.090 1.00 0.00 O ATOM 817 CB VAL A 51 20.533 0.200 16.806 1.00 0.00 C ATOM 818 CG1 VAL A 51 19.115 0.407 16.297 1.00 0.00 C ATOM 819 CG2 VAL A 51 20.572 0.247 18.326 1.00 0.00 C ATOM 0 H VAL A 51 23.113 -0.592 16.442 1.00 0.00 H new ATOM 0 HA VAL A 51 20.505 -1.962 16.721 1.00 0.00 H new ATOM 0 HB VAL A 51 21.153 1.007 16.416 1.00 0.00 H new ATOM 0 HG11 VAL A 51 18.734 1.362 16.659 1.00 0.00 H new ATOM 0 HG12 VAL A 51 19.116 0.406 15.207 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.477 -0.399 16.660 1.00 0.00 H new ATOM 0 HG21 VAL A 51 20.173 1.201 18.671 1.00 0.00 H new ATOM 0 HG22 VAL A 51 19.969 -0.566 18.731 1.00 0.00 H new ATOM 0 HG23 VAL A 51 21.602 0.140 18.667 1.00 0.00 H new ATOM 829 N ARG A 52 20.150 -2.079 14.282 1.00 0.00 N ATOM 830 CA ARG A 52 19.939 -2.204 12.845 1.00 0.00 C ATOM 831 C ARG A 52 18.849 -1.256 12.363 1.00 0.00 C ATOM 832 O ARG A 52 17.668 -1.456 12.647 1.00 0.00 O ATOM 833 CB ARG A 52 19.562 -3.633 12.481 1.00 0.00 C ATOM 834 CG ARG A 52 19.275 -3.862 11.006 1.00 0.00 C ATOM 835 CD ARG A 52 18.891 -5.271 10.734 1.00 0.00 C ATOM 836 NE ARG A 52 20.005 -6.185 10.927 1.00 0.00 N ATOM 837 CZ ARG A 52 19.879 -7.491 11.234 1.00 0.00 C ATOM 838 NH1 ARG A 52 18.685 -8.020 11.378 1.00 0.00 N ATOM 839 NH2 ARG A 52 20.957 -8.240 11.389 1.00 0.00 N ATOM 0 H ARG A 52 19.591 -2.718 14.846 1.00 0.00 H new ATOM 0 HA ARG A 52 20.875 -1.940 12.353 1.00 0.00 H new ATOM 0 HB2 ARG A 52 20.372 -4.296 12.786 1.00 0.00 H new ATOM 0 HB3 ARG A 52 18.682 -3.919 13.056 1.00 0.00 H new ATOM 0 HG2 ARG A 52 18.473 -3.197 10.684 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.157 -3.605 10.419 1.00 0.00 H new ATOM 0 HD2 ARG A 52 18.070 -5.556 11.391 1.00 0.00 H new ATOM 0 HD3 ARG A 52 18.525 -5.356 9.711 1.00 0.00 H new ATOM 0 HE ARG A 52 20.948 -5.811 10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 52 17.853 -7.442 11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.590 -9.009 11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 52 21.884 -7.829 11.276 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.862 -9.229 11.621 1.00 0.00 H new ATOM 853 N ILE A 53 19.252 -0.221 11.633 1.00 0.00 N ATOM 854 CA ILE A 53 18.313 0.775 11.132 1.00 0.00 C ATOM 855 C ILE A 53 17.729 0.356 9.789 1.00 0.00 C ATOM 856 O ILE A 53 18.458 0.163 8.817 1.00 0.00 O ATOM 857 CB ILE A 53 18.994 2.149 10.990 1.00 0.00 C ATOM 858 CG1 ILE A 53 19.504 2.635 12.349 1.00 0.00 C ATOM 859 CG2 ILE A 53 18.031 3.160 10.387 1.00 0.00 C ATOM 860 CD1 ILE A 53 20.417 3.837 12.264 1.00 0.00 C ATOM 0 H ILE A 53 20.224 -0.050 11.375 1.00 0.00 H new ATOM 0 HA ILE A 53 17.503 0.851 11.858 1.00 0.00 H new ATOM 0 HB ILE A 53 19.847 2.045 10.319 1.00 0.00 H new ATOM 0 HG12 ILE A 53 18.650 2.883 12.979 1.00 0.00 H new ATOM 0 HG13 ILE A 53 20.036 1.820 12.839 1.00 0.00 H new ATOM 0 HG21 ILE A 53 18.528 4.125 10.294 1.00 0.00 H new ATOM 0 HG22 ILE A 53 17.714 2.818 9.402 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.159 3.262 11.033 1.00 0.00 H new ATOM 0 HD11 ILE A 53 20.737 4.122 13.266 1.00 0.00 H new ATOM 0 HD12 ILE A 53 21.290 3.589 11.661 1.00 0.00 H new ATOM 0 HD13 ILE A 53 19.883 4.668 11.803 1.00 0.00 H new ATOM 872 N PHE A 54 16.408 0.216 9.742 1.00 0.00 N ATOM 873 CA PHE A 54 15.723 -0.179 8.517 1.00 0.00 C ATOM 874 C PHE A 54 15.052 1.016 7.852 1.00 0.00 C ATOM 875 O PHE A 54 14.306 1.757 8.491 1.00 0.00 O ATOM 876 CB PHE A 54 14.679 -1.257 8.813 1.00 0.00 C ATOM 877 CG PHE A 54 13.823 -1.612 7.631 1.00 0.00 C ATOM 878 CD1 PHE A 54 14.399 -1.936 6.412 1.00 0.00 C ATOM 879 CD2 PHE A 54 12.440 -1.624 7.735 1.00 0.00 C ATOM 880 CE1 PHE A 54 13.613 -2.263 5.323 1.00 0.00 C ATOM 881 CE2 PHE A 54 11.652 -1.951 6.649 1.00 0.00 