USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 704 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 49 HIS : no HD1:sc= -23.4! C(o=-25!,f=-32!) USER MOD Set 1.2: A 51 TYR OH : rot 162:sc= -1.46! USER MOD Set 2.1: A 24 MET CE :methyl -177:sc= -6.15! (180deg=-5.73!) USER MOD Set 2.2: A 39 CYS SG : rot 145:sc= -2.1! USER MOD Set 2.3: A 45 CYS SG : rot -141:sc= -12.6! USER MOD Set 2.4: A 48 CYS SG : rot 134:sc= -0.126 USER MOD Set 2.5: A 85 SER OG : rot -8:sc= -4.33! USER MOD Set 2.6: A 86 CYS SG : rot -91:sc= -21.4! USER MOD Set 3.1: A 22 SER OG : rot 180:sc= 0.253 USER MOD Set 3.2: A 25 GLN : amide:sc= -3.96! K(o=-3.7!,f=-1.6) USER MOD Single : A 1 SER N :NH3+ -141:sc= -0.422 (180deg=-2.97!) USER MOD Single : A 1 SER OG : rot -164:sc= -2.16! USER MOD Single : A 2 LYS NZ :NH3+ -149:sc= -0.499 (180deg=-2.53!) USER MOD Single : A 5 TYR OH : rot -72:sc= -2.31! USER MOD Single : A 7 SER OG : rot 164:sc= -4.35! USER MOD Single : A 8 HIS : no HE2:sc= -3.56! C(o=-3.6!,f=-8.1!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 88:sc= 0.482 USER MOD Single : A 30 ASN : amide:sc= -9! C(o=-9!,f=-7.1!) USER MOD Single : A 33 TYR OH : rot 180:sc=-0.00758 USER MOD Single : A 42 SER OG : rot -26:sc= 0.732 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0315 USER MOD Single : A 53 ASN : amide:sc= -13.8! C(o=-14!,f=-11!) USER MOD Single : A 57 THR OG1 : rot 100:sc= -0.426 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.111! C(o=-0.11!,f=-6.7!) USER MOD Single : A 70 MET CE :methyl -174:sc= -16.2! (180deg=-16.9!) USER MOD Single : A 73 CYS SG : rot 120:sc= -6.17! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -2.25! C(o=-2.2!,f=-12!) USER MOD Single : A 82 SER OG : rot -99:sc= -6.29! USER MOD Single : A 87 GLN : amide:sc= -24.4! C(o=-24!,f=-36!) USER MOD Single : A 90 MET CE :methyl -161:sc= -11.6! (180deg=-12.7!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.627 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.559 -11.105 -9.062 1.00 0.00 N ATOM 2 CA SER A 1 2.870 -9.827 -9.769 1.00 0.00 C ATOM 3 C SER A 1 4.105 -9.169 -9.155 1.00 0.00 C ATOM 4 O SER A 1 4.513 -9.492 -8.057 1.00 0.00 O ATOM 5 CB SER A 1 1.640 -8.940 -9.562 1.00 0.00 C ATOM 6 OG SER A 1 0.488 -9.763 -9.460 1.00 0.00 O ATOM 0 H1 SER A 1 2.249 -11.818 -9.753 1.00 0.00 H new ATOM 0 H2 SER A 1 3.410 -11.446 -8.571 1.00 0.00 H new ATOM 0 H3 SER A 1 1.801 -10.943 -8.369 1.00 0.00 H new ATOM 0 HA SER A 1 3.083 -9.988 -10.826 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.756 -8.341 -8.659 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.533 -8.244 -10.394 1.00 0.00 H new ATOM 0 HG SER A 1 -0.317 -9.215 -9.575 1.00 0.00 H new ATOM 14 N LYS A 2 4.693 -8.241 -9.852 1.00 0.00 N ATOM 15 CA LYS A 2 5.893 -7.549 -9.310 1.00 0.00 C ATOM 16 C LYS A 2 5.458 -6.318 -8.518 1.00 0.00 C ATOM 17 O LYS A 2 4.877 -5.399 -9.060 1.00 0.00 O ATOM 18 CB LYS A 2 6.701 -7.134 -10.539 1.00 0.00 C ATOM 19 CG LYS A 2 8.191 -7.123 -10.193 1.00 0.00 C ATOM 20 CD LYS A 2 8.882 -5.983 -10.944 1.00 0.00 C ATOM 21 CE LYS A 2 10.128 -6.519 -11.652 1.00 0.00 C ATOM 22 NZ LYS A 2 10.816 -7.362 -10.635 1.00 0.00 N ATOM 0 H LYS A 2 4.394 -7.931 -10.776 1.00 0.00 H new ATOM 0 HA LYS A 2 6.474 -8.181 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.513 -7.825 -11.361 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.388 -6.146 -10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.325 -6.998 -9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.644 -8.077 -10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.198 -5.545 -11.671 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.159 -5.190 -10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.861 -7.102 -12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.770 -5.706 -11.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.843 -7.334 -10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.606 -6.999 -9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.480 -8.343 -10.713 1.00 0.00 H new ATOM 36 N VAL A 3 5.730 -6.282 -7.244 1.00 0.00 N ATOM 37 CA VAL A 3 5.322 -5.099 -6.446 1.00 0.00 C ATOM 38 C VAL A 3 6.553 -4.458 -5.818 1.00 0.00 C ATOM 39 O VAL A 3 7.485 -5.130 -5.421 1.00 0.00 O ATOM 40 CB VAL A 3 4.371 -5.647 -5.378 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.333 -4.706 -4.174 1.00 0.00 C ATOM 42 CG2 VAL A 3 2.966 -5.750 -5.965 1.00 0.00 C ATOM 0 H VAL A 3 6.214 -7.016 -6.726 1.00 0.00 H new ATOM 0 HA VAL A 3 4.837 -4.329 -7.046 1.00 0.00 H new ATOM 0 HB VAL A 3 4.722 -6.628 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.654 -5.106 -3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.333 -4.617 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.985 -3.723 -4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.284 -6.140 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.631 -4.762 -6.282 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.979 -6.422 -6.823 1.00 0.00 H new ATOM 52 N VAL A 4 6.562 -3.165 -5.723 1.00 0.00 N ATOM 53 CA VAL A 4 7.732 -2.478 -5.115 1.00 0.00 C ATOM 54 C VAL A 4 7.252 -1.527 -4.034 1.00 0.00 C ATOM 55 O VAL A 4 6.336 -0.754 -4.223 1.00 0.00 O ATOM 56 CB VAL A 4 8.413 -1.732 -6.260 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.297 -0.613 -5.700 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.278 -2.710 -7.058 1.00 0.00 C ATOM 0 H VAL A 4 5.811 -2.551 -6.039 1.00 0.00 H new ATOM 0 HA VAL A 4 8.428 -3.170 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 4 7.652 -1.298 -6.909 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.780 -0.085 -6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.683 0.085 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.058 -1.042 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.766 -2.180 -7.876 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.035 -3.143 -6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.650 -3.504 -7.463 1.00 0.00 H new ATOM 68 N TYR A 5 7.849 -1.616 -2.890 1.00 0.00 N ATOM 69 CA TYR A 5 7.424 -0.767 -1.756 1.00 0.00 C ATOM 70 C TYR A 5 8.413 0.345 -1.469 1.00 0.00 C ATOM 71 O TYR A 5 9.605 0.134 -1.418 1.00 0.00 O ATOM 72 CB TYR A 5 7.414 -1.724 -0.581 1.00 0.00 C ATOM 73 CG TYR A 5 6.578 -2.918 -0.927 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.217 -2.747 -1.175 1.00 0.00 C ATOM 75 CD2 TYR A 5 7.147 -4.198 -0.960 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.416 -3.859 -1.468 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.349 -5.300 -1.238 1.00 0.00 C ATOM 78 CZ TYR A 5 4.983 -5.139 -1.494 1.00 0.00 C ATOM 79 OH TYR A 5 4.197 -6.239 -1.768 1.00 0.00 O ATOM 0 H TYR A 5 8.623 -2.249 -2.689 1.00 0.00 H new ATOM 0 HA TYR A 5 6.468 -0.284 -1.959 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.431 -2.034 -0.340 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.014 -1.229 0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.781 -1.760 -1.141 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.202 -4.327 -0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.364 -3.729 -1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.786 -6.288 -1.257 1.00 0.00 H new ATOM 0 HH TYR A 5 3.611 -6.421 -1.004 1.00 0.00 H new ATOM 89 N VAL A 6 7.916 1.515 -1.210 1.00 0.00 N ATOM 90 CA VAL A 6 8.846 2.628 -0.844 1.00 0.00 C ATOM 91 C VAL A 6 8.484 3.129 0.541 1.00 0.00 C ATOM 92 O VAL A 6 7.348 3.464 0.809 1.00 0.00 O ATOM 93 CB VAL A 6 8.668 3.767 -1.845 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.874 4.714 -1.747 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.571 3.218 -3.260 1.00 0.00 C ATOM 0 H VAL A 6 6.925 1.755 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 6 9.878 2.277 -0.858 1.00 0.00 H new ATOM 0 HB VAL A 6 7.749 4.305 -1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.754 5.530 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.937 5.120 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.787 4.165 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.444 4.042 -3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.483 2.672 -3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.716 2.546 -3.332 1.00 0.00 H new ATOM 105 N SER A 7 9.429 3.206 1.420 1.00 0.00 N ATOM 106 CA SER A 7 9.106 3.710 2.760 1.00 0.00 C ATOM 107 C SER A 7 9.040 5.221 2.694 1.00 0.00 C ATOM 108 O SER A 7 9.637 5.853 1.844 1.00 0.00 O ATOM 109 CB SER A 7 10.240 3.243 3.668 1.00 0.00 C ATOM 110 OG SER A 7 11.438 3.915 3.305 1.00 0.00 O ATOM 0 H SER A 7 10.403 2.943 1.267 1.00 0.00 H new ATOM 0 HA SER A 7 8.149 3.347 3.136 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.995 3.449 4.710 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.373 2.165 3.579 1.00 0.00 H new ATOM 0 HG SER A 7 12.094 3.827 4.027 1.00 0.00 H new ATOM 116 N HIS A 8 8.304 5.795 3.572 1.00 0.00 N ATOM 117 CA HIS A 8 8.155 7.270 3.580 1.00 0.00 C ATOM 118 C HIS A 8 9.487 7.925 3.962 1.00 0.00 C ATOM 119 O HIS A 8 9.635 9.130 3.910 1.00 0.00 O ATOM 120 CB HIS A 8 7.018 7.510 4.585 1.00 0.00 C ATOM 121 CG HIS A 8 7.323 8.613 5.554 1.00 0.00 C ATOM 122 ND1 HIS A 8 6.368 9.548 5.875 1.00 0.00 N ATOM 123 CD2 HIS A 8 8.430 8.927 6.306 1.00 0.00 C ATOM 124 CE1 HIS A 8 6.902 10.382 6.787 1.00 0.00 C ATOM 125 NE2 HIS A 8 8.160 10.047 7.085 1.00 0.00 N ATOM 0 H HIS A 8 7.786 5.306 4.302 1.00 0.00 H new ATOM 0 HA HIS A 8 7.908 7.712 2.615 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.104 7.752 4.042 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.827 6.590 5.137 1.00 0.00 H new ATOM 0 HD1 HIS A 8 5.424 9.601 5.491 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.365 8.387 6.294 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.378 11.219 7.224 1.00 0.00 H new ATOM 133 N ASP A 9 10.470 7.135 4.313 1.00 0.00 N ATOM 134 CA ASP A 9 11.799 7.709 4.655 1.00 0.00 C ATOM 135 C ASP A 9 12.682 7.714 3.402 1.00 0.00 C ATOM 136 O ASP A 9 13.710 8.358 3.352 1.00 0.00 O ATOM 137 CB ASP A 9 12.375 6.790 5.737 1.00 0.00 C ATOM 138 CG ASP A 9 12.917 5.509 5.099 1.00 0.00 C ATOM 139 OD1 ASP A 9 13.866 5.604 4.339 1.00 0.00 O ATOM 140 OD2 ASP A 9 12.371 4.455 5.381 1.00 0.00 O ATOM 0 H ASP A 9 10.406 6.119 4.376 1.00 0.00 H new ATOM 0 HA ASP A 9 11.738 8.737 5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.171 7.303 6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.603 6.545 6.467 1.00 0.00 H new ATOM 145 N GLY A 10 12.267 7.011 2.381 1.00 0.00 N ATOM 146 CA GLY A 10 13.054 6.984 1.113 1.00 0.00 C ATOM 147 C GLY A 10 13.700 5.610 0.891 1.00 0.00 C ATOM 148 O GLY A 10 14.715 5.499 0.232 1.00 0.00 O ATOM 0 H GLY A 10 11.414 6.452 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.403 7.223 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.827 7.752 1.145 1.00 0.00 H new ATOM 152 N THR A 11 13.113 4.561 1.396 1.00 0.00 N ATOM 153 CA THR A 11 13.689 3.212 1.166 1.00 0.00 C ATOM 154 C THR A 11 12.759 2.455 0.222 1.00 0.00 C ATOM 155 O THR A 11 11.559 2.620 0.261 1.00 0.00 O ATOM 156 CB THR A 11 13.778 2.544 