USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 717 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 45 THR OG1 : rot 20:sc= 0.385! USER MOD Set 1.2: A 48 SER OG : rot -33:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 49:sc= 0.234 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 HIS :FLIP no HE2:sc= 0.02 F(o=-2.4,f=0.02) USER MOD Single : A 10 THR OG1 : rot -120:sc= -1.47 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= -0.743 USER MOD Single : A 16 ASN :FLIP amide:sc= -3.02! C(o=-5.7!,f=-3!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 34 SER OG : rot 60:sc= -2.94 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 37 CYS SG : rot 94:sc= 0.0148 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 27:sc= 0.817 USER MOD Single : A 47 CYS SG : rot 60:sc= 0.0892 USER MOD Single : A 55 ASN : amide:sc= 0.416 K(o=0.42,f=-5.8!) USER MOD Single : A 56 GLN :FLIP amide:sc= -2.31 F(o=-5!,f=-2.3) USER MOD Single : A 58 SER OG : rot -170:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.381 K(o=0.38,f=-3.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 136:sc= -2.23! (180deg=-3.58!) USER MOD Single : A 68 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.32) USER MOD Single : A 74 ASN : amide:sc= -3.66 K(o=-3.7,f=-7.8!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.0357 K(o=-0.036,f=-1.3!) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 17:sc= 0.276 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.188 18.017 16.219 1.00 0.00 N ATOM 2 CA GLY A 1 4.969 16.598 16.009 1.00 0.00 C ATOM 3 C GLY A 1 6.253 15.796 16.083 1.00 0.00 C ATOM 4 O GLY A 1 6.672 15.382 17.164 1.00 0.00 O ATOM 0 H1 GLY A 1 4.280 18.521 16.159 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.606 18.168 17.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.835 18.380 15.490 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.269 16.227 16.757 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.505 16.445 15.035 1.00 0.00 H new ATOM 8 N SER A 2 6.879 15.575 14.932 1.00 0.00 N ATOM 9 CA SER A 2 8.120 14.812 14.871 1.00 0.00 C ATOM 10 C SER A 2 9.317 15.694 15.212 1.00 0.00 C ATOM 11 O SER A 2 9.173 16.895 15.439 1.00 0.00 O ATOM 12 CB SER A 2 8.301 14.203 13.479 1.00 0.00 C ATOM 13 OG SER A 2 7.358 13.172 13.247 1.00 0.00 O ATOM 0 H SER A 2 6.547 15.913 14.029 1.00 0.00 H new ATOM 0 HA SER A 2 8.061 14.009 15.606 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.190 14.979 12.722 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.311 13.805 13.381 1.00 0.00 H new ATOM 0 HG SER A 2 7.494 12.800 12.350 1.00 0.00 H new ATOM 19 N SER A 3 10.500 15.089 15.246 1.00 0.00 N ATOM 20 CA SER A 3 11.723 15.817 15.563 1.00 0.00 C ATOM 21 C SER A 3 12.285 16.502 14.321 1.00 0.00 C ATOM 22 O SER A 3 13.205 15.995 13.681 1.00 0.00 O ATOM 23 CB SER A 3 12.768 14.869 16.153 1.00 0.00 C ATOM 24 OG SER A 3 12.625 14.762 17.559 1.00 0.00 O ATOM 0 H SER A 3 10.637 14.096 15.058 1.00 0.00 H new ATOM 0 HA SER A 3 11.480 16.582 16.300 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.667 13.884 15.698 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.768 15.230 15.913 1.00 0.00 H new ATOM 0 HG SER A 3 13.304 14.149 17.911 1.00 0.00 H new ATOM 30 N GLY A 4 11.723 17.660 13.986 1.00 0.00 N ATOM 31 CA GLY A 4 12.180 18.397 12.822 1.00 0.00 C ATOM 32 C GLY A 4 11.960 17.635 11.531 1.00 0.00 C ATOM 33 O GLY A 4 12.905 17.383 10.783 1.00 0.00 O ATOM 0 H GLY A 4 10.960 18.100 14.500 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.656 19.351 12.771 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.241 18.622 12.931 1.00 0.00 H new ATOM 37 N SER A 5 10.711 17.265 11.269 1.00 0.00 N ATOM 38 CA SER A 5 10.371 16.521 10.061 1.00 0.00 C ATOM 39 C SER A 5 11.176 17.026 8.868 1.00 0.00 C ATOM 40 O SER A 5 11.265 18.231 8.629 1.00 0.00 O ATOM 41 CB SER A 5 8.874 16.641 9.768 1.00 0.00 C ATOM 42 OG SER A 5 8.552 17.930 9.276 1.00 0.00 O ATOM 0 H SER A 5 9.917 17.468 11.877 1.00 0.00 H new ATOM 0 HA SER A 5 10.619 15.473 10.227 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.582 15.886 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.305 16.443 10.677 1.00 0.00 H new ATOM 0 HG SER A 5 7.590 17.980 9.095 1.00 0.00 H new ATOM 48 N SER A 6 11.762 16.096 8.121 1.00 0.00 N ATOM 49 CA SER A 6 12.564 16.445 6.954 1.00 0.00 C ATOM 50 C SER A 6 12.110 15.659 5.728 1.00 0.00 C ATOM 51 O SER A 6 11.759 14.484 5.825 1.00 0.00 O ATOM 52 CB SER A 6 14.045 16.175 7.227 1.00 0.00 C ATOM 53 OG SER A 6 14.564 17.092 8.175 1.00 0.00 O ATOM 0 H SER A 6 11.696 15.095 8.303 1.00 0.00 H new ATOM 0 HA SER A 6 12.427 17.508 6.754 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.171 15.157 7.595 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.609 16.250 6.297 1.00 0.00 H new ATOM 0 HG SER A 6 13.969 17.130 8.953 1.00 0.00 H new ATOM 59 N GLY A 7 12.120 16.318 4.573 1.00 0.00 N ATOM 60 CA GLY A 7 11.707 15.667 3.344 1.00 0.00 C ATOM 61 C GLY A 7 10.430 16.255 2.776 1.00 0.00 C ATOM 62 O GLY A 7 9.615 16.813 3.512 1.00 0.00 O ATOM 0 H GLY A 7 12.407 17.291 4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.503 15.754 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.561 14.603 3.531 1.00 0.00 H new ATOM 66 N CYS A 8 10.255 16.132 1.465 1.00 0.00 N ATOM 67 CA CYS A 8 9.069 16.658 0.799 1.00 0.00 C ATOM 68 C CYS A 8 8.002 15.578 0.656 1.00 0.00 C ATOM 69 O CYS A 8 6.813 15.836 0.847 1.00 0.00 O ATOM 70 CB CYS A 8 9.436 17.215 -0.577 1.00 0.00 C ATOM 71 SG CYS A 8 8.135 18.209 -1.342 1.00 0.00 S ATOM 0 H CYS A 8 10.919 15.673 0.842 1.00 0.00 H new ATOM 0 HA CYS A 8 8.665 17.463 1.413 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.335 17.824 -0.483 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.681 16.385 -1.240 1.00 0.00 H new ATOM 0 HG CYS A 8 8.540 18.637 -2.501 1.00 0.00 H new ATOM 77 N HIS A 9 8.434 14.367 0.317 1.00 0.00 N ATOM 78 CA HIS A 9 7.515 13.248 0.147 1.00 0.00 C ATOM 79 C HIS A 9 6.584 13.121 1.350 1.00 0.00 C ATOM 80 O HIS A 9 6.741 13.827 2.347 1.00 0.00 O ATOM 81 CB HIS A 9 8.293 11.947 -0.049 1.00 0.00 C ATOM 82 CG HIS A 9 8.604 11.645 -1.483 1.00 0.00 C ATOM 83 ND1 HIS A 9 8.041 10.765 -2.344 1.00 0.00 N flip ATOM 84 CD2 HIS A 9 9.603 12.283 -2.187 1.00 0.00 C flip ATOM 85 CE1 HIS A 9 8.703 10.888 -3.541 1.00 0.00 C flip ATOM 86 NE2 HIS A 9 9.640 11.810 -3.420 1.00 0.00 N flip ATOM 0 H HIS A 9 9.414 14.136 0.155 1.00 0.00 H new ATOM 0 HA HIS A 9 6.910 13.439 -0.740 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.226 12.003 0.512 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.717 11.122 0.371 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.269 10.129 -2.142 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.254 13.049 -1.792 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.491 10.322 -4.436 1.00 0.00 H new ATOM 94 N THR A 10 5.614 12.217 1.249 1.00 0.00 N ATOM 95 CA THR A 10 4.658 11.999 2.327 1.00 0.00 C ATOM 96 C THR A 10 4.386 10.513 2.529 1.00 0.00 C ATOM 97 O THR A 10 3.742 9.871 1.698 1.00 0.00 O ATOM 98 CB THR A 10 3.325 12.720 2.049 1.00 0.00 C ATOM 99 OG1 THR A 10 3.576 14.025 1.516 1.00 0.00 O ATOM 100 CG2 THR A 10 2.498 12.837 3.321 1.00 0.00 C ATOM 0 H THR A 10 5.470 11.624 0.431 1.00 0.00 H new ATOM 0 HA THR A 10 5.104 12.410 3.233 1.00 0.00 H new ATOM 0 HB THR A 10 2.764 12.133 1.322 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.186 14.701 2.108 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.562 13.349 3.100 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.284 11.841 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.055 13.405 4.066 1.00 0.00 H new ATOM 108 N LEU A 11 4.880 9.971 3.636 1.00 0.00 N ATOM 109 CA LEU A 11 4.690 8.559 3.948 1.00 0.00 C ATOM 110 C LEU A 11 3.426 8.350 4.776 1.00 0.00 C ATOM 111 O LEU A 11 3.092 9.166 5.637 1.00 0.00 O ATOM 112 CB LEU A 11 5.904 8.015 4.703 1.00 0.00 C ATOM 113 CG LEU A 11 7.229 8.028 3.941 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.392 8.246 4.897 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.410 6.731 3.165 1.00 0.00 C ATOM 0 H LEU A 11 5.416 10.488 4.333 1.00 0.00 H new ATOM 0 HA LEU A 11 4.581 8.016 3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.028 8.595 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.690 6.989 5.003 1.00 0.00 H new ATOM 0 HG LEU A 11 7.210 8.854 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.327 8.252 4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.269 9.201 5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.415 7.441 5.632 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.358 6.757 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.408 5.889 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.593 6.616 2.453 1.00 0.00 H new ATOM 127 N LEU A 12 2.727 7.251 4.513 1.00 0.00 N ATOM 128 CA LEU A 12 1.501 6.933 5.235 1.00 0.00 C ATOM 129 C LEU A 12 1.704 5.729 6.150 1.00 0.00 C ATOM 130 O LEU A 12 2.564 4.884 5.898 1.00 0.00 O ATOM 131 CB LEU A 12 0.364 6.653 4.251 1.00 0.00 C ATOM 132 CG LEU A 12 -0.342 7.881 3.675 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.619 7.475 2.955 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.647 8.887 4.776 1.00 0.00 C ATOM 0 H LEU A 12 2.989 6.565 3.805 1.00 0.00 H new ATOM 0 HA LEU A 12 1.238 7.794 5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.763 6.066 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.379 6.033 4.752 1.00 0.00 H new ATOM 0 HG LEU A 12 0.324 8.353 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.107 8.362 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.376 6.793 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.290 6.979 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.149 9.754 4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.294 8.425 5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.283 9.203 5.248 1.00 0.00 H new ATOM 146 N TYR A 13 0.907 5.656 7.210 1.00 0.00 N ATOM 147 CA TYR A 13 1.000 4.556 8.162 1.00 0.00 C ATOM 148 C TYR A 13 -0.351 3.866 8.330 1.00 0.00 C ATOM 149 O TYR A 13 -1.298 4.449 8.856 1.00 0.00 O ATOM 150 CB TYR A 13 1.496 5.066 9.516 1.00 0.00 C ATOM 151 CG TYR A 13 2.855 5.727 9.453 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.800 5.329 8.515 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.193 6.749 10.330 1.00 0.00 C ATOM 154 CE1 TYR A 13 5.043 5.929 8.455 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.432 7.357 10.276 1.00 0.00 C ATOM 156 CZ TYR A 13 5.354 6.943 9.337 1.00 0.00 C ATOM 157 OH TYR A 13 6.590 7.544 9.279 1.00 0.00 O ATOM 0 H TYR A 13 0.189 6.346 7.432 1.00 0.00 H new ATOM 0 HA TYR A 13 1.713 3.830 7.771 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.773 5.778 9.914 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.539 4.231 10.216 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.559 4.537 7.821 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.474 7.074 11.068 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.767 5.606 7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.678 8.152 10.965 1.00 0.00 H new