C ATOM 882 CZ PHE A 54 12.240 -2.271 5.441 1.00 0.00 C ATOM 0 H PHE A 54 15.790 0.370 10.539 1.00 0.00 H new ATOM 0 HA PHE A 54 16.471 -0.580 7.833 1.00 0.00 H new ATOM 0 HB2 PHE A 54 15.187 -2.155 9.165 1.00 0.00 H new ATOM 0 HB3 PHE A 54 14.037 -0.915 9.625 1.00 0.00 H new ATOM 0 HD1 PHE A 54 15.474 -1.933 6.312 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.974 -1.375 8.677 1.00 0.00 H new ATOM 0 HE1 PHE A 54 14.075 -2.512 4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.576 -1.956 6.744 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.625 -2.527 4.591 1.00 0.00 H new ATOM 892 N SER A 55 15.323 1.198 6.564 1.00 0.00 N ATOM 893 CA SER A 55 14.738 2.298 5.806 1.00 0.00 C ATOM 894 C SER A 55 14.366 1.859 4.396 1.00 0.00 C ATOM 895 O SER A 55 14.943 0.915 3.857 1.00 0.00 O ATOM 896 CB SER A 55 15.707 3.463 5.745 1.00 0.00 C ATOM 897 OG SER A 55 16.863 3.117 5.032 1.00 0.00 O ATOM 0 H SER A 55 15.945 0.597 6.023 1.00 0.00 H new ATOM 0 HA SER A 55 13.828 2.612 6.317 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.225 4.318 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.977 3.770 6.756 1.00 0.00 H new ATOM 0 HG SER A 55 17.472 3.884 5.004 1.00 0.00 H new ATOM 903 N VAL A 56 13.400 2.551 3.802 1.00 0.00 N ATOM 904 CA VAL A 56 13.003 2.285 2.424 1.00 0.00 C ATOM 905 C VAL A 56 13.001 3.563 1.595 1.00 0.00 C ATOM 906 O VAL A 56 12.314 4.529 1.927 1.00 0.00 O ATOM 907 CB VAL A 56 11.600 1.649 2.385 1.00 0.00 C ATOM 908 CG1 VAL A 56 11.160 1.419 0.948 1.00 0.00 C ATOM 909 CG2 VAL A 56 11.602 0.343 3.165 1.00 0.00 C ATOM 0 H VAL A 56 12.877 3.301 4.254 1.00 0.00 H new ATOM 0 HA VAL A 56 13.730 1.594 1.998 1.00 0.00 H new ATOM 0 HB VAL A 56 10.889 2.331 2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.167 0.969 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.132 2.372 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.865 0.751 0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.607 -0.101 3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.321 -0.345 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.879 0.538 4.201 1.00 0.00 H new ATOM 919 N ASN A 57 13.774 3.561 0.514 1.00 0.00 N ATOM 920 CA ASN A 57 13.978 4.765 -0.283 1.00 0.00 C ATOM 921 C ASN A 57 14.591 5.882 0.552 1.00 0.00 C ATOM 922 O ASN A 57 14.204 7.044 0.432 1.00 0.00 O ATOM 923 CB ASN A 57 12.671 5.220 -0.906 1.00 0.00 C ATOM 924 CG ASN A 57 12.876 6.199 -2.029 1.00 0.00 C ATOM 925 OD1 ASN A 57 13.849 6.100 -2.786 1.00 0.00 O ATOM 926 ND2 ASN A 57 11.978 7.144 -2.151 1.00 0.00 N ATOM 0 H ASN A 57 14.270 2.739 0.170 1.00 0.00 H new ATOM 0 HA ASN A 57 14.678 4.523 -1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.129 4.351 -1.280 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.047 5.678 -0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.065 7.837 -2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.191 7.187 -1.503 1.00 0.00 H new ATOM 933 N LYS A 58 15.550 5.522 1.398 1.00 0.00 N ATOM 934 CA LYS A 58 16.202 6.489 2.273 1.00 0.00 C ATOM 935 C LYS A 58 15.201 7.134 3.224 1.00 0.00 C ATOM 936 O LYS A 58 15.343 8.299 3.594 1.00 0.00 O ATOM 937 CB LYS A 58 16.911 7.565 1.449 1.00 0.00 C ATOM 938 CG LYS A 58 17.975 7.030 0.500 1.00 0.00 C ATOM 939 CD LYS A 58 18.687 8.161 -0.227 1.00 0.00 C ATOM 940 CE LYS A 58 19.725 7.627 -1.203 1.00 0.00 C ATOM 941 NZ LYS A 58 20.405 8.722 -1.946 1.00 0.00 N ATOM 0 H LYS A 58 15.893 4.567 1.496 1.00 0.00 H new ATOM 0 HA LYS A 58 16.942 5.954 2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.167 8.112 0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.374 8.280 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.701 6.441 1.060 