2.551 1.00 0.00 C ATOM 157 OG1 THR A 11 14.953 1.750 2.609 1.00 0.00 O ATOM 158 CG2 THR A 11 12.553 1.656 2.811 1.00 0.00 C ATOM 0 H THR A 11 12.261 4.582 1.957 1.00 0.00 H new ATOM 0 HA THR A 11 14.678 3.234 0.708 1.00 0.00 H new ATOM 0 HB THR A 11 13.809 3.323 3.313 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.016 1.323 3.489 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.640 1.196 3.795 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.649 2.263 2.773 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.500 0.878 2.050 1.00 0.00 H new ATOM 166 N ARG A 12 13.299 1.653 -0.635 1.00 0.00 N ATOM 167 CA ARG A 12 12.429 0.918 -1.597 1.00 0.00 C ATOM 168 C ARG A 12 12.634 -0.599 -1.508 1.00 0.00 C ATOM 169 O ARG A 12 13.717 -1.082 -1.246 1.00 0.00 O ATOM 170 CB ARG A 12 12.855 1.428 -2.975 1.00 0.00 C ATOM 171 CG ARG A 12 11.671 2.122 -3.651 1.00 0.00 C ATOM 172 CD ARG A 12 11.717 1.860 -5.157 1.00 0.00 C ATOM 173 NE ARG A 12 13.058 2.340 -5.590 1.00 0.00 N ATOM 174 CZ ARG A 12 13.237 2.766 -6.810 1.00 0.00 C ATOM 175 NH1 ARG A 12 12.345 3.537 -7.369 1.00 0.00 N ATOM 176 NH2 ARG A 12 14.307 2.421 -7.472 1.00 0.00 N ATOM 0 H ARG A 12 14.299 1.469 -0.718 1.00 0.00 H new ATOM 0 HA ARG A 12 11.373 1.091 -1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.689 2.123 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.203 0.598 -3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.734 1.752 -3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.705 3.194 -3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.587 0.801 -5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.920 2.394 -5.675 1.00 0.00 H new ATOM 0 HE ARG A 12 13.838 2.336 -4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.508 3.807 -6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.485 3.870 -8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.004 1.818 -7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.446 2.754 -8.426 1.00 0.00 H new ATOM 190 N ARG A 13 11.589 -1.349 -1.750 1.00 0.00 N ATOM 191 CA ARG A 13 11.693 -2.838 -1.712 1.00 0.00 C ATOM 192 C ARG A 13 10.869 -3.429 -2.856 1.00 0.00 C ATOM 193 O ARG A 13 9.852 -2.888 -3.229 1.00 0.00 O ATOM 194 CB ARG A 13 11.095 -3.262 -0.372 1.00 0.00 C ATOM 195 CG ARG A 13 11.658 -4.628 0.015 1.00 0.00 C ATOM 196 CD ARG A 13 11.745 -4.733 1.540 1.00 0.00 C ATOM 197 NE ARG A 13 13.079 -4.174 1.888 1.00 0.00 N ATOM 198 CZ ARG A 13 14.022 -4.963 2.323 1.00 0.00 C ATOM 199 NH1 ARG A 13 13.779 -5.793 3.300 1.00 0.00 N ATOM 200 NH2 ARG A 13 15.209 -4.921 1.783 1.00 0.00 N ATOM 0 H ARG A 13 10.661 -0.990 -1.974 1.00 0.00 H new ATOM 0 HA ARG A 13 12.722 -3.181 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.333 -2.526 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.008 -3.309 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.021 -5.420 -0.379 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.645 -4.764 -0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.944 -4.171 2.021 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.652 -5.768 1.871 1.00 0.00 H new ATOM 0 HE ARG A 13 13.256 -3.175 1.786 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.852 -5.825 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.516 -6.410 3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.400 -4.271 1.020 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.946 -5.538 2.123 1.00 0.00 H new ATOM 214 N GLU A 14 11.282 -4.529 -3.421 1.00 0.00 N ATOM 215 CA GLU A 14 10.480 -5.112 -4.535 1.00 0.00 C ATOM 216 C GLU A 14 10.225 -6.604 -4.304 1.00 0.00 C ATOM 217 O GLU A 14 11.139 -7.403 -4.236 1.00 0.00 O ATOM 218 CB GLU A 14 11.318 -4.891 -5.795 1.00 0.00 C ATOM 219 CG GLU A 14 11.861 -3.461 -5.803 1.00 0.00 C ATOM 220 CD GLU A 14 13.170 -3.406 -5.015 1.00 0.00 C ATOM 221 OE1 GLU A 14 13.792 -4.445 -4.866 1.00 0.00 O ATOM 222 OE2 GLU A 14 13.528 -2.327 -4.573 1.00 0.00 O ATOM 0 H GLU A 14 12.125 -5.043 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 14 9.499 -4.643 -4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.142 -5.604 -5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.711 -5.066 -6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.028 -3.130 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.131 -2.781 -5.363 1.00 0.00 H new ATOM 229 N LEU A 15 8.983 -6.975 -4.164 1.00 0.00 N ATOM 230 CA LEU A 15 8.632 -8.389 -3.915 1.00 0.00 C ATOM 231 C LEU A 15 7.834 -8.988 -5.063 1.00 0.00 C ATOM 232 O LEU A 15 7.622 -8.378 -6.092 1.00 0.00 O ATOM 233 CB LEU A 15 7.746 -8.305 -2.689 1.00 0.00 C ATOM 234 CG LEU A 15 8.632 -8.352 -1.471 1.00 0.00 C ATOM 235 CD1 LEU A 15 8.888 -6.962 -0.970 1.00 0.00 C ATOM 236 CD2 LEU A 15 7.945 -9.108 -0.357 1.00 0.00 C ATOM 0 H LEU A 15 8.186 -6.341 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 15 9.516 -9.016 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.164 -7.383 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.035 -9.131 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 15 9.564 -8.842 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.529 -7.005 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.380 -6.379 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.941 -6.490 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.594 -9.136 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.011 -8.608 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.734 -10.126 -0.684 1.00 0.00 H new ATOM 248 N ASP A 16 7.361 -10.179 -4.855 1.00 0.00 N ATOM 249 CA ASP A 16 6.531 -10.856 -5.878 1.00 0.00 C ATOM 250 C ASP A 16 5.134 -11.051 -5.292 1.00 0.00 C ATOM 251 O ASP A 16 4.894 -11.966 -4.530 1.00 0.00 O ATOM 252 CB ASP A 16 7.212 -12.202 -6.129 1.00 0.00 C ATOM 253 CG ASP A 16 6.596 -12.864 -7.363 1.00 0.00 C ATOM 254 OD1 ASP A 16 5.877 -12.186 -8.078 1.00 0.00 O ATOM 255 OD2 ASP A 16 6.855 -14.038 -7.571 1.00 0.00 O ATOM 0 H ASP A 16 7.518 -10.720 -4.005 1.00 0.00 H new ATOM 0 HA ASP A 16 6.438 -10.294 -6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.282 -12.058 -6.277 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.094 -12.849 -5.260 1.00 0.00 H new ATOM 260 N VAL A 17 4.218 -10.188 -5.622 1.00 0.00 N ATOM 261 CA VAL A 17 2.848 -10.320 -5.059 1.00 0.00 C ATOM 262 C VAL A 17 1.949 -11.009 -6.074 1.00 0.00 C ATOM 263 O VAL A 17 1.475 -10.409 -7.016 1.00 0.00 O ATOM 264 CB VAL A 17 2.386 -8.886 -4.807 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.022 -8.905 -4.119 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.400 -8.179 -3.906 1.00 0.00 C ATOM 0 H VAL A 17 4.357 -9.400 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 17 2.819 -10.915 -4.146 1.00 0.00 H new ATOM 0 HB VAL A 17 2.307 -8.355 -5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.691 -7.882 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.299 -9.413 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.101 -9.434 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.073 -7.155 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.476 -8.710 -2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.375 -8.168 -4.394 1.00 0.00 H new ATOM 276 N ALA A 18 1.732 -12.277 -5.892 1.00 0.00 N ATOM 277 CA ALA A 18 0.880 -13.031 -6.856 1.00 0.00 C ATOM 278 C ALA A 18 -0.604 -12.813 -6.572 1.00 0.00 C ATOM 279 O ALA A 18 -0.991 -11.921 -5.843 1.00 0.00 O ATOM 280 CB ALA A 18 1.240 -14.502 -6.655 1.00 0.00 C ATOM 0 H ALA A 18 2.106 -12.827 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 18 1.055 -12.697 -7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.649 -15.117 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.300 -14.649 -6.862 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.028 -14.791 -5.626 1.00 0.00 H new ATOM 286 N ASP A 19 -1.433 -13.632 -7.153 1.00 0.00 N ATOM 287 CA ASP A 19 -2.892 -13.508 -6.946 1.00 0.00 C ATOM 288 C ASP A 19 -3.267 -13.958 -5.534 1.00 0.00 C ATOM 289 O ASP A 19 -3.013 -15.076 -5.132 1.00 0.00 O ATOM 290 CB ASP A 19 -3.501 -14.423 -8.021 1.00 0.00 C ATOM 291 CG ASP A 19 -3.703 -15.842 -7.476 1.00 0.00 C ATOM 292 OD1 ASP A 19 -2.712 -16.490 -7.185 1.00 0.00 O ATOM 293 OD2 ASP A 19 -4.845 -16.254 -7.360 1.00 0.00 O ATOM 0 H ASP A 19 -1.152 -14.393 -7.772 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.255 -12.484 -7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.456 -14.016 -8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.847 -14.453 -8.893 1.00 0.00 H new ATOM 298 N GLY A 20 -3.874 -13.090 -4.786 1.00 0.00 N ATOM 299 CA GLY A 20 -4.280 -13.455 -3.400 1.00 0.00 C ATOM 300 C GLY A 20 -3.436 -12.690 -2.378 1.00 0.00 C ATOM 301 O GLY A 20 -3.711 -12.726 -1.195 1.00 0.00 O ATOM 0 H GLY A 20 -4.109 -12.139 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.336 -13.228 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.160 -14.528 -3.250 1.00 0.00 H new ATOM 305 N VAL A 21 -2.418 -11.990 -2.806 1.00 0.00 N ATOM 306 CA VAL A 21 -1.596 -11.232 -1.818 1.00 0.00 C ATOM 307 C VAL A 21 -1.926 -9.745 -1.873 1.00 0.00 C ATOM 308 O VAL A 21 -2.548 -9.254 -2.794 1.00 0.00 O ATOM 309 CB VAL A 21 -0.132 -11.426 -2.212 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.765 -10.682 -1.220 1.00 0.00 C ATOM 311 CG2 VAL A 21 0.238 -12.908 -2.196 1.00 0.00 C ATOM 0 H VAL A 21 -2.124 -11.911 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.797 -11.592 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 21 0.010 -11.034 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.809 -10.820 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.522 -9.620 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.603 -11.076 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.284 -13.025 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.086 -13.310 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.392 -13.448 -2.903 1.00 0.00 H new ATOM 321 N SER A 22 -1.475 -9.038 -0.890 1.00 0.00 N ATOM 322 CA SER A 22 -1.693 -7.568 -0.827 1.00 0.00 C ATOM 323 C SER A 22 -0.327 -6.874 -0.781 1.00 0.00 C ATOM 324 O SER A 22 0.644 -7.448 -0.327 1.00 0.00 O ATOM 325 CB SER A 22 -2.464 -7.337 0.476 1.00 0.00 C ATOM 326 OG SER A 22 -2.505 -8.546 1.226 1.00 0.00 O ATOM 0 H SER A 22 -0.950 -9.422 -0.104 1.00 0.00 H new ATOM 0 HA SER A 22 -2.239 -7.175 -1.684 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.985 -6.551 1.060 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.477 -6.999 0.256 1.00 0.00 H new ATOM 0 HG SER A 22 -2.997 -8.397 2.060 1.00 0.00 H new ATOM 332 N LEU A 23 -0.225 -5.657 -1.240 1.00 0.00 N ATOM 333 CA LEU A 23 1.104 -4.979 -1.200 1.00 0.00 C ATOM 334 C LEU A 23 1.745 -5.174 0.165 1.00 0.00 C ATOM 335 O LEU A 23 2.952 -5.229 0.292 1.00 0.00 O ATOM 336 CB LEU A 23 0.831 -3.489 -1.432 1.00 0.00 C ATOM 337 CG LEU A 23 0.109 -3.283 -2.772 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.390 -1.870 -3.281 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.616 -4.292 -3.810 1.00 0.00 C ATOM 0 H LEU A 23 -0.989 -5.109 