ATOM 0 HH TYR A 13 6.648 8.239 9.967 1.00 0.00 H new ATOM 167 N VAL A 14 -0.430 2.618 7.879 1.00 0.00 N ATOM 168 CA VAL A 14 -1.663 1.845 7.980 1.00 0.00 C ATOM 169 C VAL A 14 -1.637 0.926 9.195 1.00 0.00 C ATOM 170 O VAL A 14 -0.583 0.422 9.584 1.00 0.00 O ATOM 171 CB VAL A 14 -1.900 0.999 6.715 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.253 0.308 6.781 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.794 1.864 5.468 1.00 0.00 C ATOM 0 H VAL A 14 0.345 2.121 7.440 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.478 2.561 8.087 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.129 0.231 6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.403 -0.285 5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.286 -0.344 7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.041 1.057 6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.964 1.250 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.542 2.656 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.800 2.307 5.416 1.00 0.00 H new ATOM 183 N TYR A 15 -2.804 0.712 9.793 1.00 0.00 N ATOM 184 CA TYR A 15 -2.916 -0.146 10.966 1.00 0.00 C ATOM 185 C TYR A 15 -4.181 -0.996 10.902 1.00 0.00 C ATOM 186 O TYR A 15 -5.026 -0.806 10.028 1.00 0.00 O ATOM 187 CB TYR A 15 -2.920 0.698 12.242 1.00 0.00 C ATOM 188 CG TYR A 15 -1.780 1.690 12.316 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.890 2.948 11.737 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.594 1.368 12.964 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.851 3.857 11.801 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.449 2.271 13.035 1.00 0.00 C ATOM 193 CZ TYR A 15 0.316 3.514 12.451 1.00 0.00 C ATOM 194 OH TYR A 15 1.352 4.416 12.518 1.00 0.00 O ATOM 0 H TYR A 15 -3.686 1.121 9.484 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.053 -0.812 10.980 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.865 1.238 12.308 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.871 0.035 13.106 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.803 3.220 11.228 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.486 0.395 13.420 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.952 4.831 11.345 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.363 2.006 13.545 1.00 0.00 H new ATOM 0 HH TYR A 15 2.100 4.019 13.011 1.00 0.00 H new ATOM 204 N ASN A 16 -4.304 -1.934 11.835 1.00 0.00 N ATOM 205 CA ASN A 16 -5.466 -2.814 11.885 1.00 0.00 C ATOM 206 C ASN A 16 -5.565 -3.657 10.618 1.00 0.00 C ATOM 207 O ASN A 16 -6.596 -3.666 9.943 1.00 0.00 O ATOM 208 CB ASN A 16 -6.745 -1.995 12.068 1.00 0.00 C ATOM 209 CG ASN A 16 -6.858 -1.401 13.458 1.00 0.00 C ATOM 210 OD1 ASN A 16 -5.846 -0.640 13.860 1.00 0.00 O flip ATOM 211 ND2 ASN A 16 -7.843 -1.623 14.162 1.00 0.00 N flip ATOM 0 H ASN A 16 -3.614 -2.104 12.566 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.347 -3.484 12.737 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.768 -1.193 11.330 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.610 -2.630 11.876 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.597 -2.214 13.812 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.905 -1.216 15.095 1.00 0.00 H new ATOM 218 N LEU A 17 -4.488 -4.366 10.300 1.00 0.00 N ATOM 219 CA LEU A 17 -4.452 -5.214 9.113 1.00 0.00 C ATOM 220 C LEU A 17 -4.672 -6.678 9.483 1.00 0.00 C ATOM 221 O LEU A 17 -4.243 -7.148 10.536 1.00 0.00 O ATOM 222 CB LEU A 17 -3.115 -5.055 8.388 1.00 0.00 C ATOM 223 CG LEU A 17 -2.888 -3.716 7.685 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.401 -3.409 7.589 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.523 -3.725 6.302 1.00 0.00 C ATOM 0 H LEU A 17 -3.627 -4.371 10.847 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.257 -4.901 8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.313 -5.204 9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.029 -5.850 7.648 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.363 -2.932 8.275 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.259 -2.453 7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.974 -3.359 8.591 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.903 -4.195 7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.351 -2.764 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.078 -4.519 5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.595 -3.898 6.395 1.00 0.00 H new ATOM 237 N PRO A 18 -5.355 -7.416 8.596 1.00 0.00 N ATOM 238 CA PRO A 18 -5.645 -8.838 8.805 1.00 0.00 C ATOM 239 C PRO A 18 -4.394 -9.704 8.711 1.00 0.00 C ATOM 240 O PRO A 18 -4.056 -10.209 7.641 1.00 0.00 O ATOM 241 CB PRO A 18 -6.615 -9.173 7.670 1.00 0.00 C ATOM 242 CG PRO A 18 -6.310 -8.177 6.604 1.00 0.00 C ATOM 243 CD PRO A 18 -5.897 -6.920 7.319 1.00 0.00 C ATOM 0 HA PRO A 18 -6.049 -9.030 9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.469 -10.192 7.313 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.651 -9.096 7.999 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.513 -8.535 5.952 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.182 -8.000 5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.149 -6.364 6.754 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.742 -6.250 7.475 1.00 0.00 H new ATOM 251 N ALA A 19 -3.711 -9.873 9.839 1.00 0.00 N ATOM 252 CA ALA A 19 -2.498 -10.681 9.883 1.00 0.00 C ATOM 253 C ALA A 19 -2.711 -12.028 9.201 1.00 0.00 C ATOM 254 O ALA A 19 -1.966 -12.400 8.295 1.00 0.00 O ATOM 255 CB ALA A 19 -2.051 -10.882 11.324 1.00 0.00 C ATOM 0 H ALA A 19 -3.977 -9.462 10.734 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.716 -10.149 9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.144 -11.487 11.343 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.850 -9.913 11.781 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.838 -11.390 11.881 1.00 0.00 H new ATOM 261 N ASN A 20 -3.732 -12.756 9.643 1.00 0.00 N ATOM 262 CA ASN A 20 -4.041 -14.063 9.075 1.00 0.00 C ATOM 263 C ASN A 20 -3.869 -14.052 7.559 1.00 0.00 C ATOM 264 O ASN A 20 -3.286 -14.970 6.982 1.00 0.00 O ATOM 265 CB ASN A 20 -5.471 -14.473 9.435 1.00 0.00 C ATOM 266 CG ASN A 20 -5.556 -15.139 10.794 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.040 -14.547 11.759 1.00 0.00 O ATOM 268 ND2 ASN A 20 -5.086 -16.379 10.876 1.00 0.00 N ATOM 0 H ASN A 20 -4.359 -12.463 10.392 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.345 -14.789 9.496 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.112 -13.592 9.424 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.853 -15.154 8.675 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.118 -16.879 11.765 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.693 -16.831 10.050 1.00 0.00 H new ATOM 275 N LYS A 21 -4.381 -13.006 6.919 1.00 0.00 N ATOM 276 CA LYS A 21 -4.283 -12.873 5.470 1.00 0.00 C ATOM 277 C LYS A 21 -2.827 -12.761 5.031 1.00 0.00 C ATOM 278 O LYS A 21 -2.182 -11.734 5.243 1.00 0.00 O ATOM 279 CB LYS A 21 -5.066 -11.646 4.997 1.00 0.00 C ATOM 280 CG LYS A 21 -6.551 -11.714 5.307 1.00 0.00 C ATOM 281 CD LYS A 21 -7.327 -12.368 4.176 1.00 0.00 C ATOM 282 CE LYS A 21 -6.873 -13.801 3.943 1.00 0.00 C ATOM 283 NZ LYS A 21 -7.906 -14.600 3.228 1.00 0.00 N ATOM 0 H LYS A 21 -4.868 -12.238 7.381 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.712 -13.767 5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.646 -10.755 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.933 -11.533 3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.706 -12.276 6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.934 -10.708 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.392 -12.356 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.195 -11.790 3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.950 -13.800 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.648 -14.271 4.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.559 -15.570 3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.779 -14.623 3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.102 -14.166 2.303 1.00 0.00 H new ATOM 297 N ASP A 22 -2.316 -13.822 4.417 1.00 0.00 N ATOM 298 CA ASP A 22 -0.936 -13.841 3.945 1.00 0.00 C ATOM 299 C ASP A 22 -0.519 -12.468 3.429 1.00 0.00 C ATOM 300 O ASP A 22 -1.141 -11.920 2.519 1.00 0.00 O ATOM 301 CB ASP A 22 -0.767 -14.888 2.842 1.00 0.00 C ATOM 302 CG ASP A 22 -0.426 -16.259 3.393 1.00 0.00 C ATOM 303 OD1 ASP A 22 0.778 -16.554 3.545 1.00 0.00 O ATOM 304 OD2 ASP A 22 -1.363 -17.036 3.671 1.00 0.00 O ATOM 0 H ASP A 22 -2.836 -14.680 4.234 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.294 -14.103 4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.687 -14.952 2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.020 -14.568 2.159 1.00 0.00 H new ATOM 309 N GLY A 23 0.538 -11.916 4.017 1.00 0.00 N ATOM 310 CA GLY A 23 1.020 -10.611 3.603 1.00 0.00 C ATOM 311 C GLY A 23 0.975 -10.426 2.100 1.00 0.00 C ATOM 312 O GLY A 23 0.488 -9.409 1.606 1.00 0.00 O ATOM 0 H GLY A 23 1.069 -12.349 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.418 -9.837 4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.044 -10.478 3.952 1.00 0.00 H new ATOM 316 N LYS A 24 1.486 -11.410 1.369 1.00 0.00 N ATOM 317 CA LYS A 24 1.504 -11.353 -0.088 1.00 0.00 C ATOM 318 C LYS A 24 0.149 -10.910 -0.632 1.00 0.00 C ATOM 319 O LYS A 24 0.075 -10.094 -1.550 1.00 0.00 O ATOM 320 CB LYS A 24 1.877 -12.719 -0.669 1.00 0.00 C ATOM 321 CG LYS A 24 3.373 -12.923 -0.831 1.00 0.00 C ATOM 322 CD LYS A 24 3.921 -12.126 -2.003 1.00 0.00 C ATOM 323 CE LYS A 24 5.410 -11.858 -1.847 1.00 0.00 C ATOM 324 NZ LYS A 24 5.962 -11.101 -3.004 1.00 0.00 N ATOM 0 H LYS A 24 1.894 -12.258 1.762 1.00 0.00 H new ATOM 0 HA LYS A 24 2.254 -10.621 -0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.480 -13.501 -0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.396 -12.835 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.883 -12.623 0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.583 -13.982 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.744 -12.671 -2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.386 -11.180 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.584 -11.296 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.941 -12.805 -1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.979 -10.939 -2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.820 -11.648 -3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.474 -10.186 -3.085 1.00 0.00 H new ATOM 338 N SER A 25 -0.920 -11.453 -0.058 1.00 0.00 N ATOM 339 CA SER A 25 -2.272 -11.116 -0.486 1.00 0.00 C ATOM 340 C SER A 25 -2.644 -9.702 -0.049 1.00 0.00 C ATOM 341 O SER A 25 -3.141 -8.904 -0.844 1.00 0.00 O ATOM 342 CB SER A 25 -3.276 -12.119 0.085 1.00 0.00 C ATOM 343 OG SER A 25 -4.393 -12.267 -0.774 1.00 0.00 O ATOM 0 H SER A 25 -0.875 -12.128 0.705 1.00 0.00 H new ATOM 0 HA SER A 25 -2.303 -11.161 -1.575 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.790 -13.085 0.225 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.610 -11.785 1.067 1.00 