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.514 6.361 -0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.957 8.766 -0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 58 19.170 8.815 0.499 1.00 0.00 H new ATOM 0 HE2 LYS A 58 20.467 7.042 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.244 6.952 -1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 21.104 8.316 -2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.701 9.265 -2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.886 9.352 -1.273 1.00 0.00 H new ATOM 955 N GLU A 59 14.189 6.368 3.618 1.00 0.00 N ATOM 956 CA GLU A 59 13.208 6.835 4.590 1.00 0.00 C ATOM 957 C GLU A 59 13.097 5.874 5.766 1.00 0.00 C ATOM 958 O GLU A 59 12.697 4.721 5.602 1.00 0.00 O ATOM 959 CB GLU A 59 11.839 7.006 3.926 1.00 0.00 C ATOM 960 CG GLU A 59 10.754 7.537 4.852 1.00 0.00 C ATOM 961 CD GLU A 59 9.435 7.731 4.156 1.00 0.00 C ATOM 962 OE1 GLU A 59 9.363 7.473 2.978 1.00 0.00 O ATOM 963 OE2 GLU A 59 8.499 8.137 4.803 1.00 0.00 O ATOM 0 H GLU A 59 14.027 5.420 3.278 1.00 0.00 H new ATOM 0 HA GLU A 59 13.546 7.800 4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.941 7.685 3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.520 6.044 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.622 6.845 5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.078 8.487 5.277 1.00 0.00 H new ATOM 970 N GLU A 60 13.453 6.354 6.952 1.00 0.00 N ATOM 971 CA GLU A 60 13.513 5.506 8.136 1.00 0.00 C ATOM 972 C GLU A 60 12.159 4.872 8.429 1.00 0.00 C ATOM 973 O GLU A 60 11.147 5.565 8.528 1.00 0.00 O ATOM 974 CB GLU A 60 13.982 6.313 9.348 1.00 0.00 C ATOM 975 CG GLU A 60 14.225 5.484 10.601 1.00 0.00 C ATOM 976 CD GLU A 60 14.781 6.292 11.740 1.00 0.00 C ATOM 977 OE1 GLU A 60 14.888 7.487 11.599 1.00 0.00 O ATOM 978 OE2 GLU A 60 15.099 5.715 12.753 1.00 0.00 O ATOM 0 H GLU A 60 13.705 7.328 7.119 1.00 0.00 H new ATOM 0 HA GLU A 60 14.230 4.709 7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.903 6.834 9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.237 7.076 9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.288 5.023 10.913 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.916 4.674 10.366 1.00 0.00 H new ATOM 985 N VAL A 61 12.148 3.550 8.566 1.00 0.00 N ATOM 986 CA VAL A 61 10.917 2.819 8.843 1.00 0.00 C ATOM 987 C VAL A 61 10.894 2.302 10.275 1.00 0.00 C ATOM 988 O VAL A 61 9.960 2.577 11.030 1.00 0.00 O ATOM 989 CB VAL A 61 10.769 1.635 7.870 1.00 0.00 C ATOM 990 CG1 VAL A 61 9.533 0.816 8.212 1.00 0.00 C ATOM 991 CG2 VAL A 61 10.698 2.146 6.439 1.00 0.00 C ATOM 0 H VAL A 61 12.979 2.963 8.490 1.00 0.00 H new ATOM 0 HA VAL A 61 10.084 3.509 8.708 1.00 0.00 H new ATOM 0 HB VAL A 61 11.641 0.988 7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.444 -0.017 7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 61 9.622 0.431 9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.647 1.447 8.139 1.00 0.00 H new ATOM 0 HG21 VAL A 61 10.593 1.303 5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.839 2.809 6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 61 11.610 2.693 6.202 1.00 0.00 H new ATOM 1001 N SER A 62 11.926 1.551 10.645 1.00 0.00 N ATOM 1002 CA SER A 62 11.993 0.938 11.966 1.00 0.00 C ATOM 1003 C SER A 62 13.424 0.559 12.326 1.00 0.00 C ATOM 1004 O SER A 62 14.346 0.759 11.535 1.00 0.00 O ATOM 1005 CB SER A 62 11.108 -0.292 12.015 1.00 0.00 C ATOM 1006 OG SER A 62 11.646 -1.330 11.243 1.00 0.00 O ATOM 0 H SER A 62 12.728 1.352 10.047 1.00 0.00 H new ATOM 0 HA SER A 62 11.640 1.668 12.694 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.996 -0.623 13.048 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.112 -0.042 11.651 1.00 0.00 