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 23 1.780 -5.386 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.223 -3.092 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.770 -2.935 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.961 -3.427 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.120 -1.718 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.028 -1.143 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.463 -1.740 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.096 -4.135 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.687 -4.154 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.426 -5.305 -3.456 1.00 0.00 H new ATOM 351 N MET A 24 0.953 -5.269 1.192 1.00 0.00 N ATOM 352 CA MET A 24 1.544 -5.446 2.537 1.00 0.00 C ATOM 353 C MET A 24 1.991 -6.876 2.745 1.00 0.00 C ATOM 354 O MET A 24 3.130 -7.126 3.023 1.00 0.00 O ATOM 355 CB MET A 24 0.453 -5.082 3.541 1.00 0.00 C ATOM 356 CG MET A 24 0.847 -5.606 4.922 1.00 0.00 C ATOM 357 SD MET A 24 -0.424 -5.156 6.127 1.00 0.00 S ATOM 358 CE MET A 24 -0.129 -6.525 7.272 1.00 0.00 C ATOM 0 H MET A 24 -0.066 -5.232 1.157 1.00 0.00 H new ATOM 0 HA MET A 24 2.424 -4.815 2.659 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.318 -4.001 3.574 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.500 -5.513 3.233 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.966 -6.689 4.891 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.809 -5.188 5.220 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.852 -6.480 8.087 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.237 -7.472 6.743 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.880 -6.449 7.678 1.00 0.00 H new ATOM 368 N GLN A 25 1.096 -7.803 2.621 1.00 0.00 N ATOM 369 CA GLN A 25 1.444 -9.232 2.844 1.00 0.00 C ATOM 370 C GLN A 25 2.853 -9.550 2.317 1.00 0.00 C ATOM 371 O GLN A 25 3.760 -9.786 3.092 1.00 0.00 O ATOM 372 CB GLN A 25 0.377 -9.953 2.040 1.00 0.00 C ATOM 373 CG GLN A 25 0.591 -11.463 2.081 1.00 0.00 C ATOM 374 CD GLN A 25 -0.746 -12.168 1.828 1.00 0.00 C ATOM 375 OE1 GLN A 25 -0.867 -13.356 2.048 1.00 0.00 O ATOM 376 NE2 GLN A 25 -1.767 -11.484 1.367 1.00 0.00 N ATOM 0 H GLN A 25 0.122 -7.634 2.371 1.00 0.00 H new ATOM 0 HA GLN A 25 1.465 -9.519 3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.609 -9.711 2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.399 -9.607 1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.321 -11.760 1.327 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.995 -11.759 3.049 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.670 -10.486 1.181 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.658 -11.951 1.195 1.00 0.00 H new ATOM 385 N ALA A 26 3.065 -9.537 1.027 1.00 0.00 N ATOM 386 CA ALA A 26 4.443 -9.812 0.505 1.00 0.00 C ATOM 387 C ALA A 26 5.444 -9.031 1.351 1.00 0.00 C ATOM 388 O ALA A 26 6.208 -9.589 2.112 1.00 0.00 O ATOM 389 CB ALA A 26 4.427 -9.289 -0.941 1.00 0.00 C ATOM 0 H ALA A 26 2.356 -9.351 0.318 1.00 0.00 H new ATOM 0 HA ALA A 26 4.721 -10.865 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.403 -9.453 -1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.666 -9.820 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.201 -8.223 -0.940 1.00 0.00 H new ATOM 395 N ALA A 27 5.421 -7.740 1.232 1.00 0.00 N ATOM 396 CA ALA A 27 6.341 -6.894 2.034 1.00 0.00 C ATOM 397 C ALA A 27 6.310 -7.346 3.503 1.00 0.00 C ATOM 398 O ALA A 27 7.328 -7.523 4.142 1.00 0.00 O ATOM 399 CB ALA A 27 5.747 -5.496 1.879 1.00 0.00 C ATOM 0 H ALA A 27 4.798 -7.227 0.607 1.00 0.00 H new ATOM 0 HA ALA A 27 7.382 -6.947 1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.351 -4.780 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.737 -5.220 0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.728 -5.489 2.266 1.00 0.00 H new ATOM 405 N VAL A 28 5.134 -7.540 4.023 1.00 0.00 N ATOM 406 CA VAL A 28 4.968 -7.990 5.435 1.00 0.00 C ATOM 407 C VAL A 28 5.925 -9.151 5.703 1.00 0.00 C ATOM 408 O VAL A 28 6.827 -9.056 6.510 1.00 0.00 O ATOM 409 CB VAL A 28 3.490 -8.422 5.495 1.00 0.00 C ATOM 410 CG1 VAL A 28 3.331 -9.839 6.065 1.00 0.00 C ATOM 411 CG2 VAL A 28 2.699 -7.454 6.368 1.00 0.00 C ATOM 0 H VAL A 28 4.258 -7.403 3.518 1.00 0.00 H new ATOM 0 HA VAL A 28 5.195 -7.233 6.186 1.00 0.00 H new ATOM 0 HB VAL A 28 3.110 -8.413 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.274 -10.105 6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.868 -10.547 5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.738 -9.872 7.076 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.656 -7.767 6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.113 -7.452 7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.762 -6.450 5.948 1.00 0.00 H new ATOM 421 N SER A 29 5.744 -10.236 5.009 1.00 0.00 N ATOM 422 CA SER A 29 6.654 -11.395 5.190 1.00 0.00 C ATOM 423 C SER A 29 8.087 -10.900 5.139 1.00 0.00 C ATOM 424 O SER A 29 8.915 -11.228 5.965 1.00 0.00 O ATOM 425 CB SER A 29 6.405 -12.282 3.987 1.00 0.00 C ATOM 426 OG SER A 29 5.390 -11.711 3.169 1.00 0.00 O ATOM 0 H SER A 29 5.002 -10.370 4.322 1.00 0.00 H new ATOM 0 HA SER A 29 6.488 -11.914 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.324 -12.399 3.413 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.104 -13.278 4.314 1.00 0.00 H new ATOM 0 HG SER A 29 5.796 -11.089 2.530 1.00 0.00 H new ATOM 432 N ASN A 30 8.368 -10.089 4.160 1.00 0.00 N ATOM 433 CA ASN A 30 9.728 -9.524 4.007 1.00 0.00 C ATOM 434 C ASN A 30 10.045 -8.591 5.178 1.00 0.00 C ATOM 435 O ASN A 30 11.124 -8.041 5.275 1.00 0.00 O ATOM 436 CB ASN A 30 9.635 -8.742 2.702 1.00 0.00 C ATOM 437 CG ASN A 30 10.324 -9.527 1.594 1.00 0.00 C ATOM 438 OD1 ASN A 30 11.477 -9.294 1.289 1.00 0.00 O ATOM 439 ND2 ASN A 30 9.659 -10.456 0.975 1.00 0.00 N ATOM 0 H ASN A 30 7.699 -9.791 3.450 1.00 0.00 H new ATOM 0 HA ASN A 30 10.514 -10.279 3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.591 -8.567 2.444 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.104 -7.765 2.816 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.105 -10.992 0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.691 -10.649 1.234 1.00 0.00 H new ATOM 446 N GLY A 31 9.104 -8.402 6.063 1.00 0.00 N ATOM 447 CA GLY A 31 9.345 -7.489 7.225 1.00 0.00 C ATOM 448 C GLY A 31 9.108 -6.045 6.790 1.00 0.00 C ATOM 449 O GLY A 31 9.072 -5.138 7.599 1.00 0.00 O ATOM 0 H GLY A 31 8.182 -8.837 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.679 -7.747 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.365 -7.608 7.590 1.00 0.00 H new ATOM 453 N ILE A 32 8.929 -5.829 5.518 1.00 0.00 N ATOM 454 CA ILE A 32 8.674 -4.453 5.013 1.00 0.00 C ATOM 455 C ILE A 32 7.691 -3.744 5.944 1.00 0.00 C ATOM 456 O ILE A 32 7.762 -2.547 6.143 1.00 0.00 O ATOM 457 CB ILE A 32 8.054 -4.688 3.639 1.00 0.00 C ATOM 458 CG1 ILE A 32 9.017 -5.550 2.811 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.773 -3.356 2.930 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.978 -5.148 1.336 1.00 0.00 C ATOM 0 H ILE A 32 8.949 -6.554 4.800 1.00 0.00 H new ATOM 0 HA ILE A 32 9.566 -3.828 4.964 1.00 0.00 H new ATOM 0 HB ILE A 32 7.100 -5.204 3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.031 -5.441 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.749 -6.602 2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.331 -3.550 1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.082 -2.764 3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.706 -2.807 2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.669 -5.773 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.968 -5.281 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.270 -4.103 1.236 1.00 0.00 H new ATOM 472 N TYR A 33 6.765 -4.473 6.510 1.00 0.00 N ATOM 473 CA TYR A 33 5.774 -3.822 7.422 1.00 0.00 C ATOM 474 C TYR A 33 5.952 -4.231 8.876 1.00 0.00 C ATOM 475 O TYR A 33 5.046 -4.753 9.494 1.00 0.00 O ATOM 476 CB TYR A 33 4.408 -4.265 6.934 1.00 0.00 C ATOM 477 CG TYR A 33 4.105 -3.516 5.681 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.659 -2.188 5.737 1.00 0.00 C ATOM 479 CD2 TYR A 33 4.288 -4.145 4.461 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.397 -1.492 4.548 1.00 0.00 C ATOM 481 CE2 TYR A 33 4.028 -3.465 3.281 1.00 0.00 C ATOM 482 CZ TYR A 33 3.582 -2.135 3.314 1.00 0.00 C ATOM 483 OH TYR A 33 3.326 -1.460 2.137 1.00 0.00 O ATOM 0 H TYR A 33 6.651 -5.479 6.384 1.00 0.00 H new ATOM 0 HA TYR A 33 5.906 -2.740 7.395 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.399 -5.339 6.748 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.649 -4.066 7.691 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.518 -1.703 6.692 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.634 -5.168 4.429 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.055 -0.468 4.582 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.169 -3.961 2.332 1.00 0.00 H new ATOM 0 HH TYR A 33 3.506 -2.050 1.376 1.00 0.00 H new ATOM 559 N CYS A 39 -4.066 -4.312 11.286 1.00 0.00 N ATOM 560 CA CYS A 39 -4.573 -5.014 10.069 1.00 0.00 C ATOM 561 C CYS A 39 -4.149 -6.484 10.067 1.00 0.00 C ATOM 562 O CYS A 39 -4.864 -7.342 9.588 1.00 0.00 O ATOM 563 CB CYS A 39 -3.896 -4.254 8.950 1.00 0.00 C ATOM 564 SG CYS A 39 -2.104 -4.304 9.225 1.00 0.00 S ATOM 0 HA CYS A 39 -5.660 -5.026 9.994 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.144 -4.698 7.986 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.247 -3.222 8.926 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.491 -4.368 8.080 1.00 0.00 H new ATOM 569 N GLY A 40 -2.994 -6.783 10.595 1.00 0.00 N ATOM 570 CA GLY A 40 -2.531 -8.199 10.615 1.00 0.00 C ATOM 571 C GLY A 40 -2.805 -8.837 9.253 1.00 0.00 C ATOM 572 O GLY A 40 -3.097 -10.012 9.152 1.00 0.00 O ATOM 0 H GLY A 40 -2.352 -6.109 11.013 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.466 -8.243 10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.048 -8.752 11.399 1.00 0.00 H new ATOM 576 N GLY A 41 -2.714 -8.067 8.202 1.00 0.00 N ATOM 577 CA GLY A 41 -2.972 -8.624 6.844 1.00 0.00 C ATOM 578 C GLY A 41 -4.480 -8.705 6.600 1.00 0.00 C ATOM 579 O GLY A 41 -4.961 -9.599 5.933 1.00 0.00 O ATOM 0 H GLY A 41 -2.472 -7.076 8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.504 -7.995 6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.525 -9.614 6.755 1.00 0.00 H new ATOM 583 N SER A 42 -5.231 -7.778 7.131 1.00 0.00 N ATOM 584 CA SER A 42 -6.707 -7.807 6.924 1.00 0.00 C ATOM 585 C SER A 42 -7.241 -6.391 6.696 1.00 0.00 C ATOM 586 O SER A 42 -8.434 -6.165 6.643 1.00 0.00 O ATOM 587 CB SER A 42 -7.279 -8.397 8.211 1.00 0.00 C ATOM 588 OG SER A 42 -8.698 -8.427 8.125 1.00 0.00 O ATOM 0 H SER A 42 -4.887 -7.003 7.698 1.00 0.00 H new ATOM 0 HA SER A 42 -6.987 -8.394 6.049 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.891 -9.404 8.367 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.968 -7.800 9.068 1.00 0.00 H new ATOM 0 HG SER A 42 -9.003 -7.731 7.506 