0.00 H new ATOM 0 HG SER A 25 -5.019 -12.914 -0.388 1.00 0.00 H new ATOM 349 N VAL A 26 -2.399 -9.399 1.222 1.00 0.00 N ATOM 350 CA VAL A 26 -2.706 -8.082 1.767 1.00 0.00 C ATOM 351 C VAL A 26 -2.024 -6.981 0.961 1.00 0.00 C ATOM 352 O VAL A 26 -2.687 -6.129 0.371 1.00 0.00 O ATOM 353 CB VAL A 26 -2.271 -7.969 3.240 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.540 -6.568 3.770 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.983 -9.014 4.087 1.00 0.00 C ATOM 0 H VAL A 26 -1.989 -10.048 1.893 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.787 -7.958 1.705 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.199 -8.155 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.226 -6.507 4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.981 -5.842 3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.606 -6.350 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.664 -8.920 5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.060 -8.861 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.735 -10.010 3.720 1.00 0.00 H new ATOM 365 N SER A 27 -0.695 -7.006 0.942 1.00 0.00 N ATOM 366 CA SER A 27 0.077 -6.009 0.211 1.00 0.00 C ATOM 367 C SER A 27 -0.549 -5.727 -1.151 1.00 0.00 C ATOM 368 O SER A 27 -0.575 -4.586 -1.610 1.00 0.00 O ATOM 369 CB SER A 27 1.522 -6.481 0.034 1.00 0.00 C ATOM 370 OG SER A 27 2.312 -5.482 -0.586 1.00 0.00 O ATOM 0 H SER A 27 -0.131 -7.706 1.424 1.00 0.00 H new ATOM 0 HA SER A 27 0.072 -5.086 0.791 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.947 -6.734 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.540 -7.389 -0.568 1.00 0.00 H new ATOM 0 HG SER A 27 3.231 -5.807 -0.686 1.00 0.00 H new ATOM 376 N ASN A 28 -1.052 -6.777 -1.792 1.00 0.00 N ATOM 377 CA ASN A 28 -1.678 -6.645 -3.103 1.00 0.00 C ATOM 378 C ASN A 28 -2.938 -5.789 -3.020 1.00 0.00 C ATOM 379 O ASN A 28 -3.079 -4.802 -3.743 1.00 0.00 O ATOM 380 CB ASN A 28 -2.021 -8.024 -3.669 1.00 0.00 C ATOM 381 CG ASN A 28 -2.391 -7.970 -5.139 1.00 0.00 C ATOM 382 OD1 ASN A 28 -1.567 -8.254 -6.008 1.00 0.00 O ATOM 383 ND2 ASN A 28 -3.635 -7.604 -5.423 1.00 0.00 N ATOM 0 H ASN A 28 -1.038 -7.729 -1.425 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.969 -6.153 -3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.169 -8.691 -3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.850 -8.450 -3.104 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.941 -7.549 -6.394 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.285 -7.377 -4.670 1.00 0.00 H new ATOM 390 N ARG A 29 -3.850 -6.173 -2.133 1.00 0.00 N ATOM 391 CA ARG A 29 -5.099 -5.442 -1.956 1.00 0.00 C ATOM 392 C ARG A 29 -4.834 -3.949 -1.777 1.00 0.00 C ATOM 393 O ARG A 29 -5.496 -3.112 -2.393 1.00 0.00 O ATOM 394 CB ARG A 29 -5.864 -5.983 -0.747 1.00 0.00 C ATOM 395 CG ARG A 29 -7.114 -5.185 -0.410 1.00 0.00 C ATOM 396 CD ARG A 29 -8.117 -5.214 -1.552 1.00 0.00 C ATOM 397 NE ARG A 29 -8.588 -6.567 -1.834 1.00 0.00 N ATOM 398 CZ ARG A 29 -9.507 -6.850 -2.750 1.00 0.00 C ATOM 399 NH1 ARG A 29 -10.052 -5.878 -3.470 1.00 0.00 N ATOM 400 NH2 ARG A 29 -9.883 -8.107 -2.949 1.00 0.00 N ATOM 0 H ARG A 29 -3.747 -6.986 -1.526 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.703 -5.582 -2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.145 -7.018 -0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.202 -5.988 0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.574 -5.591 0.491 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.840 -4.153 -0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.967 -4.579 -1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.658 -4.796 -2.448 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.189 -7.338 -1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.765 -4.911 -3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.758 -6.098 -4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.466 -8.857 -2.398 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.589 -8.323 -3.653 1.00 0.00 H new ATOM 414 N LEU A 30 -3.863 -3.623 -0.931 1.00 0.00 N ATOM 415 CA LEU A 30 -3.511 -2.232 -0.671 1.00 0.00 C ATOM 416 C LEU A 30 -2.826 -1.608 -1.882 1.00 0.00 C ATOM 417 O LEU A 30 -3.165 -0.500 -2.297 1.00 0.00 O ATOM 418 CB LEU A 30 -2.596 -2.137 0.552 1.00 0.00 C ATOM 419 CG LEU A 30 -3.264 -2.366 1.909 1.00 0.00 C ATOM 420 CD1 LEU A 30 -3.317 -3.850 2.234 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.526 -1.605 3.001 1.00 0.00 C ATOM 0 H LEU A 30 -3.306 -4.303 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.431 -1.681 -0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.793 -2.865 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.133 -1.150 0.559 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.286 -1.990 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.795 -3.993 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.889 -4.370 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.304 -4.252 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.015 -1.779 3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.494 -1.951 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.540 -0.539 2.775 1.00 0.00 H new ATOM 433 N ARG A 31 -1.861 -2.328 -2.446 1.00 0.00 N ATOM 434 CA ARG A 31 -1.129 -1.845 -3.610 1.00 0.00 C ATOM 435 C ARG A 31 -2.059 -1.110 -4.571 1.00 0.00 C ATOM 436 O ARG A 31 -1.755 -0.005 -5.022 1.00 0.00 O ATOM 437 CB ARG A 31 -0.451 -3.011 -4.332 1.00 0.00 C ATOM 438 CG ARG A 31 0.944 -3.320 -3.813 1.00 0.00 C ATOM 439 CD ARG A 31 1.480 -4.618 -4.397 1.00 0.00 C ATOM 440 NE ARG A 31 2.930 -4.725 -4.253 1.00 0.00 N ATOM 441 CZ ARG A 31 3.663 -5.646 -4.868 1.00 0.00 C ATOM 442 NH1 ARG A 31 3.086 -6.534 -5.665 1.00 0.00 N ATOM 443 NH2 ARG A 31 4.978 -5.679 -4.687 1.00 0.00 N ATOM 0 H ARG A 31 -1.568 -3.248 -2.115 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.366 -1.147 -3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.072 -3.901 -4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.391 -2.783 -5.396 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.617 -2.501 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.922 -3.391 -2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.003 -5.463 -3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.215 -4.677 -5.453 1.00 0.00 H new ATOM 0 HE ARG A 31 3.405 -4.056 -3.647 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.076 -6.511 -5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.652 -7.240 -6.136 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.426 -4.997 -4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.540 -6.387 -5.160 1.00 0.00 H new ATOM 457 N ARG A 32 -3.193 -1.730 -4.880 1.00 0.00 N ATOM 458 CA ARG A 32 -4.166 -1.136 -5.788 1.00 0.00 C ATOM 459 C ARG A 32 -4.674 0.197 -5.244 1.00 0.00 C ATOM 460 O ARG A 32 -4.744 1.189 -5.971 1.00 0.00 O ATOM 461 CB ARG A 32 -5.342 -2.090 -6.006 1.00 0.00 C ATOM 462 CG ARG A 32 -5.148 -3.038 -7.178 1.00 0.00 C ATOM 463 CD ARG A 32 -5.690 -2.445 -8.469 1.00 0.00 C ATOM 464 NE ARG A 32 -7.123 -2.175 -8.388 1.00 0.00 N ATOM 465 CZ ARG A 32 -7.915 -2.088 -9.451 1.00 0.00 C ATOM 466 NH1 ARG A 32 -7.416 -2.249 -10.669 1.00 0.00 N ATOM 467 NH2 ARG A 32 -9.209 -1.841 -9.296 1.00 0.00 N ATOM 0 H ARG A 32 -3.460 -2.644 -4.515 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.671 -0.956 -6.742 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.498 -2.674 -5.099 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.248 -1.506 -6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.088 -3.261 -7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.651 -3.982 -6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.159 -1.520 -8.694 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.497 -3.132 -9.293 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.538 -2.046 -7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.422 -2.440 -10.792 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.027 -2.182 -11.483 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.596 -1.718 -8.360 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.817 -1.774 -10.112 1.00 0.00 H new ATOM 481 N LEU A 33 -5.026 0.212 -3.964 1.00 0.00 N ATOM 482 CA LEU A 33 -5.528 1.423 -3.322 1.00 0.00 C ATOM 483 C LEU A 33 -4.471 2.523 -3.334 1.00 0.00 C ATOM 484 O LEU A 33 -4.795 3.709 -3.267 1.00 0.00 O ATOM 485 CB LEU A 33 -5.952 1.123 -1.884 1.00 0.00 C ATOM 486 CG LEU A 33 -7.038 0.060 -1.712 1.00 0.00 C ATOM 487 CD1 LEU A 33 -6.943 -0.583 -0.338 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.417 0.669 -1.923 1.00 0.00 C ATOM 0 H LEU A 33 -4.973 -0.600 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.395 1.771 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.071 0.807 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.303 2.049 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.884 -0.714 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.724 -1.337 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.967 -1.054 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.071 0.180 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.178 -0.101 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.580 1.463 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.482 1.082 -2.930 1.00 0.00 H new ATOM 500 N SER A 34 -3.207 2.121 -3.422 1.00 0.00 N ATOM 501 CA SER A 34 -2.102 3.073 -3.441 1.00 0.00 C ATOM 502 C SER A 34 -1.771 3.492 -4.870 1.00 0.00 C ATOM 503 O SER A 34 -1.330 4.615 -5.113 1.00 0.00 O ATOM 504 CB SER A 34 -0.866 2.465 -2.776 1.00 0.00 C ATOM 505 OG SER A 34 0.075 3.468 -2.435 1.00 0.00 O ATOM 0 H SER A 34 -2.923 1.143 -3.481 1.00 0.00 H new ATOM 0 HA SER A 34 -2.407 3.958 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.162 1.920 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.405 1.743 -3.450 1.00 0.00 H new ATOM 0 HG SER A 34 -0.336 4.104 -1.813 1.00 0.00 H new ATOM 511 N ASP A 35 -1.987 2.580 -5.812 1.00 0.00 N ATOM 512 CA ASP A 35 -1.713 2.853 -7.218 1.00 0.00 C ATOM 513 C ASP A 35 -2.633 3.949 -7.748 1.00 0.00 C ATOM 514 O ASP A 35 -2.186 4.875 -8.424 1.00 0.00 O ATOM 515 CB ASP A 35 -1.882 1.581 -8.050 1.00 0.00 C ATOM 516 CG ASP A 35 -1.975 1.868 -9.535 1.00 0.00 C ATOM 517 OD1 ASP A 35 -1.008 2.429 -10.093 1.00 0.00 O ATOM 518 OD2 ASP A 35 -3.014 1.532 -10.141 1.00 0.00 O ATOM 0 H ASP A 35 -2.351 1.645 -5.627 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.682 3.197 -7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.040 0.914 -7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.781 1.056 -7.727 1.00 0.00 H new ATOM 523 N ASN A 36 -3.920 3.835 -7.437 1.00 0.00 N ATOM 524 CA ASN A 36 -4.904 4.815 -7.884 1.00 0.00 C ATOM 525 C ASN A 36 -4.740 6.132 -7.131 1.00 0.00 C ATOM 526 O ASN A 36 -5.063 7.200 -7.652 1.00 0.00 O ATOM 527 CB ASN A 36 -6.321 4.274 -7.685 1.00 0.00 C ATOM 528 CG ASN A 36 -7.332 4.953 -8.588 1.00 0.00 C ATOM 529 OD1 ASN A 36 -7.706 6.104 -8.364 1.00 0.00 O ATOM 530 ND2 ASN A 36 -7.779 4.241 -9.616 1.00 0.00 N ATOM 0 H ASN A 36 -4.306 3.074 -6.878 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.739 5.000 -8.945 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.328 3.201 -7.879 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.617 4.412 -6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.460 4.645 -10.259 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.441 3.290 -9.763 1.00 0.00 H new ATOM 537 N CYS A 37 -4.236 6.048 -5.905 1.00 0.00 N ATOM 538 CA CYS A 37 -4.029 7.233 -5.080 1.00 0.00 C ATOM 539 C CYS A 37 -2.582 7.708 -5.165 1.00 0.00 C ATOM 540 O CYS A 37 -2.079 8.363 -4.254 1.00 0.00 O ATOM 541 CB CYS A 37 -4.397 6.937 -3.626 1.00 0.00 C ATOM 542 SG CYS A 37 -6.043 6.222 -3.411 1.00 0.00 S ATOM 0 H CYS A 37 -3.963 5.172 -5.460 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.675 8.026 -5.456 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.658 6.253 -3.208 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.337 7.862 -3.052 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.952 4.926 -3.377 1.00 0.00 H new ATOM 548 N GLY A 38 -1.918 7.373 -6.267 1.00 0.00 N ATOM 549 CA GLY A 38 -0.535 7.773 -6.450 1.00 0.00 C ATOM 550 C GLY A 38 0.318 7.483 -5.231 1.00 0.00 C ATOM 551 O GLY A 38 0.750 8.401 -4.535 1.00 0.00 O ATOM 0 H GLY A 38 -2.313 6.832 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.120 7.251 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.495 8.839 -6.673 1.00 0.00 H new ATOM 555 N GLY A 39 0.562 6.202 -4.972 1.00 0.00 N ATOM 556 CA GLY A 39 1.367 5.817 -3.827 1.00 0.00 C ATOM 557 C GLY A 39 2.067 4.488 -4.031 1.00 0.00 C ATOM 558 O GLY A 39 1.836 3.802 -5.027 1.00 0.00 O ATOM 0 H GLY A 39 0.217 5.424 -5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.111 6.590 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.731 5.758 -2.943 1.00 0.00 H new ATOM 562 N LYS A 40 2.927 4.123 -3.086 1.00 0.00 N ATOM 563 CA LYS A 40 3.664 2.868 -3.166 1.00 0.00 C ATOM 564 C LYS A 40 3.881 2.275 -1.777 1.00 0.00 C ATOM 565 O LYS A 40 4.492 2.903 -0.912 1.00 0.00 O ATOM 566 CB LYS A 40 5.013 3.087 -3.855 1.00 0.00 C ATOM 567 CG LYS A 40 5.754 1.799 -4.166 1.00 0.00 C ATOM 568 CD LYS A 40 7.106 2.073 -4.803 1.00 0.00 C ATOM 569 CE LYS A 40 8.125 2.534 -3.772 1.00 0.00 C ATOM 570 NZ LYS A 40 9.522 2.303 -4.232 1.00 0.00 N ATOM 0 H LYS A 40 3.131 4.679 -2.256 1.00 0.00 H new ATOM 0 HA LYS A 40 3.073 2.166 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.853 3.637 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.639 3.712 -3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.892 1.227 -3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.153 1.185 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.467 1.170 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.998 2.835 -5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.981 3.595 -3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.959 2.003 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.186 2.630 -3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.668 1.288 -4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.689 2.830 -5.113 1.00 0.00 H new ATOM 584 N VAL A 41 3.378 1.062 -1.571 1.00 0.00 N ATOM 585 CA VAL A 41 3.520 0.384 -0.288 1.00 0.00 C ATOM 586 C VAL A 41 4.972 0.002 -0.026 1.00 0.00 C ATOM 587 O VAL A 41 5.425 -1.072 -0.425 1.00 0.00 O ATOM 588 CB VAL A 41 2.647 -0.884 -0.224 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.945 -1.797 -1.403 1.00 0.00 C ATOM 590 CG2 VAL A 41 2.863 -1.613 1.093 1.00 0.00 C ATOM 0 H VAL A 41 2.869 0.529 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 41 3.188 1.084 0.479 1.00 0.00 H new ATOM 0 HB VAL A 41 1.600 -0.587 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.319 -2.687 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.735 -1.270 -2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.995 -2.089 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.239 -2.506 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.911 -1.900 1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.595 -0.956 1.921 1.00 0.00 H new ATOM 600 N LEU A 42 5.698 0.886 0.648 1.00 0.00 N ATOM 601 CA LEU A 42 7.101 0.642 0.966 1.00 0.00 C ATOM 602 C LEU A 42 7.287 -0.742 1.579 1.00 0.00 C ATOM 603 O LEU A 42 8.037 -1.567 1.057 1.00 0.00 O ATOM 604 CB LEU A 42 7.621 1.712 1.927 1.00 0.00 C ATOM 605 CG LEU A 42 7.874 3.093 1.320 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.705 3.947 2.265 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.562 2.965 -0.031 1.00 0.00 C ATOM 0 H LEU A 42 5.339 1.779 0.985 1.00 0.00 H new ATOM 0 HA LEU A 42 7.671 0.688 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.904 1.821 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.552 1.355 2.368 1.00 0.00 H new ATOM 0 HG LEU A 42 6.913 3.584 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.875 4.926 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.173 4.068 3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.663 3.460 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.734 3.958 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.517 2.454 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.929 2.392 -0.709 1.00 0.00 H new ATOM 619 N SER A 43 6.599 -0.990 2.688 1.00 0.00 N ATOM 620 CA SER A 43 6.690 -2.274 3.374 1.00 0.00 C ATOM 621 C SER A 43 5.471 -2.502 4.263 1.00 0.00 C ATOM 622 O SER A 43 4.681 -1.588 4.499 1.00 0.00 O ATOM 623 CB SER A 43 7.967 -2.338 4.214 1.00 0.00 C ATOM 624 OG SER A 43 9.082 -2.700 3.418 1.00 0.00 O ATOM 0 H SER A 43 5.972 -0.319 3.131 1.00 0.00 H new ATOM 0 HA SER A 43 6.720 -3.060 2.619 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.148 -1.370 4.681 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.841 -3.062 5.019 1.00 0.00 H new ATOM 0 HG SER A 43 8.926 -2.423 2.491 1.00 0.00 H new ATOM 630 N ILE A 44 5.326 -3.729 4.753 1.00 0.00 N ATOM 631 CA ILE A 44 4.205 -4.078 5.616 1.00 0.00 C ATOM 632 C ILE A 44 4.670 -4.892 6.819 1.00 0.00 C ATOM 633 O ILE A 44 4.994 -6.074 6.695 1.00 0.00 O ATOM 634 CB ILE A 44 3.133 -4.878 4.852 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.555 -4.038 3.712 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.030 -5.326 5.800 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.097 -4.860 2.528 1.00 0.00 C ATOM 0 H ILE A 44 5.971 -4.497 4.567 1.00 0.00 H new ATOM 0 HA ILE A 44 3.769 -3.140 5.961 1.00 0.00 H new ATOM 0 HB ILE A 44 3.599 -5.765 4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.712 -3.459 4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.309 -3.325 3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.280 -5.890 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.455 -5.957 6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.564 -4.452 6.255 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.699 -4.199 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.941 -5.419 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.320 -5.555 2.846 1.00 0.00 H new ATOM 649 N THR A 45 4.699 -4.253 7.984 1.00 0.00 N ATOM 650 CA THR A 45 5.124 -4.917 9.210 1.00 0.00 C ATOM 651 C THR A 45 3.929 -5.253 10.096 1.00 0.00 C ATOM 652 O THR A 45 3.082 -4.401 10.362 1.00 0.00 O ATOM 653 CB THR A 45 6.111 -4.046 10.008 1.00 0.00 C ATOM 654 OG1 THR A 45 5.421 -2.937 10.597 1.00 0.00 O ATOM 655 CG2 THR A 45 7.229 -3.535 9.112 1.00 0.00 C ATOM 0 H THR A 45 4.433 -3.276 8.104 1.00 0.00 H new ATOM 0 HA THR A 45 5.624 -5.839 8.913 1.00 0.00 H new ATOM 0 HB THR A 45 6.549 -4.661 10.794 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.461 -3.132 10.636 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.914 -2.922 9.698 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.771 -4.381 8.688 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.805 -2.936 8.307 1.00 0.00 H new ATOM 663 N GLY A 46 3.868 -6.501 10.551 1.00 0.00 N ATOM 664 CA GLY A 46 2.772 -6.927 11.403 1.00 0.00 C ATOM 665 C GLY A 46 1.428 -6.431 10.909 1.00 0.00 C ATOM 666 O GLY A 46 1.125 -6.519 9.719 1.00 0.00 O ATOM 0 H GLY A 46 4.557 -7.224 10.345 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.758 -8.016 11.454 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.940 -6.562 12.416 1.00 0.00 H new ATOM 670 N CYS A 47 0.619 -5.911 11.825 1.00 0.00 N ATOM 671 CA CYS A 47 -0.703 -5.401 11.477 1.00 0.00 C ATOM 672 C CYS A 47 -0.625 -3.944 11.035 1.00 0.00 C ATOM 673 O CYS A 47 -1.598 -3.197 11.148 1.00 0.00 O ATOM 674 CB CYS A 47 -1.654 -5.536 12.667 1.00 0.00 C ATOM 675 SG CYS A 47 -1.017 -4.829 14.205 1.00 0.00 S ATOM 0 H CYS A 47 0.855 -5.831 12.814 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.086 -5.993 10.646 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.598 -5.051 12.420 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.870 -6.592 12.827 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.781 -3.562 14.035 1.00 0.00 H new ATOM 681 N SER A 48 0.539 -3.544 10.534 1.00 0.00 N ATOM 682 CA SER A 48 0.747 -2.174 10.080 1.00 0.00 C ATOM 683 C SER A 48 1.462 -2.150 8.733 1.00 0.00 C ATOM 684 O SER A 48 2.039 -3.150 8.307 1.00 0.00 O ATOM 685 CB SER A 48 1.555 -1.389 11.114 1.00 0.00 C ATOM 686 OG SER A 48 2.796 -2.021 11.379 1.00 0.00 O ATOM 0 H SER A 48 1.353 -4.150 10.432 1.00 0.00 H new ATOM 0 HA SER A 48 -0.230 -1.705 9.961 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.729 -0.376 10.751 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.983 -1.302 12.038 1.00 0.00 H new ATOM 0 HG SER A 48 2.692 -2.992 11.298 1.00 0.00 H new ATOM 692 N ALA A 49 1.420 -1.000 8.068 1.00 0.00 N ATOM 693 CA ALA A 49 2.066 -0.844 6.771 1.00 0.00 C ATOM 694 C ALA A 49 2.570 0.582 6.576 1.00 0.00 C ATOM 695 O ALA A 49 2.197 1.489 7.321 1.00 0.00 O ATOM 696 CB ALA A 49 1.105 -1.223 5.654 1.00 0.00 C ATOM 0 H ALA A 49 0.945 -0.163 8.406 1.00 0.00 H new ATOM 0 HA ALA A 49 2.926 -1.513 6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.601 -1.102 4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.797 -2.262 5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.228 -0.578 5.694 1.00 0.00 H new ATOM 702 N ILE A 50 3.421 0.772 5.573 1.00 0.00 N ATOM 703 CA ILE A 50 3.975 2.088 5.282 1.00 0.00 C ATOM 704 C ILE A 50 4.049 2.333 3.779 1.00 0.00 C ATOM 705 O ILE A 50 4.663 1.560 3.042 1.00 0.00 O ATOM 706 CB ILE A 50 5.382 2.253 5.888 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.325 2.111 7.410 1.00 0.00 C ATOM 708 CG2 ILE A 50 5.972 3.600 5.498 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.684 1.939 8.052 1.00 0.00 C ATOM 0 H ILE A 50 3.741 0.032 4.949 1.00 0.00 H new ATOM 0 HA ILE A 50 3.305 2.820 5.734 1.00 0.00 H new ATOM 0 HB ILE A 50 6.026 1.468 5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.842 2.993 7.831 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.701 1.254 7.664 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.966 3.702 5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.043 3.665 4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.330 4.399 5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.567 1.845 9.132 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.161 1.041 7.659 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.304 