H new ATOM 0 HG SER A 62 11.058 -2.113 11.292 1.00 0.00 H new ATOM 1012 N ARG A 63 13.603 0.012 13.523 1.00 0.00 N ATOM 1013 CA ARG A 63 14.922 -0.398 13.989 1.00 0.00 C ATOM 1014 C ARG A 63 14.863 -1.749 14.690 1.00 0.00 C ATOM 1015 O ARG A 63 13.867 -2.083 15.332 1.00 0.00 O ATOM 1016 CB ARG A 63 15.501 0.639 14.940 1.00 0.00 C ATOM 1017 CG ARG A 63 15.668 2.028 14.345 1.00 0.00 C ATOM 1018 CD ARG A 63 16.277 2.972 15.318 1.00 0.00 C ATOM 1019 NE ARG A 63 16.261 4.341 14.828 1.00 0.00 N ATOM 1020 CZ ARG A 63 16.817 5.389 15.467 1.00 0.00 C ATOM 1021 NH1 ARG A 63 17.429 5.208 16.617 1.00 0.00 N ATOM 1022 NH2 ARG A 63 16.748 6.598 14.938 1.00 0.00 N ATOM 0 H ARG A 63 12.850 -0.158 14.189 1.00 0.00 H new ATOM 0 HA ARG A 63 15.566 -0.485 13.114 1.00 0.00 H new ATOM 0 HB2 ARG A 63 14.855 0.709 15.815 1.00 0.00 H new ATOM 0 HB3 ARG A 63 16.473 0.289 15.288 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.293 1.970 13.454 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.697 2.408 14.028 1.00 0.00 H new ATOM 0 HD2 ARG A 63 15.736 2.918 16.263 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.305 2.671 15.521 1.00 0.00 H new ATOM 0 HE ARG A 63 15.796 4.521 13.938 1.00 0.00 H new ATOM 0 HH11 ARG A 63 17.483 4.275 17.025 1.00 0.00 H new ATOM 0 HH12 ARG A 63 17.850 6.001 17.101 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.274 6.738 14.046 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.169 7.391 15.422 1.00 0.00 H new ATOM 1036 N GLU A 64 15.936 -2.523 14.564 1.00 0.00 N ATOM 1037 CA GLU A 64 16.014 -3.834 15.198 1.00 0.00 C ATOM 1038 C GLU A 64 17.216 -3.925 16.128 1.00 0.00 C ATOM 1039 O GLU A 64 18.251 -3.306 15.883 1.00 0.00 O ATOM 1040 CB GLU A 64 16.092 -4.934 14.137 1.00 0.00 C ATOM 1041 CG GLU A 64 14.882 -5.007 13.216 1.00 0.00 C ATOM 1042 CD GLU A 64 15.017 -6.064 12.156 1.00 0.00 C ATOM 1043 OE1 GLU A 64 16.055 -6.676 12.083 1.00 0.00 O ATOM 1044 OE2 GLU A 64 14.080 -6.260 11.418 1.00 0.00 O ATOM 0 H GLU A 64 16.764 -2.265 14.028 1.00 0.00 H new ATOM 0 HA GLU A 64 15.110 -3.972 15.792 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.985 -4.776 13.532 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.212 -5.896 14.636 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.991 -5.208 13.811 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.736 -4.038 12.739 1.00 0.00 H new ATOM 1051 N ILE A 65 17.073 -4.702 17.197 1.00 0.00 N ATOM 1052 CA ILE A 65 18.166 -4.922 18.136 1.00 0.00 C ATOM 1053 C ILE A 65 19.094 -6.029 17.652 1.00 0.00 C ATOM 1054 O ILE A 65 18.656 -7.151 17.398 1.00 0.00 O ATOM 1055 CB ILE A 65 17.627 -5.277 19.534 1.00 0.00 C ATOM 1056 CG1 ILE A 65 16.793 -4.121 20.094 1.00 0.00 C ATOM 1057 CG2 ILE A 65 18.772 -5.617 20.475 1.00 0.00 C ATOM 1058 CD1 ILE A 65 16.026 -4.474 21.347 1.00 0.00 C ATOM 0 H ILE A 65 16.209 -5.190 17.434 1.00 0.00 H new ATOM 0 HA ILE A 65 18.732 -3.992 18.198 1.00 0.00 H new ATOM 0 HB ILE A 65 16.985 -6.153 19.446 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.452 -3.280 20.308 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.090 -3.789 19.330 1.00 0.00 H new ATOM 0 HG21 ILE A 65 18.373 -5.865 21.459 1.00 0.00 H new ATOM 0 HG22 ILE A 65 19.325 -6.470 20.082 1.00 0.00 H new ATOM 0 HG23 ILE A 65 19.440 -4.760 20.560 1.00 0.00 H new ATOM 0 HD11 ILE A 65 15.460 -3.606 21.684 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.340 -5.294 21.135 1.00 0.00 H new ATOM 0 HD13 ILE A 65 16.724 -4.777 22.128 1.00 0.00 H new ATOM 1070 N VAL A 66 20.377 -5.707 17.527 1.00 0.00 N ATOM 1071 CA VAL A 66 21.366 -6.669 17.057 1.00 0.00 C ATOM 1072 C VAL A 66 22.137 -7.279 18.220 1.00 0.00 C ATOM 1073 O VAL A 66 22.211 -8.500 18.356 1.00 0.00 O