1.00 0.00 H new ATOM 594 N ALA A 43 -6.365 -5.437 6.555 1.00 0.00 N ATOM 595 CA ALA A 43 -6.813 -4.035 6.324 1.00 0.00 C ATOM 596 C ALA A 43 -7.554 -3.491 7.540 1.00 0.00 C ATOM 597 O ALA A 43 -8.678 -3.043 7.467 1.00 0.00 O ATOM 598 CB ALA A 43 -7.729 -4.098 5.129 1.00 0.00 C ATOM 0 H ALA A 43 -5.354 -5.568 6.590 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.968 -3.368 6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.098 -3.098 4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.181 -4.488 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.571 -4.754 5.350 1.00 0.00 H new ATOM 604 N SER A 44 -6.895 -3.523 8.639 1.00 0.00 N ATOM 605 CA SER A 44 -7.441 -2.995 9.913 1.00 0.00 C ATOM 606 C SER A 44 -6.351 -2.118 10.530 1.00 0.00 C ATOM 607 O SER A 44 -6.190 -2.068 11.732 1.00 0.00 O ATOM 608 CB SER A 44 -7.706 -4.224 10.781 1.00 0.00 C ATOM 609 OG SER A 44 -9.051 -4.192 11.242 1.00 0.00 O ATOM 0 H SER A 44 -5.955 -3.910 8.720 1.00 0.00 H new ATOM 0 HA SER A 44 -8.351 -2.406 9.800 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.527 -5.134 10.208 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.020 -4.241 11.627 1.00 0.00 H new ATOM 0 HG SER A 44 -9.225 -4.980 11.798 1.00 0.00 H new ATOM 615 N CYS A 45 -5.547 -1.483 9.705 1.00 0.00 N ATOM 616 CA CYS A 45 -4.412 -0.687 10.265 1.00 0.00 C ATOM 617 C CYS A 45 -4.539 0.824 10.118 1.00 0.00 C ATOM 618 O CYS A 45 -5.143 1.338 9.217 1.00 0.00 O ATOM 619 CB CYS A 45 -3.150 -1.176 9.539 1.00 0.00 C ATOM 620 SG CYS A 45 -3.440 -1.433 7.761 1.00 0.00 S ATOM 0 H CYS A 45 -5.627 -1.482 8.688 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.388 -0.848 11.343 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.350 -0.448 9.674 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.812 -2.109 9.989 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.802 -2.495 7.366 1.00 0.00 H new ATOM 625 N ALA A 46 -3.915 1.534 11.011 1.00 0.00 N ATOM 626 CA ALA A 46 -3.923 3.017 10.944 1.00 0.00 C ATOM 627 C ALA A 46 -2.511 3.512 10.600 1.00 0.00 C ATOM 628 O ALA A 46 -2.278 4.693 10.440 1.00 0.00 O ATOM 629 CB ALA A 46 -4.327 3.476 12.346 1.00 0.00 C ATOM 0 H ALA A 46 -3.393 1.144 11.795 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.603 3.404 10.185 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.356 4.565 12.378 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.313 3.080 12.589 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.600 3.111 13.072 1.00 0.00 H new ATOM 635 N THR A 47 -1.559 2.611 10.518 1.00 0.00 N ATOM 636 CA THR A 47 -0.156 3.027 10.222 1.00 0.00 C ATOM 637 C THR A 47 0.306 2.589 8.823 1.00 0.00 C ATOM 638 O THR A 47 1.223 3.164 8.271 1.00 0.00 O ATOM 639 CB THR A 47 0.686 2.338 11.296 1.00 0.00 C ATOM 640 OG1 THR A 47 0.289 0.977 11.404 1.00 0.00 O ATOM 641 CG2 THR A 47 0.478 3.040 12.639 1.00 0.00 C ATOM 0 H THR A 47 -1.696 1.608 10.644 1.00 0.00 H new ATOM 0 HA THR A 47 -0.061 4.113 10.232 1.00 0.00 H new ATOM 0 HB THR A 47 1.740 2.390 11.022 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.829 0.532 12.091 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.079 2.548 13.404 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.782 4.084 12.555 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.575 2.990 12.917 1.00 0.00 H new ATOM 649 N CYS A 48 -0.293 1.582 8.234 1.00 0.00 N ATOM 650 CA CYS A 48 0.175 1.163 6.874 1.00 0.00 C ATOM 651 C CYS A 48 -0.289 2.150 5.804 1.00 0.00 C ATOM 652 O CYS A 48 -0.110 1.911 4.627 1.00 0.00 O ATOM 653 CB CYS A 48 -0.415 -0.213 6.589 1.00 0.00 C ATOM 654 SG CYS A 48 0.040 -1.404 7.873 1.00 0.00 S ATOM 0 H CYS A 48 -1.067 1.043 8.623 1.00 0.00 H new ATOM 0 HA CYS A 48 1.264 1.138 6.852 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.501 -0.139 6.527 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.064 -0.568 5.620 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.013 -2.075 8.235 1.00 0.00 H new ATOM 659 N HIS A 49 -0.866 3.261 6.188 1.00 0.00 N ATOM 660 CA HIS A 49 -1.306 4.252 5.166 1.00 0.00 C ATOM 661 C HIS A 49 -0.202 4.382 4.115 1.00 0.00 C ATOM 662 O HIS A 49 0.920 4.728 4.430 1.00 0.00 O ATOM 663 CB HIS A 49 -1.486 5.559 5.939 1.00 0.00 C ATOM 664 CG HIS A 49 -1.920 6.656 5.006 1.00 0.00 C ATOM 665 ND1 HIS A 49 -2.695 7.722 5.433 1.00 0.00 N ATOM 666 CD2 HIS A 49 -1.686 6.878 3.671 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.895 8.529 4.378 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.303 8.062 3.279 1.00 0.00 N ATOM 0 H HIS A 49 -1.049 3.521 7.157 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.225 3.971 4.651 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.228 5.426 6.726 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.551 5.834 6.426 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.111 6.232 3.024 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.466 9.445 4.416 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -2.302 8.482 2.350 1.00 0.00 H new ATOM 676 N VAL A 50 -0.492 4.093 2.877 1.00 0.00 N ATOM 677 CA VAL A 50 0.565 4.185 1.841 1.00 0.00 C ATOM 678 C VAL A 50 -0.022 4.707 0.547 1.00 0.00 C ATOM 679 O VAL A 50 -1.221 4.726 0.354 1.00 0.00 O ATOM 680 CB VAL A 50 1.075 2.760 1.637 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.871 2.315 2.863 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.114 1.827 1.421 1.00 0.00 C ATOM 0 H VAL A 50 -1.410 3.799 2.543 1.00 0.00 H new ATOM 0 HA VAL A 50 1.364 4.863 2.143 1.00 0.00 H new ATOM 0 HB VAL A 50 1.726 2.726 0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.233 1.298 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.719 2.984 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.230 2.345 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.245 0.808 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.766 1.860 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.671 2.145 0.540 1.00 0.00 H new ATOM 692 N TYR A 51 0.823 5.123 -0.335 1.00 0.00 N ATOM 693 CA TYR A 51 0.354 5.659 -1.631 1.00 0.00 C ATOM 694 C TYR A 51 0.814 4.755 -2.777 1.00 0.00 C ATOM 695 O TYR A 51 1.992 4.560 -3.000 1.00 0.00 O ATOM 696 CB TYR A 51 1.010 7.037 -1.707 1.00 0.00 C ATOM 697 CG TYR A 51 0.291 8.021 -0.793 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.900 7.651 -0.140 1.00 0.00 C ATOM 699 CD2 TYR A 51 0.788 9.328 -0.634 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.583 8.578 0.648 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.101 10.249 0.165 1.00 0.00 C ATOM 702 CZ TYR A 51 -1.087 9.876 0.799 1.00 0.00 C ATOM 703 OH TYR A 51 -1.768 10.785 1.579 1.00 0.00 O ATOM 0 H TYR A 51 1.836 5.116 -0.214 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.732 5.712 -1.712 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.059 6.963 -1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.986 7.401 -2.734 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.286 6.648 -0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.702 9.621 -1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.499 8.291 1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.489 11.249 0.292 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.170 11.524 1.817 1.00 0.00 H new ATOM 713 N VAL A 52 -0.119 4.209 -3.506 1.00 0.00 N ATOM 714 CA VAL A 52 0.250 3.315 -4.653 1.00 0.00 C ATOM 715 C VAL A 52 0.506 4.189 -5.907 1.00 0.00 C ATOM 716 O VAL A 52 -0.200 5.156 -6.116 1.00 0.00 O ATOM 717 CB VAL A 52 -0.971 2.407 -4.877 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.643 1.337 -5.937 1.00 0.00 C ATOM 719 CG2 VAL A 52 -1.334 1.715 -3.560 1.00 0.00 C ATOM 0 H VAL A 52 -1.120 4.339 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 52 1.149 2.730 -4.458 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.809 3.012 -5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.513 0.698 -6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.381 1.824 -6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.197 0.732 -5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.199 1.070 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.490 1.115 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.571 2.467 -2.807 1.00 0.00 H new ATOM 729 N ASN A 53 1.475 3.893 -6.757 1.00 0.00 N ATOM 730 CA ASN A 53 1.651 4.777 -7.956 1.00 0.00 C ATOM 731 C ASN A 53 0.364 4.785 -8.785 1.00 0.00 C ATOM 732 O ASN A 53 -0.221 3.757 -9.066 1.00 0.00 O ATOM 733 CB ASN A 53 2.838 4.242 -8.782 1.00 0.00 C ATOM 734 CG ASN A 53 2.736 2.733 -9.057 1.00 0.00 C ATOM 735 OD1 ASN A 53 3.563 2.191 -9.763 1.00 0.00 O ATOM 736 ND2 ASN A 53 1.766 2.023 -8.567 1.00 0.00 N ATOM 0 H ASN A 53 2.124 3.110 -6.675 1.00 0.00 H new ATOM 0 HA ASN A 53 1.858 5.802 -7.650 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.887 4.778 -9.730 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.767 4.449 -8.251 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.707 1.027 -8.777 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.063 2.462 -7.972 1.00 0.00 H new ATOM 743 N GLU A 54 -0.088 5.953 -9.148 1.00 0.00 N ATOM 744 CA GLU A 54 -1.356 6.091 -9.931 1.00 0.00 C ATOM 745 C GLU A 54 -1.552 4.966 -10.957 1.00 0.00 C ATOM 746 O GLU A 54 -2.660 4.692 -11.361 1.00 0.00 O ATOM 747 CB GLU A 54 -1.220 7.435 -10.647 1.00 0.00 C ATOM 748 CG GLU A 54 -0.058 7.369 -11.639 1.00 0.00 C ATOM 749 CD GLU A 54 -0.202 8.490 -12.671 1.00 0.00 C ATOM 750 OE1 GLU A 54 -0.666 9.555 -12.297 1.00 0.00 O ATOM 751 OE2 GLU A 54 0.154 8.265 -13.815 1.00 0.00 O ATOM 0 H GLU A 54 0.374 6.836 -8.933 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.223 6.033 -9.273 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.145 7.676 -11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.048 8.230 -9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.891 7.466 -11.111 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.047 6.400 -12.138 1.00 0.00 H new ATOM 758 N ALA A 55 -0.508 4.331 -11.410 1.00 0.00 N ATOM 759 CA ALA A 55 -0.688 3.256 -12.438 1.00 0.00 C ATOM 760 C ALA A 55 -1.334 1.993 -11.849 1.00 0.00 C ATOM 761 O ALA A 55 -2.195 1.392 -12.461 1.00 0.00 O ATOM 762 CB ALA A 55 0.724 2.949 -12.938 1.00 0.00 C ATOM 0 H ALA A 55 0.455 4.503 -11.120 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.356 3.584 -13.234 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.679 2.168 -13.697 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.161 3.850 -13.369 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.339 2.610 -12.105 1.00 0.00 H new ATOM 768 N PHE A 56 -0.931 1.575 -10.683 1.00 0.00 N ATOM 769 CA PHE A 56 -1.535 0.341 -10.093 1.00 0.00 C ATOM 770 C PHE A 56 -2.698 0.717 -9.175 1.00 0.00 C ATOM 771 O PHE A 56 -3.398 -0.132 -8.668 1.00 0.00 O ATOM 772 CB PHE A 56 -0.381 -0.330 -9.335 1.00 0.00 C ATOM 773 CG PHE A 56 0.668 -0.717 -10.361 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.490 0.284 -10.901 1.00 0.00 C ATOM 775 CD2 PHE A 56 0.807 -2.049 -10.818 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.430 -0.028 -11.884 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.755 -2.347 -11.793 1.00 0.00 C ATOM 778 CZ PHE A 56 2.560 -1.342 -12.333 1.00 0.00 C ATOM 0 H PHE A 56 -0.216 2.027 -10.114 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.956 -0.334 -10.838 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.039 0.350 -8.594 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.735 -1.209 -8.797 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.395 1.302 -10.554 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.181 -2.830 -10.413 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.057 0.748 -12.297 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.869 -3.365 -12.135 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.283 -1.582 -13.098 1.00 0.00 H new ATOM 788 N THR A 57 -2.921 1.989 -8.975 1.00 0.00 N ATOM 789 CA THR A 57 -4.057 2.423 -8.110 1.00 0.00 C ATOM 790 C THR A 57 -5.364 2.389 -8.911 1.00 0.00 C ATOM 791 O THR A 57 -6.441 2.269 -8.360 1.00 0.00 O ATOM 792 CB THR A 57 -3.743 3.862 -7.693 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.115 4.745 -8.741 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.250 4.017 -7.405 1.00 0.00 C ATOM 0 H THR A 57 -2.366 2.746 -9.373 1.00 0.00 H new ATOM 0 HA THR A 57 -4.176 1.770 -7.246 1.00 0.00 H new ATOM 0 HB THR A 57 -4.304 4.100 -6.789 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.984 5.149 -8.535 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.041 5.045 -7.110 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.963 3.342 -6.598 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.679 3.774 -8.301 1.00 0.00 H new ATOM 802 N ASP A 58 -5.272 2.503 -10.212 1.00 0.00 N ATOM 803 CA ASP A 58 -6.516 2.487 -11.055 1.00 0.00 C ATOM 804 C ASP A 58 -6.905 1.046 -11.384 1.00 0.00 C ATOM 805 O ASP A 58 -8.066 0.729 -11.547 1.00 0.00 O ATOM 806 CB ASP A 58 -6.228 3.260 -12.367 1.00 0.00 C ATOM 807 CG ASP A 58 -4.799 3.798 -12.420 1.00 0.00 C ATOM 808 OD1 ASP A 58 -3.883 2.994 -12.363 1.00 0.00 O ATOM 809 OD2 ASP A 58 -4.644 5.005 -12.521 1.00 0.00 O ATOM 0 H ASP A 58 -4.398 2.606 -10.728 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.337 2.956 -10.513 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.398 2.602 -13.219 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.930 4.089 -12.460 1.00 0.00 H new ATOM 814 N LYS A 59 -5.946 0.172 -11.477 1.00 0.00 N ATOM 815 CA LYS A 59 -6.264 -1.247 -11.790 1.00 0.00 C ATOM 816 C LYS A 59 -6.742 -1.952 -10.522 1.00 0.00 C ATOM 817 O LYS A 59 -7.772 -2.598 -10.504 1.00 0.00 O ATOM 818 CB LYS A 59 -4.942 -1.842 -12.264 1.00 0.00 C ATOM 819 CG LYS A 59 -4.496 -1.139 -13.547 1.00 0.00 C ATOM 820 CD LYS A 59 -5.668 -1.073 -14.529 1.00 0.00 C ATOM 821 CE LYS A 59 -5.136 -1.103 -15.964 1.00 0.00 C ATOM 822 NZ LYS A 59 -5.686 0.126 -16.603 1.00 0.00 N ATOM 0 H LYS A 59 -4.955 0.378 -11.350 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.050 -1.352 -12.538 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.182 -1.728 -11.491 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.056 -2.911 -12.443 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.142 -0.134 -13.319 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.661 -1.676 -13.997 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.343 -1.913 -14.363 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.244 -0.163 -14.363 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.046 -1.103 -15.981 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.463 -2.001 -16.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.365 0.177 -17.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.725 0.095 -16.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.352 0.965 -16.087 1.00 0.00 H new ATOM 836 N VAL A 60 -6.000 -1.820 -9.460 1.00 0.00 N ATOM 837 CA VAL A 60 -6.389 -2.456 -8.180 1.00 0.00 C ATOM 838 C VAL A 60 -7.896 -2.351 -7.953 1.00 0.00 C ATOM 839 O VAL A 60 -8.567 -1.540 -8.562 1.00 0.00 O ATOM 840 CB VAL A 60 -5.660 -1.643 -7.117 1.00 0.00 C ATOM 841 CG1 VAL A 60 -4.177 -2.007 -7.093 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.819 -0.146 -7.411 1.00 0.00 C ATOM 0 H VAL A 60 -5.129 -1.290 -9.428 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.137 -3.516 -8.162 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.094 -1.871 -6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.670 -1.418 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.066 -3.067 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.735 -1.796 -8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.296 0.432 -6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.397 0.079 -8.390 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.877 0.116 -7.403 1.00 0.00 H new ATOM 852 N PRO A 61 -8.366 -3.166 -7.055 1.00 0.00 N ATOM 853 CA PRO A 61 -9.805 -3.167 -6.694 1.00 0.00 C ATOM 854 C PRO A 61 -10.189 -1.878 -5.989 1.00 0.00 C ATOM 855 O PRO A 61 -9.361 -1.095 -5.571 1.00 0.00 O ATOM 856 CB PRO A 61 -9.943 -4.360 -5.756 1.00 0.00 C ATOM 857 CG PRO A 61 -8.568 -4.567 -5.203 1.00 0.00 C ATOM 858 CD PRO A 61 -7.609 -4.163 -6.293 1.00 0.00 C ATOM 0 HA PRO A 61 -10.457 -3.236 -7.565 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.663 -4.159 -4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.293 -5.244 -6.288 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.414 -3.965 -4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.416 -5.608 -4.918 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.689 -3.744 -5.885 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.324 -5.013 -6.914 1.00 0.00 H new ATOM 866 N ALA A 62 -11.457 -1.666 -5.879 1.00 0.00 N ATOM 867 CA ALA A 62 -11.977 -0.444 -5.229 1.00 0.00 C ATOM 868 C ALA A 62 -11.958 -0.588 -3.706 1.00 0.00 C ATOM 869 O ALA A 62 -12.657 -1.406 -3.139 1.00 0.00 O ATOM 870 CB ALA A 62 -13.400 -0.352 -5.757 1.00 0.00 C ATOM 0 H ALA A 62 -12.176 -2.304 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.386 0.446 -5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.888 0.527 -5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.380 -0.271 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.953 -1.246 -5.470 1.00 0.00 H new ATOM 876 N ALA A 63 -11.171 0.206 -3.041 1.00 0.00 N ATOM 877 CA ALA A 63 -11.112 0.124 -1.552 1.00 0.00 C ATOM 878 C ALA A 63 -12.431 0.634 -0.959 1.00 0.00 C ATOM 879 O ALA A 63 -13.065 1.514 -1.506 1.00 0.00 O ATOM 880 CB ALA A 63 -9.950 1.036 -1.149 1.00 0.00 C ATOM 0 H ALA A 63 -10.564 0.910 -3.461 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.966 -0.894 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.842 1.030 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.029 0.676 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.151 2.052 -1.488 1.00 0.00 H new ATOM 886 N ASN A 64 -12.863 0.080 0.144 1.00 0.00 N ATOM 887 CA ASN A 64 -14.153 0.536 0.744 1.00 0.00 C ATOM 888 C ASN A 64 -13.919 1.506 1.903 1.00 0.00 C ATOM 889 O ASN A 64 -12.803 1.741 2.321 1.00 0.00 O ATOM 890 CB ASN A 64 -14.836 -0.730 1.258 1.00 0.00 C ATOM 891 CG ASN A 64 -13.853 -1.533 2.112 1.00 0.00 C ATOM 892 OD1 ASN A 64 -12.755 -1.087 2.376 1.00 0.00 O ATOM 893 ND2 ASN A 64 -14.204 -2.709 2.557 1.00 0.00 N ATOM 0 H ASN A 64 -12.383 -0.663 0.652 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.758 1.067 0.008 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.715 -0.468 1.847 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.183 -1.334 0.420 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.556 -3.253 3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.126 -3.084 2.335 1.00 0.00 H new ATOM 900 N GLU A 65 -14.979 2.060 2.421 1.00 0.00 N ATOM 901 CA GLU A 65 -14.866 3.020 3.556 1.00 0.00 C ATOM 902 C GLU A 65 -13.867 2.515 4.602 1.00 0.00 C ATOM 903 O GLU A 65 -13.236 3.290 5.294 1.00 0.00 O ATOM 904 CB GLU A 65 -16.283 3.086 4.135 1.00 0.00 C ATOM 905 CG GLU A 65 -16.519 1.915 5.095 1.00 0.00 C ATOM 906 CD GLU A 65 -16.006 2.284 6.488 1.00 0.00 C ATOM 907 OE1 GLU A 65 -15.783 3.460 6.722 1.00 0.00 O ATOM 908 OE2 GLU A 65 -15.844 1.384 7.295 1.00 0.00 O ATOM 0 H GLU A 65 -15.932 1.886 2.102 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.500 3.997 3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.425 4.030 4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.015 3.057 3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -17.582 1.676 5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.007 1.024 4.732 1.00 0.00 H new ATOM 915 N ARG A 66 -13.716 1.225 4.728 1.00 0.00 N ATOM 916 CA ARG A 66 -12.756 0.690 5.737 1.00 0.00 C ATOM 917 C ARG A 66 -11.334 1.102 5.366 1.00 0.00 C ATOM 918 O ARG A 66 -10.451 1.136 6.197 1.00 0.00 O ATOM 919 CB ARG A 66 -12.906 -0.830 5.674 1.00 0.00 C ATOM 920 CG ARG A 66 -13.344 -1.354 7.043 1.00 0.00 C ATOM 921 CD ARG A 66 -13.311 -2.884 7.038 1.00 0.00 C ATOM 922 NE ARG A 66 -14.395 -3.288 6.100 1.00 0.00 N ATOM 923 CZ ARG A 66 -15.036 -4.409 6.288 1.00 0.00 C ATOM 924 NH1 ARG A 66 -14.375 -5.499 6.572 1.00 0.00 N ATOM 925 NH2 ARG A 66 -16.337 -4.442 6.192 1.00 0.00 N ATOM 0 H ARG A 66 -14.212 0.522 4.180 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.954 1.071 6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.640 -1.103 4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.961 -1.288 5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.684 -0.968 7.820 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.349 -1.002 7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.342 -3.257 6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.482 -3.286 8.037 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.636 -2.689 5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.358 -5.474 6.647 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.876 -6.375 6.719 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.854 -3.591 5.970 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.837 -5.319 6.339 1.00 0.00 H new ATOM 939 N GLU A 67 -11.109 1.424 4.127 1.00 0.00 N ATOM 940 CA GLU A 67 -9.755 1.843 3.703 1.00 0.00 C ATOM 941 C GLU A 67 -9.666 3.373 3.713 1.00 0.00 C ATOM 942 O GLU A 67 -8.665 3.946 3.347 1.00 0.00 O ATOM 943 CB GLU A 67 -9.623 1.300 2.281 1.00 0.00 C ATOM 944 CG GLU A 67 -8.521 2.055 1.548 1.00 0.00 C ATOM 945 CD GLU A 67 -9.118 3.263 0.824 1.00 0.00 C ATOM 946 OE1 GLU A 67 -10.210 3.134 0.298 1.00 0.00 O ATOM 947 OE2 GLU A 67 -8.472 4.298 0.809 1.00 0.00 O ATOM 0 H GLU A 67 -11.811 1.414 3.387 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.965 1.474 4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.393 0.235 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.568 1.409 1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.759 2.383 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.029 1.396 0.832 1.00 0.00 H new ATOM 954 N ILE A 68 -10.718 4.035 4.109 1.00 0.00 N ATOM 955 CA ILE A 68 -10.700 5.526 4.128 1.00 0.00 C ATOM 956 