2.807 7.829 1.00 0.00 H new ATOM 721 N LEU A 51 3.422 3.415 3.330 1.00 0.00 N ATOM 722 CA LEU A 51 3.418 3.764 1.913 1.00 0.00 C ATOM 723 C LEU A 51 4.219 5.039 1.665 1.00 0.00 C ATOM 724 O LEU A 51 4.461 5.821 2.584 1.00 0.00 O ATOM 725 CB LEU A 51 1.983 3.945 1.416 1.00 0.00 C ATOM 726 CG LEU A 51 1.062 2.734 1.572 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.350 2.775 2.915 1.00 0.00 C ATOM 728 CD2 LEU A 51 0.054 2.681 0.433 1.00 0.00 C ATOM 0 H LEU A 51 2.910 4.065 3.926 1.00 0.00 H new ATOM 0 HA LEU A 51 3.886 2.949 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.538 4.786 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.016 4.218 0.361 1.00 0.00 H new ATOM 0 HG LEU A 51 1.671 1.831 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.301 1.906 3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.087 2.764 3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.247 3.684 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.593 1.813 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.550 3.588 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.582 2.604 -0.517 1.00 0.00 H new ATOM 740 N ARG A 52 4.625 5.242 0.416 1.00 0.00 N ATOM 741 CA ARG A 52 5.397 6.422 0.046 1.00 0.00 C ATOM 742 C ARG A 52 4.682 7.221 -1.040 1.00 0.00 C ATOM 743 O ARG A 52 4.516 6.749 -2.165 1.00 0.00 O ATOM 744 CB ARG A 52 6.790 6.015 -0.439 1.00 0.00 C ATOM 745 CG ARG A 52 7.581 7.160 -1.050 1.00 0.00 C ATOM 746 CD ARG A 52 8.408 7.887 -0.001 1.00 0.00 C ATOM 747 NE ARG A 52 9.451 8.714 -0.602 1.00 0.00 N ATOM 748 CZ ARG A 52 10.515 9.151 0.061 1.00 0.00 C ATOM 749 NH1 ARG A 52 10.677 8.842 1.340 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.421 9.899 -0.556 1.00 0.00 N ATOM 0 H ARG A 52 4.432 4.605 -0.357 1.00 0.00 H new ATOM 0 HA ARG A 52 5.497 7.052 0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.352 5.604 0.400 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.690 5.219 -1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.238 6.775 -1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.897 7.862 -1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.754 8.513 0.606 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.864 7.159 0.669 1.00 0.00 H new ATOM 0 HE ARG A 52 9.357 8.970 -1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.983 8.267 1.818 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.496 9.179 1.846 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.300 10.138 -1.540 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.238 10.234 -0.046 1.00 0.00 H new ATOM 764 N PHE A 53 4.261 8.433 -0.694 1.00 0.00 N ATOM 765 CA PHE A 53 3.562 9.297 -1.639 1.00 0.00 C ATOM 766 C PHE A 53 4.451 10.459 -2.073 1.00 0.00 C ATOM 767 O PHE A 53 5.324 10.899 -1.325 1.00 0.00 O ATOM 768 CB PHE A 53 2.272 9.833 -1.014 1.00 0.00 C ATOM 769 CG PHE A 53 1.239 8.771 -0.768 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.316 7.957 0.351 1.00 0.00 C ATOM 771 CD2 PHE A 53 0.191 8.587 -1.655 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.367 6.979 0.581 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.761 7.611 -1.430 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.672 6.805 -0.312 1.00 0.00 C ATOM 0 H PHE A 53 4.391 8.839 0.233 1.00 0.00 H new ATOM 0 HA PHE A 53 3.312 8.705 -2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.511 10.322 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.849 10.595 -1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.127 8.089 1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.117 9.213 -2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.438 6.352 1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.574 7.479 -2.128 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.414 6.040 -0.136 1.00 0.00 H new ATOM 784 N ILE A 54 4.222 10.950 -3.286 1.00 0.00 N ATOM 785 CA ILE A 54 5.001 12.060 -3.820 1.00 0.00 C ATOM 786 C ILE A 54 4.791 13.326 -2.996 1.00 0.00 C ATOM 787 O ILE A 54 5.718 14.109 -2.795 1.00 0.00 O ATOM 788 CB ILE A 54 4.635 12.350 -5.288 1.00 0.00 C ATOM 789 CG1 ILE A 54 5.281 13.659 -5.748 1.00 0.00 C ATOM 790 CG2 ILE A 54 3.124 12.411 -5.455 1.00 0.00 C ATOM 791 CD1 ILE A 54 5.627 13.676 -7.220 1.00 0.00 C ATOM 0 H ILE A 54 3.503 10.597 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 54 6.049 11.764 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 54 5.017 11.540 -5.910 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.603 14.485 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.188 13.831 -5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.881 12.617 -6.498 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.687 11.457 -5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.720 13.204 -4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.081 14.633 -7.476 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.329 12.872 -7.438 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.720 13.535 -7.809 1.00 0.00 H new ATOM 803 N ASN A 55 3.565 13.518 -2.519 1.00 0.00 N ATOM 804 CA ASN A 55 3.233 14.688 -1.715 1.00 0.00 C ATOM 805 C ASN A 55 2.051 14.398 -0.795 1.00 0.00 C ATOM 806 O ASN A 55 1.450 13.326 -0.860 1.00 0.00 O ATOM 807 CB ASN A 55 2.910 15.879 -2.619 1.00 0.00 C ATOM 808 CG ASN A 55 1.855 15.548 -3.657 1.00 0.00 C ATOM 809 OD1 ASN A 55 0.743 15.141 -3.320 1.00 0.00 O ATOM 810 ND2 ASN A 55 2.200 15.721 -4.927 1.00 0.00 N ATOM 0 H ASN A 55 2.786 12.879 -2.675 1.00 0.00 H new ATOM 0 HA ASN A 55 4.099 14.932 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.565 16.713 -2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.820 16.207 -3.122 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.532 15.514 -5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.133 16.061 -5.160 1.00 0.00 H new ATOM 817 N GLN A 56 1.723 15.361 0.060 1.00 0.00 N ATOM 818 CA GLN A 56 0.613 15.209 0.993 1.00 0.00 C ATOM 819 C GLN A 56 -0.677 14.870 0.254 1.00 0.00 C ATOM 820 O GLN A 56 -1.219 13.775 0.401 1.00 0.00 O ATOM 821 CB GLN A 56 0.426 16.489 1.810 1.00 0.00 C ATOM 822 CG GLN A 56 -0.648 16.376 2.880 1.00 0.00 C ATOM 823 CD GLN A 56 -0.104 15.874 4.202 1.00 0.00 C ATOM 824 OE1 GLN A 56 0.029 14.558 4.327 1.00 0.00 O flip ATOM 825 NE2 GLN A 56 0.194 16.659 5.103 1.00 0.00 N flip ATOM 0 H GLN A 56 2.210 16.255 0.126 1.00 0.00 H new ATOM 0 HA GLN A 56 0.850 14.387 1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.373 16.750 2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.171 17.307 1.136 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.111 17.351 3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.431 15.701 2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.076 17.663 4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.559 16.305 5.987 1.00 0.00 H new ATOM 834 N ASP A 57 -1.164 15.817 -0.541 1.00 0.00 N ATOM 835 CA ASP A 57 -2.390 15.619 -1.305 1.00 0.00 C ATOM 836 C ASP A 57 -2.528 14.165 -1.744 1.00 0.00 C ATOM 837 O ASP A 57 -3.495 13.489 -1.393 1.00 0.00 O ATOM 838 CB ASP A 57 -2.409 16.538 -2.527 1.00 0.00 C ATOM 839 CG ASP A 57 -3.817 16.885 -2.969 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.433 17.774 -2.345 1.00 0.00 O ATOM 841 OD2 ASP A 57 -4.302 16.268 -3.940 1.00 0.00 O ATOM 0 H ASP A 57 -0.728 16.730 -0.673 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.234 15.867 -0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.867 17.455 -2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.882 16.055 -3.350 1.00 0.00 H new ATOM 846 N SER A 58 -1.555 13.690 -2.514 1.00 0.00 N ATOM 847 CA SER A 58 -1.570 12.317 -3.005 1.00 0.00 C ATOM 848 C SER A 58 -1.798 11.333 -1.862 1.00 0.00 C ATOM 849 O SER A 58 -2.554 10.372 -1.997 1.00 0.00 O ATOM 850 CB SER A 58 -0.255 11.993 -3.717 1.00 0.00 C ATOM 851 OG SER A 58 -0.324 12.327 -5.093 1.00 0.00 O ATOM 0 H SER A 58 -0.746 14.235 -2.812 1.00 0.00 H new ATOM 0 HA SER A 58 -2.392 12.220 -3.714 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.561 12.541 -3.247 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.031 10.932 -3.608 1.00 0.00 H new ATOM 0 HG SER A 58 0.462 11.969 -5.556 1.00 0.00 H new ATOM 857 N ALA A 59 -1.137 11.582 -0.735 1.00 0.00 N ATOM 858 CA ALA A 59 -1.269 10.720 0.433 1.00 0.00 C ATOM 859 C ALA A 59 -2.674 10.801 1.020 1.00 0.00 C ATOM 860 O ALA A 59 -3.294 9.779 1.312 1.00 0.00 O ATOM 861 CB ALA A 59 -0.233 11.094 1.484 1.00 0.00 C ATOM 0 H ALA A 59 -0.506 12.373 -0.607 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.095 9.692 0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.343 10.443 2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.767 10.977 1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.381 12.130 1.788 1.00 0.00 H new ATOM 867 N GLU A 60 -3.169 12.023 1.190 1.00 0.00 N ATOM 868 CA GLU A 60 -4.501 12.236 1.744 1.00 0.00 C ATOM 869 C GLU A 60 -5.530 11.353 1.043 1.00 0.00 C ATOM 870 O GLU A 60 -6.143 10.484 1.663 1.00 0.00 O ATOM 871 CB GLU A 60 -4.903 13.706 1.615 1.00 0.00 C ATOM 872 CG GLU A 60 -3.953 14.661 2.319 1.00 0.00 C ATOM 873 CD GLU A 60 -4.645 15.920 2.804 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.486 16.462 2.057 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.345 16.363 3.933 1.00 0.00 O ATOM 0 H GLU A 60 -2.668 12.879 0.952 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.474 11.966 2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.952 13.969 0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.905 13.837 2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.495 14.153 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.147 14.933 1.638 1.00 0.00 H new ATOM 882 N ARG A 61 -5.712 11.582 -0.253 1.00 0.00 N ATOM 883 CA ARG A 61 -6.667 10.809 -1.039 1.00 0.00 C ATOM 884 C ARG A 61 -6.585 9.326 -0.688 1.00 0.00 C ATOM 885 O ARG A 61 -7.580 8.605 -0.763 1.00 0.00 O ATOM 886 CB ARG A 61 -6.407 11.006 -2.533 1.00 0.00 C ATOM 887 CG ARG A 61 -6.377 12.465 -2.959 1.00 0.00 C ATOM 888 CD ARG A 61 -6.076 12.606 -4.443 1.00 0.00 C ATOM 889 NE ARG A 61 -6.708 13.790 -5.020 1.00 0.00 N ATOM 890 CZ ARG A 61 -6.294 14.372 -6.140 1.00 0.00 C ATOM 891 NH1 ARG A 61 -5.254 13.882 -6.800 1.00 0.00 N ATOM 892 NH2 ARG A 61 -6.920 15.447 -6.601 1.00 0.00 N ATOM 0 H ARG A 61 -5.211 12.296 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.669 11.166 -0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.456 10.541 -2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.180 10.487 -3.099 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.337 12.930 -2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.622 12.998 -2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.997 12.663 -4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.423 11.717 -4.969 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.511 14.192 -4.536 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.770 13.056 -6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.938 14.331 -7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.720 15.827 -6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.601 15.893 -7.461 1.00 0.00 H new ATOM 906 N