ATOM 1074 CB VAL A 66 22.354 -5.991 16.089 1.00 0.00 C ATOM 1075 CG1 VAL A 66 23.444 -6.966 15.672 1.00 0.00 C ATOM 1076 CG2 VAL A 66 21.607 -5.464 14.873 1.00 0.00 C ATOM 0 H VAL A 66 20.756 -4.786 17.745 1.00 0.00 H new ATOM 0 HA VAL A 66 20.833 -7.464 16.537 1.00 0.00 H new ATOM 0 HB VAL A 66 22.829 -5.152 16.597 1.00 0.00 H new ATOM 0 HG11 VAL A 66 24.133 -6.471 14.988 1.00 0.00 H new ATOM 0 HG12 VAL A 66 23.988 -7.303 16.554 1.00 0.00 H new ATOM 0 HG13 VAL A 66 22.993 -7.824 15.174 1.00 0.00 H new ATOM 0 HG21 VAL A 66 22.311 -4.986 14.192 1.00 0.00 H new ATOM 0 HG22 VAL A 66 21.114 -6.291 14.362 1.00 0.00 H new ATOM 0 HG23 VAL A 66 20.860 -4.737 15.192 1.00 0.00 H new ATOM 1086 N SER A 67 22.711 -6.421 19.058 1.00 0.00 N ATOM 1087 CA SER A 67 23.506 -6.874 20.192 1.00 0.00 C ATOM 1088 C SER A 67 23.510 -5.840 21.311 1.00 0.00 C ATOM 1089 O SER A 67 23.605 -4.639 21.058 1.00 0.00 O ATOM 1090 CB SER A 67 24.929 -7.161 19.752 1.00 0.00 C ATOM 1091 OG SER A 67 25.716 -7.574 20.834 1.00 0.00 O ATOM 0 H SER A 67 22.640 -5.407 18.972 1.00 0.00 H new ATOM 0 HA SER A 67 23.054 -7.789 20.574 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.927 -7.934 18.984 1.00 0.00 H new ATOM 0 HB3 SER A 67 25.362 -6.267 19.303 1.00 0.00 H new ATOM 0 HG SER A 67 26.628 -7.755 20.525 1.00 0.00 H new ATOM 1097 N THR A 68 23.406 -6.313 22.548 1.00 0.00 N ATOM 1098 CA THR A 68 23.492 -5.439 23.712 1.00 0.00 C ATOM 1099 C THR A 68 24.359 -6.057 24.802 1.00 0.00 C ATOM 1100 O THR A 68 24.149 -7.203 25.200 1.00 0.00 O ATOM 1101 CB THR A 68 22.094 -5.129 24.277 1.00 0.00 C ATOM 1102 OG1 THR A 68 21.291 -4.514 23.260 1.00 0.00 O ATOM 1103 CG2 THR A 68 22.196 -4.193 25.471 1.00 0.00 C ATOM 0 H THR A 68 23.262 -7.298 22.771 1.00 0.00 H new ATOM 0 HA THR A 68 23.953 -4.508 23.383 1.00 0.00 H new ATOM 0 HB THR A 68 21.634 -6.063 24.599 1.00 0.00 H new ATOM 0 HG1 THR A 68 20.401 -4.318 23.620 1.00 0.00 H new ATOM 0 HG21 THR A 68 21.198 -3.985 25.857 1.00 0.00 H new ATOM 0 HG22 THR A 68 22.796 -4.662 26.251 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.667 -3.260 25.163 1.00 0.00 H new ATOM 1111 N SER A 69 25.333 -5.292 25.281 1.00 0.00 N ATOM 1112 CA SER A 69 26.215 -5.752 26.347 1.00 0.00 C ATOM 1113 C SER A 69 26.919 -4.583 27.024 1.00 0.00 C ATOM 1114 O SER A 69 27.590 -3.787 26.368 1.00 0.00 O ATOM 1115 CB SER A 69 27.242 -6.720 25.793 1.00 0.00 C ATOM 1116 OG SER A 69 28.125 -7.144 26.795 1.00 0.00 O ATOM 0 H SER A 69 25.532 -4.349 24.947 1.00 0.00 H new ATOM 0 HA SER A 69 25.604 -6.260 27.093 1.00 0.00 H new ATOM 0 HB2 SER A 69 26.737 -7.583 25.360 1.00 0.00 H new ATOM 0 HB3 SER A 69 27.801 -6.241 24.989 1.00 0.00 H new ATOM 0 HG SER A 69 28.777 -7.769 26.414 1.00 0.00 H new ATOM 1122 N THR A 70 26.761 -4.485 28.339 1.00 0.00 N ATOM 1123 CA THR A 70 27.338 -3.384 29.100 1.00 0.00 C ATOM 1124 C THR A 70 28.462 -3.870 30.007 1.00 0.00 C ATOM 1125 O THR A 70 28.270 -4.778 30.816 1.00 0.00 O ATOM 1126 CB THR A 70 26.266 -2.669 29.943 1.00 0.00 C ATOM 1127 OG1 THR A 70 25.243 -2.152 29.082 1.00 0.00 O ATOM 1128 CG2 THR A 70 26.883 -1.526 30.734 1.00 0.00 C ATOM 0 H THR A 70 26.237 -5.156 28.901 1.00 0.00 H new ATOM 0 HA THR A 70 27.749 -2.676 28.380 1.00 0.00 H new ATOM 0 HB THR A 70 25.835 -3.388 30.640 1.00 0.00 H new ATOM 0 HG1 THR A 70 24.561 -1.699 29.620 1.00 0.00 H new ATOM 0 HG21 THR A 70 26.110 -1.033 31.324 1.00 0.00 H new ATOM 0 HG22 THR A 70 27.652 -1.918 31.399 1.00 0.00 H new ATOM 0 HG23 THR A 70 27.329 -0.807 30.047 1.00 0.00 H new ATOM 1136 N THR A 71 29.634 -3.261 29.867 1.00 0.00 N ATOM 1137 CA THR A 71 30.757 -3.547 30.752 1.00 0.00 C ATOM 1138 C THR A 71 30.773 -2.600 31.945 1.00 0.00 C ATOM 1139 O THR A 71 30.903 -1.386 