C ILE A 68 -10.243 6.062 5.496 1.00 0.00 C ATOM 957 O ILE A 68 -9.244 6.745 5.596 1.00 0.00 O ATOM 958 CB ILE A 68 -12.146 5.926 3.815 1.00 0.00 C ATOM 959 CG1 ILE A 68 -12.365 5.882 2.297 1.00 0.00 C ATOM 960 CG2 ILE A 68 -12.421 7.343 4.324 1.00 0.00 C ATOM 961 CD1 ILE A 68 -11.757 4.598 1.718 1.00 0.00 C ATOM 0 H ILE A 68 -11.590 3.608 4.421 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.995 5.944 3.409 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.825 5.231 4.309 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.431 5.923 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.908 6.754 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.451 7.618 4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.265 7.379 5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.743 8.043 3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.916 4.574 0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.688 4.575 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.234 3.731 2.175 1.00 0.00 H new ATOM 973 N GLY A 69 -10.969 5.773 6.548 1.00 0.00 N ATOM 974 CA GLY A 69 -10.567 6.288 7.897 1.00 0.00 C ATOM 975 C GLY A 69 -9.348 5.520 8.400 1.00 0.00 C ATOM 976 O GLY A 69 -8.366 6.098 8.823 1.00 0.00 O ATOM 0 H GLY A 69 -11.817 5.207 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.339 7.352 7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.393 6.178 8.600 1.00 0.00 H new ATOM 980 N MET A 70 -9.393 4.224 8.331 1.00 0.00 N ATOM 981 CA MET A 70 -8.229 3.406 8.772 1.00 0.00 C ATOM 982 C MET A 70 -6.977 3.973 8.140 1.00 0.00 C ATOM 983 O MET A 70 -5.965 4.213 8.765 1.00 0.00 O ATOM 984 CB MET A 70 -8.498 2.061 8.126 1.00 0.00 C ATOM 985 CG MET A 70 -8.176 0.916 9.063 1.00 0.00 C ATOM 986 SD MET A 70 -9.031 -0.534 8.431 1.00 0.00 S ATOM 987 CE MET A 70 -8.071 -0.640 6.902 1.00 0.00 C ATOM 0 H MET A 70 -10.190 3.689 7.986 1.00 0.00 H new ATOM 0 HA MET A 70 -8.104 3.371 9.854 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.545 2.004 7.827 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.902 1.967 7.218 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.101 0.742 9.105 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.502 1.144 10.078 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.487 -1.420 6.264 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.112 0.316 6.380 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.035 -0.880 7.139 1.00 0.00 H new ATOM 997 N LEU A 71 -7.086 4.169 6.872 1.00 0.00 N ATOM 998 CA LEU A 71 -5.983 4.706 6.056 1.00 0.00 C ATOM 999 C LEU A 71 -5.800 6.195 6.370 1.00 0.00 C ATOM 1000 O LEU A 71 -4.700 6.710 6.359 1.00 0.00 O ATOM 1001 CB LEU A 71 -6.533 4.448 4.653 1.00 0.00 C ATOM 1002 CG LEU A 71 -5.530 4.771 3.529 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -6.289 5.454 2.388 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -4.432 5.721 4.010 1.00 0.00 C ATOM 0 H LEU A 71 -7.935 3.970 6.342 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.997 4.269 6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.830 3.402 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.433 5.046 4.509 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.065 3.840 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.596 5.691 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.065 4.785 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.747 6.372 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.743 5.926 3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.881 6.655 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.888 5.260 4.834 1.00 0.00 H new ATOM 1016 N GLU A 72 -6.864 6.886 6.676 1.00 0.00 N ATOM 1017 CA GLU A 72 -6.732 8.332 7.011 1.00 0.00 C ATOM 1018 C GLU A 72 -6.411 8.500 8.498 1.00 0.00 C ATOM 1019 O GLU A 72 -6.402 9.595 9.021 1.00 0.00 O ATOM 1020 CB GLU A 72 -8.089 8.957 6.687 1.00 0.00 C ATOM 1021 CG GLU A 72 -8.179 10.341 7.340 1.00 0.00 C ATOM 1022 CD GLU A 72 -8.988 11.279 6.442 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -8.400 11.861 5.544 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -10.181 11.398 6.665 1.00 0.00 O ATOM 0 H GLU A 72 -7.813 6.515 6.708 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.927 8.806 6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.214 9.043 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.893 8.317 7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.650 10.262 8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.179 10.745 7.499 1.00 0.00 H new ATOM 1031 N CYS A 73 -6.134 7.429 9.191 1.00 0.00 N ATOM 1032 CA CYS A 73 -5.810 7.572 10.634 1.00 0.00 C ATOM 1033 C CYS A 73 -4.762 8.672 10.781 1.00 0.00 C ATOM 1034 O CYS A 73 -4.915 9.594 11.559 1.00 0.00 O ATOM 1035 CB CYS A 73 -5.250 6.216 11.060 1.00 0.00 C ATOM 1036 SG CYS A 73 -6.617 5.053 11.294 1.00 0.00 S ATOM 0 H CYS A 73 -6.118 6.477 8.826 1.00 0.00 H new ATOM 0 HA CYS A 73 -6.669 7.843 11.247 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.562 5.839 10.303 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.682 6.318 11.984 1.00 0.00 H new ATOM 0 HG CYS A 73 -6.471 4.044 10.488 1.00 0.00 H new ATOM 1042 N VAL A 74 -3.717 8.602 10.006 1.00 0.00 N ATOM 1043 CA VAL A 74 -2.679 9.664 10.062 1.00 0.00 C ATOM 1044 C VAL A 74 -3.035 10.757 9.049 1.00 0.00 C ATOM 1045 O VAL A 74 -3.079 10.522 7.860 1.00 0.00 O ATOM 1046 CB VAL A 74 -1.365 8.973 9.688 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -1.160 7.751 10.584 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -1.414 8.527 8.226 1.00 0.00 C ATOM 0 H VAL A 74 -3.538 7.854 9.336 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.604 10.134 11.042 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.539 9.671 9.825 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.225 7.258 10.319 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.121 8.067 11.627 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.988 7.056 10.446 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.477 8.036 7.964 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.241 7.830 8.086 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.559 9.397 7.585 1.00 0.00 H new ATOM 1058 N THR A 75 -3.311 11.942 9.517 1.00 0.00 N ATOM 1059 CA THR A 75 -3.690 13.057 8.599 1.00 0.00 C ATOM 1060 C THR A 75 -2.707 13.170 7.429 1.00 0.00 C ATOM 1061 O THR A 75 -1.777 13.943 7.461 1.00 0.00 O ATOM 1062 CB THR A 75 -3.605 14.311 9.471 1.00 0.00 C ATOM 1063 OG1 THR A 75 -4.085 15.429 8.737 1.00 0.00 O ATOM 1064 CG2 THR A 75 -2.146 14.552 9.880 1.00 0.00 C ATOM 0 H THR A 75 -3.290 12.190 10.506 1.00 0.00 H new ATOM 0 HA THR A 75 -4.677 12.905 8.162 1.00 0.00 H new ATOM 0 HB THR A 75 -4.213 14.176 10.365 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.033 16.233 9.295 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.085 15.446 10.501 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.779 13.693 10.442 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.536 14.689 8.987 1.00 0.00 H new ATOM 1072 N ALA A 76 -2.915 12.417 6.389 1.00 0.00 N ATOM 1073 CA ALA A 76 -1.994 12.500 5.222 1.00 0.00 C ATOM 1074 C ALA A 76 -2.756 12.983 3.989 1.00 0.00 C ATOM 1075 O ALA A 76 -2.506 12.539 2.891 1.00 0.00 O ATOM 1076 CB ALA A 76 -1.486 11.073 5.012 1.00 0.00 C ATOM 0 H ALA A 76 -3.680 11.749 6.295 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.176 13.201 5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.799 11.052 4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.967 10.736 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.329 10.412 4.811 1.00 0.00 H new ATOM 1082 N GLU A 77 -3.693 13.878 4.171 1.00 0.00 N ATOM 1083 CA GLU A 77 -4.490 14.395 3.015 1.00 0.00 C ATOM 1084 C GLU A 77 -4.805 13.260 2.042 1.00 0.00 C ATOM 1085 O GLU A 77 -4.558 13.353 0.856 1.00 0.00 O ATOM 1086 CB GLU A 77 -3.640 15.507 2.376 1.00 0.00 C ATOM 1087 CG GLU A 77 -2.615 14.933 1.388 1.00 0.00 C ATOM 1088 CD GLU A 77 -1.212 15.397 1.784 1.00 0.00 C ATOM 1089 OE1 GLU A 77 -1.087 16.524 2.232 1.00 0.00 O ATOM 1090 OE2 GLU A 77 -0.287 14.615 1.633 1.00 0.00 O ATOM 0 H GLU A 77 -3.943 14.276 5.076 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.456 14.797 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.291 16.212 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.122 16.065 3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.663 13.844 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.846 15.262 0.375 1.00 0.00 H new ATOM 1097 N LEU A 78 -5.361 12.199 2.566 1.00 0.00 N ATOM 1098 CA LEU A 78 -5.734 11.007 1.744 1.00 0.00 C ATOM 1099 C LEU A 78 -5.851 11.346 0.258 1.00 0.00 C ATOM 1100 O LEU A 78 -6.651 12.167 -0.146 1.00 0.00 O ATOM 1101 CB LEU A 78 -7.091 10.598 2.298 1.00 0.00 C ATOM 1102 CG LEU A 78 -7.121 9.082 2.491 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -6.636 8.734 3.900 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.550 8.575 2.304 1.00 0.00 C ATOM 0 H LEU A 78 -5.578 12.106 3.558 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.981 10.221 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.276 11.101 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.883 10.905 1.615 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.467 8.610 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.658 7.653 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.616 9.096 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.287 9.205 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.573 7.494 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.203 9.048 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.895 8.821 1.300 1.00 0.00 H new ATOM 1116 N LYS A 79 -5.058 10.711 -0.560 1.00 0.00 N ATOM 1117 CA LYS A 79 -5.118 10.982 -2.022 1.00 0.00 C ATOM 1118 C LYS A 79 -6.245 10.145 -2.632 1.00 0.00 C ATOM 1119 O LYS A 79 -7.043 9.577 -1.914 1.00 0.00 O ATOM 1120 CB LYS A 79 -3.754 10.544 -2.588 1.00 0.00 C ATOM 1121 CG LYS A 79 -2.633 10.760 -1.563 1.00 0.00 C ATOM 1122 CD LYS A 79 -1.506 11.556 -2.214 1.00 0.00 C ATOM 1123 CE LYS A 79 -1.600 13.003 -1.749 1.00 0.00 C ATOM 1124 NZ LYS A 79 -0.889 13.793 -2.792 1.00 0.00 N ATOM 0 H LYS A 79 -4.369 10.014 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.314 12.031 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.795 9.492 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.535 11.108 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.017 11.294 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.258 9.800 -1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.539 11.134 -1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.583 11.502 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.639 13.320 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.136 13.134 -0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.912 14.802 -2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.099 13.475 -2.