ALA A 62 -5.393 8.879 -0.307 1.00 0.00 N ATOM 907 CA ALA A 62 -5.182 7.483 0.056 1.00 0.00 C ATOM 908 C ALA A 62 -5.498 7.245 1.529 1.00 0.00 C ATOM 909 O ALA A 62 -5.942 6.162 1.910 1.00 0.00 O ATOM 910 CB ALA A 62 -3.751 7.068 -0.252 1.00 0.00 C ATOM 0 H ALA A 62 -4.559 9.463 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.862 6.872 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.608 6.023 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.558 7.192 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.061 7.691 0.317 1.00 0.00 H new ATOM 916 N GLN A 63 -5.266 8.263 2.351 1.00 0.00 N ATOM 917 CA GLN A 63 -5.525 8.162 3.783 1.00 0.00 C ATOM 918 C GLN A 63 -7.016 8.286 4.076 1.00 0.00 C ATOM 919 O GLN A 63 -7.503 7.791 5.093 1.00 0.00 O ATOM 920 CB GLN A 63 -4.753 9.244 4.539 1.00 0.00 C ATOM 921 CG GLN A 63 -4.801 9.082 6.050 1.00 0.00 C ATOM 922 CD GLN A 63 -5.971 9.813 6.679 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.708 10.529 5.999 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.148 9.637 7.983 1.00 0.00 N ATOM 0 H GLN A 63 -4.900 9.166 2.051 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.187 7.182 4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.713 9.231 4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.158 10.220 4.273 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.865 8.022 6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.871 9.454 6.481 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.513 9.035 8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.919 10.104 8.461 1.00 0.00 H new ATOM 933 N LYS A 64 -7.738 8.949 3.179 1.00 0.00 N ATOM 934 CA LYS A 64 -9.175 9.138 3.339 1.00 0.00 C ATOM 935 C LYS A 64 -9.949 7.982 2.713 1.00 0.00 C ATOM 936 O LYS A 64 -11.109 7.745 3.049 1.00 0.00 O ATOM 937 CB LYS A 64 -9.610 10.460 2.705 1.00 0.00 C ATOM 938 CG LYS A 64 -9.433 10.499 1.197 1.00 0.00 C ATOM 939 CD LYS A 64 -10.667 9.982 0.477 1.00 0.00 C ATOM 940 CE LYS A 64 -11.711 11.074 0.304 1.00 0.00 C ATOM 941 NZ LYS A 64 -12.690 10.741 -0.768 1.00 0.00 N ATOM 0 H LYS A 64 -7.351 9.365 2.332 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.396 9.164 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.658 10.640 2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.037 11.273 3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.228 11.522 0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.568 9.898 0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.382 9.592 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.096 9.153 1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.240 11.223 1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.216 12.015 0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.385 11.510 -0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.189 10.624 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.181 9.856 -0.527 1.00 0.00 H new ATOM 955 N ARG A 65 -9.299 7.265 1.802 1.00 0.00 N ATOM 956 CA ARG A 65 -9.926 6.134 1.129 1.00 0.00 C ATOM 957 C ARG A 65 -9.603 4.827 1.847 1.00 0.00 C ATOM 958 O ARG A 65 -10.416 3.904 1.871 1.00 0.00 O ATOM 959 CB ARG A 65 -9.461 6.057 -0.326 1.00 0.00 C ATOM 960 CG ARG A 65 -8.230 5.190 -0.527 1.00 0.00 C ATOM 961 CD ARG A 65 -8.603 3.727 -0.713 1.00 0.00 C ATOM 962 NE ARG A 65 -8.979 3.429 -2.092 1.00 0.00 N ATOM 963 CZ ARG A 65 -10.233 3.438 -2.530 1.00 0.00 C ATOM 964 NH1 ARG A 65 -11.226 3.730 -1.701 1.00 0.00 N ATOM 965 NH2 ARG A 65 -10.496 3.156 -3.800 1.00 0.00 N ATOM 0 H ARG A 65 -8.338 7.448 1.513 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.005 6.284 1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.274 5.666 -0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.248 7.064 -0.684 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.676 5.539 -1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.568 5.291 0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.761 3.099 -0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.431 3.477 -0.049 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.238 3.201 -2.755 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.028 3.948 -0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.188 3.736 -2.040 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.735 2.932 -4.441 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.459 3.163 -4.135 1.00 0.00 H new ATOM 979 N MET A 66 -8.412 4.758 2.431 1.00 0.00 N ATOM 980 CA MET A 66 -7.982 3.564 3.150 1.00 0.00 C ATOM 981 C MET A 66 -8.650 3.484 4.519 1.00 0.00 C ATOM 982 O MET A 66 -9.163 2.435 4.909 1.00 0.00 O ATOM 983 CB MET A 66 -6.461 3.559 3.311 1.00 0.00 C ATOM 984 CG MET A 66 -5.721 3.044 2.087 1.00 0.00 C ATOM 985 SD MET A 66 -4.023 2.561 2.454 1.00 0.00 S ATOM 986 CE MET A 66 -3.120 3.620 1.327 1.00 0.00 C ATOM 0 H MET A 66 -7.727 5.514 2.421 1.00 0.00 H new ATOM 0 HA MET A 66 -8.281 2.692 2.568 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.124 4.572 3.529 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.197 2.943 4.171 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.257 2.188 1.676 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.717 3.817 1.318 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.264 4.055 1.843 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.771 3.033 0.477 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.774 4.417 0.974 1.00 0.00 H new ATOM 996 N GLU A 67 -8.640 4.599 5.244 1.00 0.00 N ATOM 997 CA GLU A 67 -9.245 4.652 6.570 1.00 0.00 C ATOM 998 C GLU A 67 -10.643 4.041 6.555 1.00 0.00 C ATOM 999 O GLU A 67 -11.098 3.483 7.553 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.313 6.099 7.065 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.306 6.957 6.300 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.610 8.265 7.004 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -9.869 9.246 6.782 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.589 8.308 7.778 1.00 0.00 O ATOM 0 H GLU A 67 -8.220 5.476 4.936 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.622 4.071 7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.582 6.101 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.323 6.548 6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.909 7.167 5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.232 6.399 6.162 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.319 4.152 5.417 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.666 3.612 5.272 1.00 0.00 C ATOM 1013 C ASN A 68 -12.628 2.211 4.669 1.00 0.00 C ATOM 1014 O ASN A 68 -13.403 1.337 5.057 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.516 4.534 4.395 1.00 0.00 C ATOM 1016 CG ASN A 68 -13.665 5.921 4.989 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.344 6.921 4.348 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -14.155 5.987 6.222 1.00 0.00 N ATOM 0 H ASN A 68 -10.956 4.611 4.581 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.114 3.550 6.264 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.062 4.612 3.407 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.503 4.092 4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.278 6.893 6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.408 5.132 6.717 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.721 2.005 3.719 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.583 0.711 3.063 1.00 0.00 C ATOM 1027 C GLU A 69 -11.240 -0.378 4.076 1.00 0.00 C ATOM 1028 O GLU A 69 -11.028 -0.099 5.256 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.503 0.775 1.982 1.00 0.00 C ATOM 1030 CG GLU A 69 -11.047 1.073 0.595 1.00 0.00 C ATOM 1031 CD GLU A 69 -12.285 0.261 0.267 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.222 -0.983 0.361 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -13.318 0.870 -0.083 1.00 0.00 O ATOM 0 H GLU A 69 -11.071 2.718 3.387 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.538 0.464 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.777 1.542 2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.969 -0.175 1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.283 2.135 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.275 0.867 -0.146 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.188 -1.620 3.606 1.00 0.00 N ATOM 1041 CA ASP A 70 -10.870 -2.752 4.469 1.00 0.00 C ATOM 1042 C ASP A 70 -10.184 -3.861 3.679 1.00 0.00 C ATOM 1043 O ASP A 70 -10.807 -4.526 2.851 1.00 0.00 O ATOM 1044 CB ASP A 70 -12.141 -3.289 5.128 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.304 -3.376 4.160 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -14.048 -2.381 4.034 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -13.470 -4.439 3.526 1.00 0.00 O ATOM 0 H ASP A 70 -11.362 -1.868 2.632 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.186 -2.407 5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.942 -4.278 5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.414 -2.643 5.962 1.00 0.00 H new ATOM 1052 N VAL A 71 -8.895 -4.056 3.940 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.123 -5.085 3.253 1.00 0.00 C ATOM 1054 C VAL A 71 -8.973 -6.321 2.982 1.00 0.00 C ATOM 1055 O VAL A 71 -9.083 -6.775 1.843 1.00 0.00 O ATOM 1056 CB VAL A 71 -6.884 -5.497 4.072 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -6.222 -6.721 3.458 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -5.901 -4.340 4.168 1.00 0.00 C ATOM 0 H VAL A 71 -8.364 -3.515 4.622 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.798 -4.657 2.305 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.205 -5.755 5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.349 -6.998 4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.930 -7.550 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.912 -6.494 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.032 -4.648 4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.583 -4.049 3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.383 -3.493 4.656 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.575 -6.861 4.037 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.416 -8.046 3.913 1.00 0.00 C ATOM 1070 C PHE A 72 -11.355 -8.174 5.110 1.00 0.00 C ATOM 1071 O PHE A 72 -10.935 -8.548 6.204 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.551 -9.302 3.793 1.00 0.00 C ATOM 1073 CG PHE A 72 -9.034 -9.543 2.404 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.904 -9.851 1.370 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.678 -9.462 2.131 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.432 -10.073 0.090 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -7.200 -9.682 0.853 1.00 0.00 C ATOM 1078 CZ PHE A 72 -8.078 -9.989 -0.168 1.00 0.00 C ATOM 0 H PHE A 72 -9.496 -6.497 4.987 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.018 -7.941 3.010 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.706 -9.219 4.477 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -10.134 -10.167 4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.964 -9.918 1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.987 -9.224 