31.784 1.00 0.00 O ATOM 1140 CB THR A 71 32.096 -3.452 29.998 1.00 0.00 C ATOM 1141 OG1 THR A 71 32.126 -4.427 28.947 1.00 0.00 O ATOM 1142 CG2 THR A 71 33.260 -3.697 30.945 1.00 0.00 C ATOM 0 H THR A 71 29.831 -2.565 29.148 1.00 0.00 H new ATOM 0 HA THR A 71 30.629 -4.567 31.115 1.00 0.00 H new ATOM 0 HB THR A 71 32.188 -2.451 29.577 1.00 0.00 H new ATOM 0 HG1 THR A 71 32.978 -4.364 28.467 1.00 0.00 H new ATOM 0 HG21 THR A 71 34.198 -3.626 30.395 1.00 0.00 H new ATOM 0 HG22 THR A 71 33.247 -2.950 31.738 1.00 0.00 H new ATOM 0 HG23 THR A 71 33.170 -4.691 31.382 1.00 0.00 H new ATOM 1150 N ALA A 72 30.640 -3.161 33.142 1.00 0.00 N ATOM 1151 CA ALA A 72 30.582 -2.362 34.360 1.00 0.00 C ATOM 1152 C ALA A 72 31.951 -1.798 34.714 1.00 0.00 C ATOM 1153 O ALA A 72 32.973 -2.458 34.526 1.00 0.00 O ATOM 1154 CB ALA A 72 30.038 -3.194 35.513 1.00 0.00 C ATOM 0 H ALA A 72 30.570 -4.167 33.295 1.00 0.00 H new ATOM 0 HA ALA A 72 29.909 -1.524 34.181 1.00 0.00 H new ATOM 0 HB1 ALA A 72 30.000 -2.584 36.416 1.00 0.00 H new ATOM 0 HB2 ALA A 72 29.035 -3.542 35.269 1.00 0.00 H new ATOM 0 HB3 ALA A 72 30.689 -4.052 35.681 1.00 0.00 H new ATOM 1160 N PRO A 73 31.966 -0.572 35.228 1.00 0.00 N ATOM 1161 CA PRO A 73 33.205 0.062 35.661 1.00 0.00 C ATOM 1162 C PRO A 73 33.661 -0.482 37.009 1.00 0.00 C ATOM 1163 O PRO A 73 32.968 -1.288 37.630 1.00 0.00 O ATOM 1164 CB PRO A 73 32.821 1.543 35.750 1.00 0.00 C ATOM 1165 CG PRO A 73 31.388 1.525 36.161 1.00 0.00 C ATOM 1166 CD PRO A 73 30.800 0.354 35.419 1.00 0.00 C ATOM 0 HA PRO A 73 34.042 -0.120 34.987 1.00 0.00 H new ATOM 0 HB2 PRO A 73 33.437 2.071 36.477 1.00 0.00 H new ATOM 0 HB3 PRO A 73 32.955 2.047 34.793 1.00 0.00 H new ATOM 0 HG2 PRO A 73 31.285 1.404 37.239 1.00 0.00 H new ATOM 0 HG3 PRO A 73 30.887 2.456 35.896 1.00 0.00 H new ATOM 0 HD2 PRO A 73 30.002 -0.121 35.989 1.00 0.00 H new ATOM 0 HD3 PRO A 73 30.372 0.660 34.464 1.00 0.00 H new ATOM 1174 N SER A 74 34.830 -0.037 37.456 1.00 0.00 N ATOM 1175 CA SER A 74 35.348 -0.425 38.763 1.00 0.00 C ATOM 1176 C SER A 74 35.830 0.789 39.547 1.00 0.00 C ATOM 1177 O SER A 74 36.913 1.316 39.289 1.00 0.00 O ATOM 1178 CB SER A 74 36.484 -1.416 38.600 1.00 0.00 C ATOM 1179 OG SER A 74 37.044 -1.746 39.841 1.00 0.00 O ATOM 0 H SER A 74 35.437 0.593 36.932 1.00 0.00 H new ATOM 0 HA SER A 74 34.537 -0.892 39.321 1.00 0.00 H new ATOM 0 HB2 SER A 74 36.117 -2.318 38.111 1.00 0.00 H new ATOM 0 HB3 SER A 74 37.251 -0.992 37.952 1.00 0.00 H new ATOM 0 HG SER A 74 37.971 -1.430 39.876 1.00 0.00 H new ATOM 1185 N PRO A 75 35.021 1.228 40.505 1.00 0.00 N ATOM 1186 CA PRO A 75 35.410 2.311 41.399 1.00 0.00 C ATOM 1187 C PRO A 75 36.731 2.005 42.094 1.00 0.00 C ATOM 1188 O PRO A 75 36.970 0.877 42.524 1.00 0.00 O ATOM 1189 CB PRO A 75 34.248 2.369 42.396 1.00 0.00 C ATOM 1190 CG PRO A 75 33.088 1.819 41.638 1.00 0.00 C ATOM 1191 CD PRO A 75 33.677 0.711 40.806 1.00 0.00 C ATOM 0 HA PRO A 75 35.575 3.257 40.884 1.00 0.00 H new ATOM 0 HB2 PRO A 75 34.458 1.778 43.287 1.00 0.00 H new ATOM 0 HB3 PRO A 75 34.059 3.390 42.728 1.00 0.00 H new ATOM 0 HG2 PRO A 75 32.316 1.444 42.310 1.00 0.00 H new ATOM 0 HG3 PRO A 75 32.624 2.582 41.013 1.00 0.00 H new ATOM 0 HD2 PRO A 75 33.716 -0.231 41.352 1.00 0.00 H new ATOM 0 HD3 PRO A 75 33.098 0.530 39.900 1.00 0.00 H new ATOM 1199 N ARG A 76 37.585 3.017 42.201 1.00 0.00 N ATOM 1200 CA ARG A 76 38.915 2.839 42.772 1.00 0.00 C ATOM 1201 C ARG A 76 38.904 3.077 44.277 1.00 0.00 C ATOM 1202 O ARG A 76 38.485 4.136 44.745 1.00 0.00 O ATOM 1203 CB ARG A 76 39.909 3.788 42.120 1.00 0.00 C ATOM 1204 CG ARG A 76 41.355 3.595 42.550 1.00 0.00 C ATOM 1205 CD ARG A 76 42.302 4.205 41.582 1.00 0.00 C ATOM 1206 NE ARG A 76 42.189 