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.356 13.655 -3.711 1.00 0.00 H new ATOM 1138 N PRO A 80 -6.274 10.082 -3.934 1.00 0.00 N ATOM 1139 CA PRO A 80 -7.312 9.290 -4.618 1.00 0.00 C ATOM 1140 C PRO A 80 -6.908 7.818 -4.619 1.00 0.00 C ATOM 1141 O PRO A 80 -7.734 6.929 -4.667 1.00 0.00 O ATOM 1142 CB PRO A 80 -7.319 9.852 -6.032 1.00 0.00 C ATOM 1143 CG PRO A 80 -5.961 10.450 -6.239 1.00 0.00 C ATOM 1144 CD PRO A 80 -5.360 10.726 -4.883 1.00 0.00 C ATOM 0 HA PRO A 80 -8.292 9.349 -4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.517 9.069 -6.763 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.100 10.603 -6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.327 9.768 -6.805 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.035 11.371 -6.818 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.353 10.315 -4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.283 11.797 -4.694 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.632 7.564 -4.573 1.00 0.00 N ATOM 1153 CA ASN A 81 -5.146 6.156 -4.577 1.00 0.00 C ATOM 1154 C ASN A 81 -4.606 5.748 -3.199 1.00 0.00 C ATOM 1155 O ASN A 81 -4.254 4.604 -2.987 1.00 0.00 O ATOM 1156 CB ASN A 81 -4.025 6.126 -5.613 1.00 0.00 C ATOM 1157 CG ASN A 81 -3.063 7.290 -5.365 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -3.245 8.056 -4.440 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -2.040 7.455 -6.158 1.00 0.00 N ATOM 0 H ASN A 81 -4.900 8.274 -4.533 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.950 5.458 -4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.488 5.179 -5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.443 6.194 -6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.393 8.228 -6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.888 6.811 -6.935 1.00 0.00 H new ATOM 1166 N SER A 82 -4.526 6.655 -2.259 1.00 0.00 N ATOM 1167 CA SER A 82 -3.996 6.270 -0.917 1.00 0.00 C ATOM 1168 C SER A 82 -4.685 5.005 -0.416 1.00 0.00 C ATOM 1169 O SER A 82 -5.806 4.710 -0.775 1.00 0.00 O ATOM 1170 CB SER A 82 -4.345 7.436 0.000 1.00 0.00 C ATOM 1171 OG SER A 82 -3.831 8.639 -0.551 1.00 0.00 O ATOM 0 H SER A 82 -4.801 7.632 -2.360 1.00 0.00 H new ATOM 0 HA SER A 82 -2.925 6.070 -0.950 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.426 7.510 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.927 7.270 0.993 1.00 0.00 H new ATOM 0 HG SER A 82 -2.990 8.870 -0.104 1.00 0.00 H new ATOM 1177 N ARG A 83 -4.019 4.258 0.418 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.626 3.008 0.948 1.00 0.00 C ATOM 1179 C ARG A 83 -3.687 2.387 1.999 1.00 0.00 C ATOM 1180 O ARG A 83 -2.492 2.593 1.970 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.791 2.120 -0.293 1.00 0.00 C ATOM 1182 CG ARG A 83 -6.288 1.982 -0.628 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.537 2.398 -2.079 1.00 0.00 C ATOM 1184 NE ARG A 83 -5.924 1.311 -2.879 1.00 0.00 N ATOM 1185 CZ ARG A 83 -6.227 1.175 -4.140 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -5.825 2.064 -5.007 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -6.931 0.149 -4.535 1.00 0.00 N ATOM 0 H ARG A 83 -3.078 4.460 0.756 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.580 3.156 1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.256 2.554 -1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.356 1.137 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.610 0.952 -0.475 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.879 2.604 0.044 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.602 2.495 -2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.080 3.362 -2.301 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.264 0.668 -2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.274 2.865 -4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.062 1.958 -5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.244 -0.546 -3.857 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.168 0.042 -5.521 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.220 1.639 2.933 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.352 1.013 3.994 1.00 0.00 C ATOM 1203 C LEU A 84 -2.589 -0.147 3.396 1.00 0.00 C ATOM 1204 O LEU A 84 -3.135 -0.895 2.654 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.315 0.472 5.038 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.610 1.524 6.082 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -5.833 1.057 6.840 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -3.423 1.663 7.037 1.00 0.00 C ATOM 0 H LEU A 84 -5.216 1.432 3.012 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.641 1.727 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.242 0.158 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.887 -0.411 5.513 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.783 2.496 5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.086 1.788 7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.670 0.951 6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.625 0.095 7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.645 2.423 7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.241 0.709 7.532 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.536 1.956 6.475 1.00 0.00 H new ATOM 1220 N SER A 85 -1.341 -0.317 3.687 1.00 0.00 N ATOM 1221 CA SER A 85 -0.615 -1.455 3.053 1.00 0.00 C ATOM 1222 C SER A 85 -1.467 -2.745 2.954 1.00 0.00 C ATOM 1223 O SER A 85 -1.153 -3.632 2.186 1.00 0.00 O ATOM 1224 CB SER A 85 0.613 -1.737 3.897 1.00 0.00 C ATOM 1225 OG SER A 85 0.235 -2.487 5.042 1.00 0.00 O ATOM 0 H SER A 85 -0.794 0.264 4.322 1.00 0.00 H new ATOM 0 HA SER A 85 -0.362 -1.171 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.350 -2.289 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.083 -0.801 4.200 1.00 0.00 H new ATOM 0 HG SER A 85 -0.742 -2.545 5.087 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.491 -2.899 3.765 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.271 -4.188 3.748 1.00 0.00 C ATOM 1233 C CYS A 86 -4.700 -4.087 3.189 1.00 0.00 C ATOM 1234 O CYS A 86 -5.610 -4.676 3.735 1.00 0.00 O ATOM 1235 CB CYS A 86 -3.315 -4.592 5.213 1.00 0.00 C ATOM 1236 SG CYS A 86 -1.654 -4.383 5.899 1.00 0.00 S ATOM 0 H CYS A 86 -2.819 -2.199 4.431 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.790 -4.903 3.081 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.032 -3.977 5.757 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.642 -5.627 5.313 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.988 -5.492 5.768 1.00 0.00 H new ATOM 1241 N GLN A 87 -4.922 -3.395 2.111 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.317 -3.347 1.565 1.00 0.00 C ATOM 1243 C GLN A 87 -6.359 -3.728 0.084 1.00 0.00 C ATOM 1244 O GLN A 87 -7.313 -4.322 -0.377 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.862 -1.931 1.798 1.00 0.00 C ATOM 1246 CG GLN A 87 -5.716 -0.954 2.002 1.00 0.00 C ATOM 1247 CD GLN A 87 -4.928 -0.864 0.703 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -5.493 -0.575 -0.319 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -3.649 -1.121 0.696 1.00 0.00 N ATOM 0 H GLN A 87 -4.221 -2.869 1.589 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.941 -4.077 2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.466 -1.621 0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.515 -1.924 2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.099 0.027 2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -5.071 -1.289 2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.173 -1.366 1.564 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.125 -1.077 -0.178 1.00 0.00 H new ATOM 1258 N ILE A 88 -5.345 -3.410 -0.675 1.00 0.00 N ATOM 1259 CA ILE A 88 -5.391 -3.798 -2.122 1.00 0.00 C ATOM 1260 C ILE A 88 -4.879 -5.218 -2.296 1.00 0.00 C ATOM 1261 O ILE A 88 -3.989 -5.665 -1.602 1.00 0.00 O ATOM 1262 CB ILE A 88 -4.466 -2.885 -2.938 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -4.419 -1.487 -2.353 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.989 -2.808 -4.369 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -3.479 -0.582 -3.167 1.00 0.00 C ATOM 0 H ILE A 88 -4.508 -2.913 -0.372 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.423 -3.712 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.459 -3.301 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.422 -1.060 -2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.080 -1.533 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.340 -2.162 -4.959 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.001 -3.806 -4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.000 -2.401 -4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.463 0.415 -2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.472 -1.000 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.835 -0.519 -4.195 1.00 0.00 H new ATOM 1277 N ILE A 89 -5.399 -5.904 -3.255 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.918 -7.272 -3.540 1.00 0.00 C ATOM 1279 C ILE A 89 -4.198 -7.243 -4.882 1.00 0.00 C ATOM 1280 O ILE A 89 -4.431 -6.369 -5.694 1.00 0.00 O ATOM 1281 CB ILE A 89 -6.172 -8.140 -3.581 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.656 -8.403 -2.149 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.848 -9.464 -4.269 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.470 -8.797 -1.258 1.00 0.00 C ATOM 0 H ILE A 89 -6.147 -5.574 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.219 -7.661 -2.799 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.957 -7.627 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.140 -7.512 -1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.402 -9.198 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.742 -10.086 -4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.505 -9.271 -5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.065 -9.981 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.823 -8.982 -0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.004 -9.701 -1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.739 -7.988 -1.246 1.00 0.00 H new ATOM 1296 N MET A 90 -3.310 -8.154 -5.128 1.00 0.00 N ATOM 1297 CA MET A 90 -2.584 -8.115 -6.417 1.00 0.00 C ATOM 1298 C MET A 90 -3.030 -9.241 -7.345 1.00 0.00 C ATOM 1299 O MET A 90 -3.042 -10.400 -6.986 1.00 0.00 O ATOM 1300 CB MET A 90 -1.113 -8.276 -6.053 1.00 0.00 C ATOM 1301 CG MET A 90 -0.303 -8.587 -7.315 1.00 0.00 C ATOM 1302 SD MET A 90 -0.817 -7.489 -8.664 1.00 0.00 S ATOM 1303 CE MET A 90 0.079 -6.022 -8.110 1.00 0.00 C ATOM 0 H MET A 90 -3.057 -8.917 -4.500 1.00 0.00 H new ATOM 0 HA MET A 90 -2.779 -7.186 -6.953 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.742 -7.364 -5.586 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.994 -9.078 -5.325 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.761 -8.459 -7.116 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.450 -9.627 -7.605 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.344 -5.137 -8.585 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.008 -5.930 -7.027 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.130 -6.113 -8.383 1.00 0.00 H new ATOM 1313 N THR A 91 -3.376 -8.891 -8.548 1.00 0.00 N ATOM 1314 CA THR A 91 -3.803 -9.914 -9.541 1.00 0.00 C ATOM 1315 C THR A 91 -2.613 -10.277 -10.432 1.00 0.00 C ATOM 1316 O THR A 91 -1.604 -9.603 -10.413 1.00 0.00 O ATOM 1317 CB THR A 91 -4.908 -9.242 -10.359 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.678 -7.840 -10.397 1.00 0.00 O ATOM 1319 CG2 THR A 91 -6.266 -9.523 -9.715 1.00 0.00 C ATOM 0 H THR A 91 -3.382 -7.930 -8.891 1.00 0.00 H new ATOM 0 HA THR A 91 -4.157 -10.834 -9.076 1.00 0.00 H new ATOM 0 HB THR A 91 -4.903 -9.639 -11.374 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.383 -7.407 -10.922 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.052 -9.044 -10.299 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.440 -10.599 -9.687 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.276 -9.127 -8.699 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.765 -11.331 -11.182 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.675 -11.785 -12.079 1.00 0.00 C ATOM 1329 C PRO A 92 -1.485 -10.820 -13.256 1.00 0.00 C ATOM 1330 O PRO A 92 -0.623 -11.013 -14.091 1.00 0.00 O ATOM 1331 CB PRO A 92 -2.153 -13.154 -12.556 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.641 -13.119 -12.413 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.951 -12.188 -11.268 1.00 0.00 C ATOM 0 HA PRO A 92 -0.706 -11.825 -11.581 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.861 -13.335 -13.590 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.718 -13.954 -11.957 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.109 -12.768 -13.333 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.033 -14.117 -12.216 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.852 -11.605 -11.459 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.116 -12.736 -10.340 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.272 -9.780 -13.331 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.113 -8.812 -14.458 1.00 0.00 C ATOM 1343 C GLU A 93 -1.558 -7.474 -13.948 1.00 0.00 C ATOM 1344 O GLU A 93 -0.721 -6.860 -14.578 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.517 -8.637 -15.048 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.447 -7.982 -14.024 1.00 0.00 C ATOM 1347 CD GLU A 93 -4.298 -6.461 -14.093 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -3.463 -6.002 -14.855 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -5.021 -5.782 -13.385 1.00 0.00 O ATOM 0 H GLU A 93 -3.013 -9.559 -12.666 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.408 -9.172 -15.207 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.467 -8.024 -15.948 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.917 -9.606 -15.345 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.481 -8.265 -14.223 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.207 -8.336 -13.021 1.00 0.00 H new ATOM 1356 N LEU A 94 -2.022 -7.015 -12.817 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.530 -5.717 -12.270 1.00 0.00 C ATOM 1358 C LEU A 94 -0.116 -5.852 -11.710 1.00 0.00 C ATOM 1359 O LEU A 94 0.112 -5.607 -10.550 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.488 -5.399 -11.132 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.264 -4.139 -11.476 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -4.066 -3.684 -10.257 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -2.280 -3.038 -11.889 1.00 0.00 C ATOM 0 H LEU A 94 -2.724 -7.485 -12.246 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.496 -4.946 -13.040 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.173 -6.232 -10.973 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.936 -5.259 -10.203 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.949 -4.342 -12.299 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.623 -2.780 -10.504 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.762 -4.470 -9.965 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.386 -3.477 -9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.832 -2.131 -12.137 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.597 -2.833 -11.065 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.711 -3.366 -12.759 1.00 0.00 H new ATOM 1375 N ASP A 95 0.834 -6.248 -12.496 1.00 0.00 N ATOM 1376 CA ASP A 95 2.203 -6.406 -11.936 1.00 0.00 C ATOM 1377 C ASP A 95 3.106 -5.218 -12.279 1.00 0.00 C ATOM 1378 O ASP A 95 2.988 -4.604 -13.322 1.00 0.00 O ATOM 1379 CB ASP A 95 2.707 -7.731 -12.532 1.00 0.00 C ATOM 1380 CG ASP A 95 4.045 -7.547 -13.263 1.00 0.00 C ATOM 1381 OD1 ASP A 95 4.093 -6.739 -14.175 1.00 0.00 O ATOM 1382 OD2 ASP A 95 4.996 -8.217 -12.895 1.00 0.00 O ATOM 0 H ASP A 95 0.731 -6.467 -13.487 1.00 0.00 H new ATOM 0 HA ASP A 95 2.206 -6.429 -10.846 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.824 -8.467 -11.737 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.964 -8.125 -13.225 1.00 0.00 H new ATOM 1387 N GLY A 96 3.999 -4.887 -11.382 1.00 0.00 N ATOM 1388 CA GLY A 96 4.904 -3.729 -11.610 1.00 0.00 C ATOM 1389 C GLY A 96 4.429 -2.584 -10.729 1.00 0.00 C ATOM 1390 O GLY A 96 4.706 -1.428 -10.983 1.00 0.00 O ATOM 0 H GLY A 96 4.138 -5.375 -10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.933 -3.995 -11.368 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.890 -3.434 -12.659 1.00 0.00 H new ATOM 1394 N ILE A 97 3.678 -2.899 -9.717 1.00 0.00 N ATOM 1395 CA ILE A 97 3.123 -1.824 -8.842 1.00 0.00 C ATOM 1396 C ILE A 97 4.196 -1.207 -7.952 1.00 0.00 C ATOM 1397 O ILE A 97 5.013 -1.880 -7.357 1.00 0.00 O ATOM 1398 CB ILE A 97 1.962 -2.443 -8.003 1.00 0.00 C ATOM 1399 CG1 ILE A 97 2.019 -1.959 -6.546 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.021 -3.969 -7.989 1.00 0.00 C ATOM 1401 CD1 ILE A 97 1.693 -0.470 -6.480 1.00 0.00 C ATOM 0 H ILE A 97 3.422 -3.851 -9.454 1.00 0.00 H new ATOM 0 HA ILE A 97 2.743 -1.008 -9.456 1.00 0.00 H new ATOM 0 HB ILE A 97 1.036 -2.118 -8.477 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.311 -2.522 -5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.010 -2.142 -6.132 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.195 -4.360 -7.394 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.943 -4.345 -9.009 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.967 -4.293 -7.554 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.735 -0.134 -5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.418 0.088 -7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.692 -0.299 -6.876 1.00 0.00 H new ATOM 1413 N VAL A 98 4.165 0.089 -7.860 1.00 0.00 N ATOM 1414 CA VAL A 98 5.139 0.819 -7.011 1.00 0.00 C ATOM 1415 C VAL A 98 4.409 1.419 -5.811 1.00 0.00 C ATOM 1416 O VAL A 98 3.476 2.182 -5.969 1.00 0.00 O ATOM 1417 CB VAL A 98 5.655 1.934 -7.909 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.703 2.756 -7.158 1.00 0.00 C ATOM 1419 CG2 VAL A 98 6.281 1.330 -9.168 1.00 0.00 C ATOM 0 H VAL A 98 3.494 0.683 -8.346 1.00 0.00 H new ATOM 0 HA VAL A 98 5.938 0.182 -6.632 1.00 0.00 H new ATOM 0 HB VAL A 98 4.826 2.582 -8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.071 3.554 -7.803 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.253 3.190 -6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.533 2.111 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.650 2.130 -9.810 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.109 0.679 -8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.530 0.750 -9.705 1.00 0.00 H new ATOM 1429 N VAL A 99 4.810 1.098 -4.615 1.00 0.00 N ATOM 1430 CA VAL A 99 4.101 1.685 -3.442 1.00 0.00 C ATOM 1431 C VAL A 99 4.930 2.763 -2.837 1.00 0.00 C ATOM 1432 O VAL A 99 6.097 2.902 -3.111 1.00 0.00 O ATOM 1433 CB VAL A 99 3.969 0.610 -2.378 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.742 0.890 -1.516 1.00 0.00 C ATOM 1435 CG2 VAL A 99 3.838 -0.732 -3.020 1.00 0.00 C ATOM 0 H VAL A 99 5.582 0.468 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 99 3.135 2.070 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 99 4.861 0.618 -1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.649 0.117 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.849 1.863 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.850 0.890 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.744 -1.497 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.952 -0.746 -3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.722 -0.934 -3.625 1.00 0.00 H new ATOM 1445 N ASP A 100 4.342 3.484 -1.965 1.00 0.00 N ATOM 1446 CA ASP A 100 5.109 4.527 -1.269 1.00 0.00 C ATOM 1447 C ASP A 100 4.396 4.963 -0.002 1.00 0.00 C ATOM 1448 O ASP A 100 3.200 5.163 0.011 1.00 0.00 O ATOM 1449 CB ASP A 100 5.219 5.708 -2.230 1.00 0.00 C ATOM 1450 CG ASP A 100 6.284 5.431 -3.294 1.00 0.00 C ATOM 1451 OD1 ASP A 100 5.934 4.880 -4.324 1.00 0.00 O ATOM 1452 OD2 ASP A 100 7.429 5.781 -3.062 1.00 0.00 O ATOM 0 H ASP A 100 3.361 3.403 -1.697 1.00 0.00 H new ATOM 0 HA ASP A 100 6.091 4.152 -0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.256 5.887 -2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.474 6.612 -1.678 1.00 0.00 H new ATOM 1457 N VAL A 101 5.120 5.164 1.049 1.00 0.00 N ATOM 1458 CA VAL A 101 4.453 5.651 2.294 1.00 0.00 C ATOM 1459 C VAL A 101 4.487 7.183 2.269 1.00 0.00 C ATOM 1460 O VAL A 101 5.486 7.773 1.910 1.00 0.00 O ATOM 1461 CB VAL A 101 5.244 5.086 3.474 1.00 0.00 C ATOM 1462 CG1 VAL A 101 4.409 5.214 4.750 1.00 0.00 C ATOM 1463 CG2 VAL A 101 5.564 3.603 3.236 1.00 0.00 C ATOM 0 H VAL A 101 6.128 5.018 1.112 1.00 0.00 H new ATOM 0 HA VAL A 101 3.414 5.331 2.376 1.00 0.00 H new ATOM 0 HB VAL A 101 6.175 5.644 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.970 4.812 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.182 6.264 4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.479 4.657 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.128 3.212 4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.635 3.043 3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.157 3.500 2.327 1.00 0.00 H new ATOM 1473 N PRO A 102 3.375 7.777 2.602 1.00 0.00 N ATOM 1474 CA PRO A 102 3.256 9.257 2.560 1.00 0.00 C ATOM 1475 C PRO A 102 4.118 9.998 3.582 1.00 0.00 C ATOM 1476 O PRO A 102 4.011 9.802 4.776 1.00 0.00 O ATOM 1477 CB PRO A 102 1.780 9.516 2.846 1.00 0.00 C ATOM 1478 CG PRO A 102 1.296 8.290 3.550 1.00 0.00 C ATOM 1479 CD PRO A 102 2.133 7.140 3.051 1.00 0.00 C ATOM 0 HA PRO A 102 3.608 9.629 1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.649 10.403 3.465 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.224 9.686 1.924 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.395 8.400 4.630 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.240 8.117 3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.320 6.411 3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.639 6.610 2.237 1.00 0.00 H new