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.121 -10.312 -0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.141 -9.614 0.653 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.706 -10.163 -1.167 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.628 -7.859 4.893 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.606 -7.945 5.961 1.00 0.00 C ATOM 1090 C GLY A 73 -13.097 -7.355 7.262 1.00 0.00 C ATOM 1091 O GLY A 73 -13.471 -7.806 8.343 1.00 0.00 O ATOM 0 H GLY A 73 -12.999 -7.546 3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.515 -7.424 5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.875 -8.989 6.120 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.240 -6.345 7.156 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.676 -5.694 8.333 1.00 0.00 C ATOM 1097 C ASN A 74 -11.267 -4.259 8.018 1.00 0.00 C ATOM 1098 O ASN A 74 -10.463 -4.015 7.118 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.468 -6.480 8.847 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.164 -5.997 8.241 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -8.904 -6.202 7.056 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.338 -5.350 9.056 1.00 0.00 N ATOM 0 H ASN A 74 -11.921 -5.959 6.267 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.443 -5.672 9.107 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.416 -6.392 9.932 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.602 -7.537 8.619 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.446 -5.000 8.706 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.596 -5.203 10.032 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.825 -3.312 8.766 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.519 -1.901 8.566 1.00 0.00 C ATOM 1111 C ARG A 75 -10.077 -1.596 8.962 1.00 0.00 C ATOM 1112 O ARG A 75 -9.569 -2.128 9.950 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.478 -1.029 9.379 1.00 0.00 C ATOM 1114 CG ARG A 75 -13.732 -0.631 8.619 1.00 0.00 C ATOM 1115 CD ARG A 75 -14.588 0.334 9.425 1.00 0.00 C ATOM 1116 NE ARG A 75 -16.009 0.192 9.118 1.00 0.00 N ATOM 1117 CZ ARG A 75 -16.946 1.012 9.579 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -16.615 2.028 10.363 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -18.218 0.817 9.255 1.00 0.00 N ATOM 0 H ARG A 75 -12.491 -3.497 9.516 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.642 -1.675 7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.766 -1.566 10.283 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.955 -0.127 9.697 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.454 -0.169 7.672 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.313 -1.522 8.380 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.428 0.159 10.489 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.273 1.357 9.219 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.297 -0.580 8.516 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.638 2.182 10.614 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.337 2.656 10.716 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -18.477 0.037 8.651 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.937 1.448 9.610 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.425 -0.739 8.185 1.00 0.00 N ATOM 1134 CA ILE A 76 -8.042 -0.363 8.455 1.00 0.00 C ATOM 1135 C ILE A 76 -7.942 1.098 8.878 1.00 0.00 C ATOM 1136 O ILE A 76 -8.813 1.908 8.558 1.00 0.00 O ATOM 1137 CB ILE A 76 -7.146 -0.592 7.223 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.797 0.003 5.974 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -6.879 -2.078 7.031 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.929 -0.088 4.738 1.00 0.00 C ATOM 0 H ILE A 76 -9.831 -0.291 7.363 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.695 -0.999 9.270 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.193 -0.090 7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.739 -0.512 5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.038 1.049 6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.245 -2.224 6.157 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.377 -2.475 7.914 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.824 -2.602 6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.454 0.353 3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.997 0.451 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.709 -1.134 4.524 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.874 1.428 9.596 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.659 2.793 10.060 1.00 0.00 C ATOM 1154 C ILE A 77 -5.389 3.385 9.458 1.00 0.00 C ATOM 1155 O ILE A 77 -4.294 2.854 9.645 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.563 2.857 11.596 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.793 2.207 12.233 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.421 4.300 12.059 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.596 1.836 13.687 1.00 0.00 C ATOM 0 H ILE A 77 -6.145 0.769 9.869 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.520 3.376 9.733 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.678 2.305 11.913 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.638 2.891 12.152 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.053 1.311 11.670 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.354 4.328 13.147 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.518 4.733 11.629 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.289 4.874 11.734 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.508 1.380 14.073 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.772 1.128 13.773 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.366 2.732 14.263 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.543 4.490 8.735 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.408 5.156 8.107 1.00 0.00 C ATOM 1173 C VAL A 78 -4.121 6.497 8.773 1.00 0.00 C ATOM 1174 O VAL A 78 -5.006 7.344 8.893 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.653 5.384 6.603 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.396 5.919 5.933 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.115 4.096 5.938 1.00 0.00 C ATOM 0 H VAL A 78 -6.442 4.943 8.570 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.547 4.500 8.232 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.441 6.128 6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.588 6.074 4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.114 6.866 6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.585 5.201 6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.283 4.275 4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.350 3.329 6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.043 3.760 6.401 1.00 0.00 H new ATOM 1187 N SER A 79 -2.878 6.684 9.204 1.00 0.00 N ATOM 1188 CA SER A 79 -2.474 7.921 9.861 1.00 0.00 C ATOM 1189 C SER A 79 -1.139 8.417 9.313 1.00 0.00 C ATOM 1190 O SER A 79 -0.337 7.637 8.799 1.00 0.00 O ATOM 1191 CB SER A 79 -2.370 7.710 11.373 1.00 0.00 C ATOM 1192 OG SER A 79 -2.707 8.893 12.077 1.00 0.00 O ATOM 0 H SER A 79 -2.133 5.994 9.110 1.00 0.00 H new ATOM 0 HA SER A 79 -3.234 8.676 9.658 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.034 6.901 11.677 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.356 7.405 11.632 1.00 0.00 H new ATOM 0 HG SER A 79 -2.635 8.732 13.041 1.00 0.00 H new ATOM 1198 N PHE A 80 -0.909 9.721 9.425 1.00 0.00 N ATOM 1199 CA PHE A 80 0.327 10.324 8.940 1.00 0.00 C ATOM 1200 C PHE A 80 1.437 10.202 9.981 1.00 0.00 C ATOM 1201 O PHE A 80 2.622 10.282 9.655 1.00 0.00 O ATOM 1202 CB PHE A 80 0.100 11.796 8.591 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.569 12.000 7.261 1.00 0.00 C ATOM 1204 CD1 PHE A 80 0.077 11.653 6.085 1.00 0.00 C ATOM 1205 CD2 PHE A 80 -1.843 12.539 7.187 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -0.536 11.839 4.860 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -2.461 12.727 5.965 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.806 12.378 4.801 1.00 0.00 C ATOM 0 H PHE A 80 -1.562 10.381 9.847 1.00 0.00 H new ATOM 0 HA PHE A 80 0.634 9.788 8.042 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.509 12.256 9.369 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.060 12.313 8.589 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.071 11.232 6.126 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.359 12.815 8.094 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.023 11.563 3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.455 13.146 5.921 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.286 12.526 3.845 1.00 0.00 H new ATOM 1218 N THR A 81 1.044 10.009 11.236 1.00 0.00 N ATOM 1219 CA THR A 81 2.003 9.878 12.326 1.00 0.00 C ATOM 1220 C THR A 81 2.002 8.462 12.892 1.00 0.00 C ATOM 1221 O THR A 81 1.023 7.724 12.780 1.00 0.00 O ATOM 1222 CB THR A 81 1.702 10.873 13.462 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.294 10.908 13.723 1.00 0.00 O ATOM 1224 CG2 THR A 81 2.190 12.268 13.102 1.00 0.00 C ATOM 0 H THR A 81 0.068 9.940 11.523 1.00 0.00 H new ATOM 0 HA THR A 81 2.986 10.100 11.910 1.00 0.00 H new ATOM 0 HB THR A 81 2.229 10.540 14.356 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.111 11.542 14.448 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.967 12.954 13.919 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.266 12.244 12.932 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.687 12.607 12.196 1.00 0.00 H new ATOM 1232 N PRO A 82 3.123 8.073 13.517 1.00 0.00 N ATOM 1233 CA PRO A 82 3.275 6.744 14.114 1.00 0.00 C ATOM 1234 C PRO A 82 2.406 6.562 15.354 1.00 0.00 C ATOM 1235 O PRO A 82 1.921 7.534 15.933 1.00 0.00 O ATOM 1236 CB PRO A 82 4.758 6.691 14.490 1.00 0.00 C ATOM 1237 CG PRO A 82 5.155 8.116 14.668 1.00 0.00 C ATOM 1238 CD PRO A 82 4.328 8.902 13.688 1.00 0.00 C ATOM 0 HA PRO A 82 2.965 5.953 13.431 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.914 6.119 15.405 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.347 6.210 13.709 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.970 8.448 15.690 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.220 8.251 14.477 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.083 9.892 14.072 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.853 9.047 12.744 1.00 0.00 H new ATOM 1246 N LYS A 83 2.211 5.311 15.756 1.00 0.00 N ATOM 1247 CA LYS A 83 1.401 5.001 16.928 1.00 0.00 C ATOM 1248 C LYS A 83 2.279 4.797 18.158 1.00 0.00 C ATOM 1249 O LYS A 83 1.982 3.965 19.014 1.00 0.00 O ATOM 1250 CB LYS A 83 0.561 3.746 16.675 1.00 0.00 C ATOM 1251 CG LYS A 83 -0.399 3.883 15.506 1.00 0.00 C ATOM 1252 CD LYS A 83 -1.686 4.577 15.918 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.707 3.585 16.456 1.00 0.00 C ATOM 1254 NZ LYS A 83 -4.045 4.211 16.638 1.00 0.00 N ATOM 0 H LYS A 83 2.603 4.495 15.287 1.00 0.00 H new ATOM 0 HA LYS A 83 0.737 5.845 17.113 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.228 2.904 16.490 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.007 3.511 17.575 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.079 4.448 14.706 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.629 2.896 15.106 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.469 5.326 16.679 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.106 5.105 15.062 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.791 2.742 15.770 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.359 3.187 17.