5.655 41.553 1.00 0.00 N ATOM 1207 CZ ARG A 76 42.746 6.446 40.616 1.00 0.00 C ATOM 1208 NH1 ARG A 76 43.449 5.916 39.640 1.00 0.00 N ATOM 1209 NH2 ARG A 76 42.585 7.757 40.677 1.00 0.00 N ATOM 0 H ARG A 76 37.380 3.970 41.900 1.00 0.00 H new ATOM 0 HA ARG A 76 39.218 1.810 42.581 1.00 0.00 H new ATOM 0 HB2 ARG A 76 39.848 3.668 41.038 1.00 0.00 H new ATOM 0 HB3 ARG A 76 39.612 4.812 42.345 1.00 0.00 H new ATOM 0 HG2 ARG A 76 41.504 4.039 43.534 1.00 0.00 H new ATOM 0 HG3 ARG A 76 41.567 2.530 42.645 1.00 0.00 H new ATOM 0 HD2 ARG A 76 43.322 3.926 41.847 1.00 0.00 H new ATOM 0 HD3 ARG A 76 42.110 3.806 40.586 1.00 0.00 H new ATOM 0 HE ARG A 76 41.650 6.104 42.294 1.00 0.00 H new ATOM 0 HH11 ARG A 76 43.573 4.905 39.592 1.00 0.00 H new ATOM 0 HH12 ARG A 76 43.870 6.516 38.931 1.00 0.00 H new ATOM 0 HH21 ARG A 76 42.039 8.169 41.434 1.00 0.00 H new ATOM 0 HH22 ARG A 76 43.007 8.356 39.967 1.00 0.00 H new ATOM 1223 N ILE A 77 39.367 2.085 45.031 1.00 0.00 N ATOM 1224 CA ILE A 77 39.420 2.188 46.484 1.00 0.00 C ATOM 1225 C ILE A 77 40.854 2.102 46.990 1.00 0.00 C ATOM 1226 O ILE A 77 41.559 1.128 46.725 1.00 0.00 O ATOM 1227 CB ILE A 77 38.575 1.083 47.144 1.00 0.00 C ATOM 1228 CG1 ILE A 77 37.115 1.186 46.694 1.00 0.00 C ATOM 1229 CG2 ILE A 77 38.675 1.171 48.659 1.00 0.00 C ATOM 1230 CD1 ILE A 77 36.255 0.028 47.142 1.00 0.00 C ATOM 0 H ILE A 77 39.711 1.200 44.659 1.00 0.00 H new ATOM 0 HA ILE A 77 39.010 3.161 46.756 1.00 0.00 H new ATOM 0 HB ILE A 77 38.964 0.115 46.830 1.00 0.00 H new ATOM 0 HG12 ILE A 77 36.690 2.112 47.080 1.00 0.00 H new ATOM 0 HG13 ILE A 77 37.084 1.250 45.606 1.00 0.00 H new ATOM 0 HG21 ILE A 77 38.072 0.383 49.110 1.00 0.00 H new ATOM 0 HG22 ILE A 77 39.715 1.051 48.963 1.00 0.00 H new ATOM 0 HG23 ILE A 77 38.310 2.143 48.992 1.00 0.00 H new ATOM 0 HD11 ILE A 77 35.235 0.173 46.785 1.00 0.00 H new ATOM 0 HD12 ILE A 77 36.654 -0.901 46.734 1.00 0.00 H new ATOM 0 HD13 ILE A 77 36.254 -0.025 48.231 1.00 0.00 H new ATOM 1242 N VAL A 78 41.281 3.127 47.720 1.00 0.00 N ATOM 1243 CA VAL A 78 42.655 3.205 48.201 1.00 0.00 C ATOM 1244 C VAL A 78 42.704 3.265 49.722 1.00 0.00 C ATOM 1245 O VAL A 78 42.005 4.066 50.344 1.00 0.00 O ATOM 1246 CB VAL A 78 43.356 4.446 47.618 1.00 0.00 C ATOM 1247 CG1 VAL A 78 44.776 4.557 48.153 1.00 0.00 C ATOM 1248 CG2 VAL A 78 43.355 4.376 46.099 1.00 0.00 C ATOM 0 H VAL A 78 40.694 3.916 47.992 1.00 0.00 H new ATOM 0 HA VAL A 78 43.173 2.304 47.871 1.00 0.00 H new ATOM 0 HB VAL A 78 42.810 5.338 47.926 1.00 0.00 H new ATOM 0 HG11 VAL A 78 45.256 5.440 47.730 1.00 0.00 H new ATOM 0 HG12 VAL A 78 44.750 4.643 49.239 1.00 0.00 H new ATOM 0 HG13 VAL A 78 45.341 3.668 47.873 1.00 0.00 H new ATOM 0 HG21 VAL A 78 43.852 5.257 45.694 1.00 0.00 H new ATOM 0 HG22 VAL A 78 43.884 3.480 45.776 1.00 0.00 H new ATOM 0 HG23 VAL A 78 42.327 4.341 45.737 1.00 0.00 H new ATOM 1258 N GLU A 79 43.533 2.415 50.317 1.00 0.00 N ATOM 1259 CA GLU A 79 43.716 2.408 51.764 1.00 0.00 C ATOM 1260 C GLU A 79 44.826 3.362 52.184 1.00 0.00 C ATOM 1261 O GLU A 79 45.898 3.387 51.579 1.00 0.00 O ATOM 1262 CB GLU A 79 44.033 0.994 52.255 1.00 0.00 C ATOM 1263 CG GLU A 79 42.929 -0.023 52.001 1.00 0.00 C ATOM 1264 CD GLU A 79 43.294 -1.409 52.453 1.00 0.00 C ATOM 1265 OE1 GLU A 79 44.386 -1.587 52.938 1.00 0.00 O ATOM 1266 OE2 GLU A 79 42.480 -2.291 52.314 1.00 0.00 O ATOM 0 H GLU A 79 44.090 1.721 49.819 1.00 0.00 H new ATOM 0 HA GLU A 79 42.784 2.745 52.218 1.00 0.00 H new ATOM 0 HB2 GLU A 79 44.946 0.650 51.769 1.00 0.00 H new ATOM 0 HB3 GLU A 79 44.236 1.031 53.325 1.00 0.00 H new ATOM 0 HG2 GLU A 79 42.023 0.295 52.517 1.00 0.00 H new ATOM 0 HG3 GLU A 79 42.698 -0.043 50.936 1.00 0.00 H new ATOM 