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.712 3.503 17.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.971 5.000 17.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.388 4.568 15.724 1.00 0.00 H new ATOM 1268 N ASN A 84 3.361 5.565 18.241 1.00 0.00 N ATOM 1269 CA ASN A 84 4.282 5.469 19.367 1.00 0.00 C ATOM 1270 C ASN A 84 3.676 6.094 20.620 1.00 0.00 C ATOM 1271 O ASN A 84 3.499 5.424 21.637 1.00 0.00 O ATOM 1272 CB ASN A 84 5.606 6.158 19.030 1.00 0.00 C ATOM 1273 CG ASN A 84 6.745 5.683 19.911 1.00 0.00 C ATOM 1274 OD1 ASN A 84 6.775 4.528 20.338 1.00 0.00 O ATOM 1275 ND2 ASN A 84 7.690 6.574 20.188 1.00 0.00 N ATOM 0 H ASN A 84 3.621 6.261 17.542 1.00 0.00 H new ATOM 0 HA ASN A 84 4.469 4.413 19.562 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.855 5.970 17.986 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.490 7.236 19.141 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.481 6.312 20.776 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.625 7.520 19.813 1.00 0.00 H new ATOM 1282 N ARG A 85 3.358 7.382 20.538 1.00 0.00 N ATOM 1283 CA ARG A 85 2.772 8.098 21.665 1.00 0.00 C ATOM 1284 C ARG A 85 1.792 9.163 21.182 1.00 0.00 C ATOM 1285 O ARG A 85 2.149 10.034 20.390 1.00 0.00 O ATOM 1286 CB ARG A 85 3.869 8.746 22.511 1.00 0.00 C ATOM 1287 CG ARG A 85 4.579 7.771 23.437 1.00 0.00 C ATOM 1288 CD ARG A 85 3.661 7.291 24.550 1.00 0.00 C ATOM 1289 NE ARG A 85 4.399 6.624 25.620 1.00 0.00 N ATOM 1290 CZ ARG A 85 3.816 6.001 26.637 1.00 0.00 C ATOM 1291 NH1 ARG A 85 2.493 5.958 26.723 1.00 0.00 N ATOM 1292 NH2 ARG A 85 4.556 5.417 27.571 1.00 0.00 N ATOM 0 H ARG A 85 3.496 7.951 19.703 1.00 0.00 H new ATOM 0 HA ARG A 85 2.228 7.378 22.277 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.603 9.206 21.849 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.431 9.547 23.107 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.935 6.915 22.863 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.457 8.252 23.869 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.115 8.140 24.961 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.920 6.605 24.138 1.00 0.00 H new ATOM 0 HE ARG A 85 5.418 6.638 25.584 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.921 6.404 26.006 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.048 5.478 27.506 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.574 5.447 27.508 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.107 4.939 28.352 1.00 0.00 H new ATOM 1306 N GLU A 86 0.555 9.084 21.664 1.00 0.00 N ATOM 1307 CA GLU A 86 -0.476 10.041 21.280 1.00 0.00 C ATOM 1308 C GLU A 86 -0.814 10.972 22.441 1.00 0.00 C ATOM 1309 O GLU A 86 -1.420 10.557 23.429 1.00 0.00 O ATOM 1310 CB GLU A 86 -1.736 9.307 20.817 1.00 0.00 C ATOM 1311 CG GLU A 86 -2.315 8.371 21.865 1.00 0.00 C ATOM 1312 CD GLU A 86 -3.262 7.346 21.271 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -2.965 6.826 20.176 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -4.302 7.065 21.904 1.00 0.00 O ATOM 0 H GLU A 86 0.243 8.368 22.320 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.090 10.642 20.456 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.493 10.041 20.540 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.503 8.734 19.919 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.502 7.856 22.376 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.844 8.956 22.617 1.00 0.00 H new ATOM 1321 N LEU A 87 -0.416 12.234 22.314 1.00 0.00 N ATOM 1322 CA LEU A 87 -0.675 13.225 23.352 1.00 0.00 C ATOM 1323 C LEU A 87 -1.439 14.418 22.786 1.00 0.00 C ATOM 1324 O LEU A 87 -0.865 15.271 22.109 1.00 0.00 O ATOM 1325 CB LEU A 87 0.640 13.697 23.975 1.00 0.00 C ATOM 1326 CG LEU A 87 1.578 12.597 24.474 1.00 0.00 C ATOM 1327 CD1 LEU A 87 2.995 13.130 24.620 1.00 0.00 C ATOM 1328 CD2 LEU A 87 1.080 12.031 25.796 1.00 0.00 C ATOM 0 H LEU A 87 0.087 12.594 21.503 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.287 12.756 24.123 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.174 14.296 23.237 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.407 14.356 24.812 1.00 0.00 H new ATOM 0 HG LEU A 87 1.588 11.793 23.738 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.648 12.334 24.976 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.351 13.487 23.653 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.002 13.952 25.335 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.759 11.250 26.136 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.040 12.826 26.540 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.083 11.611 25.660 1.00 0.00 H new ATOM 1340 N CYS A 88 -2.736 14.472 23.071 1.00 0.00 N ATOM 1341 CA CYS A 88 -3.579 15.562 22.592 1.00 0.00 C ATOM 1342 C CYS A 88 -3.401 16.807 23.455 1.00 0.00 C ATOM 1343 O CYS A 88 -3.628 16.773 24.663 1.00 0.00 O ATOM 1344 CB CYS A 88 -5.047 15.134 22.589 1.00 0.00 C ATOM 1345 SG CYS A 88 -6.126 16.206 21.609 1.00 0.00 S ATOM 0 H CYS A 88 -3.226 13.774 23.631 1.00 0.00 H new ATOM 0 HA CYS A 88 -3.276 15.803 21.573 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -5.117 14.116 22.204 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -5.410 15.112 23.616 1.00 0.00 H new ATOM 0 HG CYS A 88 -7.346 15.762 21.666 1.00 0.00 H new ATOM 1351 N GLU A 89 -2.991 17.903 22.825 1.00 0.00 N ATOM 1352 CA GLU A 89 -2.780 19.159 23.536 1.00 0.00 C ATOM 1353 C GLU A 89 -3.450 20.318 22.805 1.00 0.00 C ATOM 1354 O GLU A 89 -3.108 20.628 21.663 1.00 0.00 O ATOM 1355 CB GLU A 89 -1.284 19.436 23.693 1.00 0.00 C ATOM 1356 CG GLU A 89 -0.570 18.440 24.591 1.00 0.00 C ATOM 1357 CD GLU A 89 -0.686 18.792 26.061 1.00 0.00 C ATOM 1358 OE1 GLU A 89 0.005 19.734 26.502 1.00 0.00 O ATOM 1359 OE2 GLU A 89 -1.468 18.126 26.771 1.00 0.00 O ATOM 0 H GLU A 89 -2.798 17.947 21.824 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.231 19.068 24.524 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.816 19.425 22.709 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.150 20.439 24.098 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.984 17.445 24.426 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.483 18.397 24.314 1.00 0.00 H new ATOM 1366 N THR A 90 -4.408 20.956 23.470 1.00 0.00 N ATOM 1367 CA THR A 90 -5.127 22.080 22.884 1.00 0.00 C ATOM 1368 C THR A 90 -4.418 23.398 23.173 1.00 0.00 C ATOM 1369 O THR A 90 -4.056 24.133 22.255 1.00 0.00 O ATOM 1370 CB THR A 90 -6.571 22.160 23.414 1.00 0.00 C ATOM 1371 OG1 THR A 90 -7.236 20.907 23.217 1.00 0.00 O ATOM 1372 CG2 THR A 90 -7.345 23.265 22.712 1.00 0.00 C ATOM 0 H THR A 90 -4.704 20.713 24.415 1.00 0.00 H new ATOM 0 HA THR A 90 -5.151 21.913 21.807 1.00 0.00 H new ATOM 0 HB THR A 90 -6.531 22.386 24.479 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.153 20.966 23.558 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.362 23.302 23.103 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.853 24.222 22.888 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.375 23.064 21.641 1.00 0.00 H new ATOM 1380 N SER A 91 -4.222 23.690 24.455 1.00 0.00 N ATOM 1381 CA SER A 91 -3.558 24.922 24.865 1.00 0.00 C ATOM 1382 C SER A 91 -3.290 24.921 26.367 1.00 0.00 C ATOM 1383 O SER A 91 -4.217 24.972 27.174 1.00 0.00 O ATOM 1384 CB SER A 91 -4.410 26.135 24.488 1.00 0.00 C ATOM 1385 OG SER A 91 -3.837 27.334 24.981 1.00 0.00 O ATOM 0 H SER A 91 -4.513 23.091 25.227 1.00 0.00 H new ATOM 0 HA SER A 91 -2.603 24.982 24.343 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.506 26.193 23.404 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.416 26.016 24.891 1.00 0.00 H new ATOM 0 HG SER A 91 -4.400 28.095 24.725 1.00 0.00 H new ATOM 1391 N GLY A 92 -2.014 24.862 26.734 1.00 0.00 N ATOM 1392 CA GLY A 92 -1.645 24.855 28.138 1.00 0.00 C ATOM 1393 C GLY A 92 -2.432 25.865 28.949 1.00 0.00 C ATOM 1394 O GLY A 92 -2.813 26.928 28.457 1.00 0.00 O ATOM 0 H GLY A 92 -1.229 24.819 26.084 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.807 23.858 28.548 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.580 25.069 28.232 1.00 0.00 H new ATOM 1398 N PRO A 93 -2.689 25.536 30.224 1.00 0.00 N ATOM 1399 CA PRO A 93 -3.439 26.408 31.131 1.00 0.00 C ATOM 1400 C PRO A 93 -2.657 27.661 31.510 1.00 0.00 C ATOM 1401 O PRO A 93 -1.523 27.577 31.982 1.00 0.00 O ATOM 1402 CB PRO A 93 -3.668 25.528 32.362 1.00 0.00 C ATOM 1403 CG PRO A 93 -2.555 24.537 32.331 1.00 0.00 C ATOM 1404 CD PRO A 93 -2.266 24.286 30.877 1.00 0.00 C ATOM 0 HA PRO A 93 -4.359 26.774 30.675 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.648 26.117 33.279 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.639 25.034 32.321 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.674 24.923 32.843 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.839 23.615 32.837 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.209 24.082 30.707 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.821 23.428 30.499 1.00 0.00 H new ATOM 1412 N SER A 94 -3.269 28.822 31.301 1.00 0.00 N ATOM 1413 CA SER A 94 -2.628 30.093 31.618 1.00 0.00 C ATOM 1414 C SER A 94 -1.128 30.026 31.348 1.00 0.00 C ATOM 1415 O SER A 94 -0.321 30.516 32.138 1.00 0.00 O ATOM 1416 CB SER A 94 -2.878 30.464 33.081 1.00 0.00 C ATOM 1417 OG SER A 94 -4.201 30.935 33.268 1.00 0.00 O ATOM 0 H SER A 94 -4.208 28.909 30.913 1.00 0.00 H new ATOM 0 HA SER A 94 -3.062 30.861 30.977 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.705 29.594 33.715 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.168 31.231 33.392 1.00 0.00 H new ATOM 0 HG SER A 94 -4.336 31.164 34.211 1.00 0.00 H new ATOM 1423 N SER A 95 -0.761 29.417 30.224 1.00 0.00 N ATOM 1424 CA SER A 95 0.642 29.282 29.850 1.00 0.00 C ATOM 1425 C SER A 95 1.225 30.629 29.434 1.00 0.00 C ATOM 1426 O SER A 95 0.673 31.318 28.577 1.00 0.00 O ATOM 1427 CB SER A 95 0.793 28.273 28.710 1.00 0.00 C ATOM 1428 OG SER A 95 0.229 28.773 27.510 1.00 0.00 O ATOM 0 H SER A 95 -1.416 29.009 29.557 1.00 0.00 H new ATOM 0 HA SER A 95 1.192 28.921 30.719 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.849 28.050 28.554 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.306 27.336 28.982 1.00 0.00 H new ATOM 0 HG SER A 95 0.102 29.742 27.587 1.00 0.00 H new ATOM 1434 N GLY A 96 2.345 30.997 30.048 1.00 0.00 N ATOM 1435 CA GLY A 96 2.985 32.260 29.728 1.00 0.00 C ATOM 1436 C GLY A 96 3.559 32.280 28.325 1.00 0.00 C ATOM 1437 O GLY A 96 3.977 33.329 27.834 1.00 0.00 O ATOM 0 H GLY A 96 2.821 30.444 30.761 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.260 33.068 29.832 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.782 32.452 30.446 1.00 0.00 H new TER 1441 GLY A 96