1273 N LYS A 80 44.563 4.148 53.222 1.00 0.00 N ATOM 1274 CA LYS A 80 45.539 5.108 53.724 1.00 0.00 C ATOM 1275 C LYS A 80 45.915 4.808 55.169 1.00 0.00 C ATOM 1276 O LYS A 80 45.047 4.676 56.032 1.00 0.00 O ATOM 1277 CB LYS A 80 44.997 6.534 53.606 1.00 0.00 C ATOM 1278 CG LYS A 80 45.963 7.614 54.075 1.00 0.00 C ATOM 1279 CD LYS A 80 45.370 9.003 53.890 1.00 0.00 C ATOM 1280 CE LYS A 80 46.324 10.083 54.380 1.00 0.00 C ATOM 1281 NZ LYS A 80 45.757 11.447 54.204 1.00 0.00 N ATOM 0 H LYS A 80 43.680 4.139 53.733 1.00 0.00 H new ATOM 0 HA LYS A 80 46.438 5.019 53.114 1.00 0.00 H new ATOM 0 HB2 LYS A 80 44.734 6.725 52.565 1.00 0.00 H new ATOM 0 HB3 LYS A 80 44.077 6.609 54.186 1.00 0.00 H new ATOM 0 HG2 LYS A 80 46.206 7.457 55.126 1.00 0.00 H new ATOM 0 HG3 LYS A 80 46.896 7.537 53.517 1.00 0.00 H new ATOM 0 HD2 LYS A 80 45.143 9.166 52.836 1.00 0.00 H new ATOM 0 HD3 LYS A 80 44.428 9.074 54.434 1.00 0.00 H new ATOM 0 HE2 LYS A 80 46.550 9.917 55.433 1.00 0.00 H new ATOM 0 HE3 LYS A 80 47.266 10.009 53.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 46.438 12.153 54.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 45.565 11.616 53.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 44.871 11.527 54.743 1.00 0.00 H new ATOM 1295 N GLY A 81 47.214 4.702 55.427 1.00 0.00 N ATOM 1296 CA GLY A 81 47.708 4.433 56.772 1.00 0.00 C ATOM 1297 C GLY A 81 47.487 5.628 57.690 1.00 0.00 C ATOM 1298 O GLY A 81 47.229 6.739 57.226 1.00 0.00 O ATOM 0 H GLY A 81 47.944 4.798 54.721 1.00 0.00 H new ATOM 0 HA2 GLY A 81 47.201 3.559 57.180 1.00 0.00 H new ATOM 0 HA3 GLY A 81 48.771 4.195 56.731 1.00 0.00 H new ATOM 1302 N THR A 82 47.589 5.394 58.994 1.00 0.00 N ATOM 1303 CA THR A 82 47.239 6.406 59.983 1.00 0.00 C ATOM 1304 C THR A 82 47.982 6.175 61.293 1.00 0.00 C ATOM 1305 O THR A 82 48.889 5.346 61.366 1.00 0.00 O ATOM 1306 CB THR A 82 45.722 6.423 60.245 1.00 0.00 C ATOM 1307 OG1 THR A 82 45.391 7.543 61.077 1.00 0.00 O ATOM 1308 CG2 THR A 82 45.284 5.139 60.933 1.00 0.00 C ATOM 0 H THR A 82 47.912 4.511 59.391 1.00 0.00 H new ATOM 0 HA THR A 82 47.537 7.372 59.576 1.00 0.00 H new ATOM 0 HB THR A 82 45.205 6.505 59.289 1.00 0.00 H new ATOM 0 HG1 THR A 82 44.418 7.660 61.096 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.209 5.170 61.110 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.523 4.286 60.298 1.00 0.00 H new ATOM 0 HG23 THR A 82 45.806 5.040 61.885 1.00 0.00 H new ATOM 1316 N LYS A 83 47.592 6.914 62.327 1.00 0.00 N ATOM 1317 CA LYS A 83 48.245 6.818 63.627 1.00 0.00 C ATOM 1318 C LYS A 83 47.580 5.762 64.500 1.00 0.00 C ATOM 1319 O LYS A 83 48.220 5.167 65.368 1.00 0.00 O ATOM 1320 CB LYS A 83 48.229 8.173 64.336 1.00 0.00 C ATOM 1321 CG LYS A 83 49.069 9.247 63.658 1.00 0.00 C ATOM 1322 CD LYS A 83 49.028 10.554 64.436 1.00 0.00 C ATOM 1323 CE LYS A 83 49.772 11.660 63.702 1.00 0.00 C ATOM 1324 NZ LYS A 83 51.229 11.375 63.596 1.00 0.00 N ATOM 0 H LYS A 83 46.826 7.587 62.289 1.00 0.00 H new ATOM 0 HA LYS A 83 49.280 6.519 63.459 1.00 0.00 H new ATOM 0 HB2 LYS A 83 47.199 8.523 64.402 1.00 0.00 H new ATOM 0 HB3 LYS A 83 48.587 8.040 65.357 1.00 0.00 H new ATOM 0 HG2 LYS A 83 50.100 8.905 63.572 1.00 0.00 H new ATOM 0 HG3 LYS A 83 48.703 9.413 62.645 1.00 0.00 H new ATOM 0 HD2 LYS A 83 47.992 10.853 64.594 1.00 0.00 H new ATOM 0 HD3 LYS A 83 49.471 10.407 65.421 1.00 0.00 H new ATOM 0 HE2 LYS A 83 49.352 11.779 62.703 1.00 0.00 H new ATOM 0 HE3 LYS A 83 49.624 12.605 64.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 51.709 12.183 63.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 51.622 11.220 64.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 51.375 10.523 63.017 1.00 0.00 H new