USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 716 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 82 HIS : no HE2:sc= -0.626 K(o=-0.41,f=-7.5!) USER MOD Set 1.2: A 94 SER OG : rot -19:sc= 0.211 USER MOD Set 2.1: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 61 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0346 K(o=-0.035,f=-1.7!) USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= -0.0283 (180deg=-0.514) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 141:sc= -1.82 (180deg=-4.35!) USER MOD Single : A 54 LYS NZ :NH3+ 157:sc= -0.034 (180deg=-0.38) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.119 X(o=0.12,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0497) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 156:sc= -0.104 (180deg=-0.614) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00521) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 12:sc= 0.215 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -153:sc= -0.748 (180deg=-2.53) USER MOD Single : A 108 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.107) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -52:sc= 0.407 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 23.413 11.145 14.771 1.00 0.00 N ATOM 2 CA GLY A 37 23.199 12.580 14.809 1.00 0.00 C ATOM 3 C GLY A 37 22.902 13.159 13.440 1.00 0.00 C ATOM 4 O GLY A 37 21.860 12.872 12.851 1.00 0.00 O ATOM 0 HA2 GLY A 37 22.371 12.803 15.482 1.00 0.00 H new ATOM 0 HA3 GLY A 37 24.084 13.065 15.221 1.00 0.00 H new ATOM 8 N SER A 38 23.819 13.976 12.933 1.00 0.00 N ATOM 9 CA SER A 38 23.648 14.601 11.626 1.00 0.00 C ATOM 10 C SER A 38 24.156 13.687 10.516 1.00 0.00 C ATOM 11 O SER A 38 23.399 13.285 9.632 1.00 0.00 O ATOM 12 CB SER A 38 24.385 15.940 11.578 1.00 0.00 C ATOM 13 OG SER A 38 23.693 16.931 12.318 1.00 0.00 O ATOM 0 H SER A 38 24.688 14.221 13.407 1.00 0.00 H new ATOM 0 HA SER A 38 22.583 14.775 11.470 1.00 0.00 H new ATOM 0 HB2 SER A 38 25.391 15.819 11.979 1.00 0.00 H new ATOM 0 HB3 SER A 38 24.491 16.263 10.542 1.00 0.00 H new ATOM 0 HG SER A 38 24.186 17.777 12.273 1.00 0.00 H new ATOM 19 N SER A 39 25.444 13.362 10.569 1.00 0.00 N ATOM 20 CA SER A 39 26.056 12.498 9.566 1.00 0.00 C ATOM 21 C SER A 39 25.223 11.239 9.352 1.00 0.00 C ATOM 22 O SER A 39 24.800 10.943 8.235 1.00 0.00 O ATOM 23 CB SER A 39 27.477 12.118 9.989 1.00 0.00 C ATOM 24 OG SER A 39 28.365 13.211 9.835 1.00 0.00 O ATOM 0 H SER A 39 26.084 13.684 11.295 1.00 0.00 H new ATOM 0 HA SER A 39 26.099 13.048 8.626 1.00 0.00 H new ATOM 0 HB2 SER A 39 27.475 11.791 11.029 1.00 0.00 H new ATOM 0 HB3 SER A 39 27.825 11.276 9.391 1.00 0.00 H new ATOM 0 HG SER A 39 29.265 12.943 10.114 1.00 0.00 H new ATOM 30 N GLY A 40 24.990 10.500 10.432 1.00 0.00 N ATOM 31 CA GLY A 40 24.208 9.281 10.342 1.00 0.00 C ATOM 32 C GLY A 40 23.151 9.189 11.425 1.00 0.00 C ATOM 33 O GLY A 40 23.429 9.441 12.597 1.00 0.00 O ATOM 0 H GLY A 40 25.329 10.724 11.368 1.00 0.00 H new ATOM 0 HA2 GLY A 40 23.728 9.232 9.365 1.00 0.00 H new ATOM 0 HA3 GLY A 40 24.873 8.420 10.413 1.00 0.00 H new ATOM 37 N SER A 41 21.933 8.828 11.032 1.00 0.00 N ATOM 38 CA SER A 41 20.829 8.709 11.977 1.00 0.00 C ATOM 39 C SER A 41 20.436 7.247 12.172 1.00 0.00 C ATOM 40 O SER A 41 20.642 6.415 11.289 1.00 0.00 O ATOM 41 CB SER A 41 19.622 9.512 11.487 1.00 0.00 C ATOM 42 OG SER A 41 18.615 9.576 12.482 1.00 0.00 O ATOM 0 H SER A 41 21.686 8.613 10.066 1.00 0.00 H new ATOM 0 HA SER A 41 21.159 9.110 12.936 1.00 0.00 H new ATOM 0 HB2 SER A 41 19.937 10.520 11.218 1.00 0.00 H new ATOM 0 HB3 SER A 41 19.218 9.053 10.585 1.00 0.00 H new ATOM 0 HG SER A 41 17.855 10.096 12.146 1.00 0.00 H new ATOM 48 N SER A 42 19.869 6.944 13.335 1.00 0.00 N ATOM 49 CA SER A 42 19.450 5.583 13.649 1.00 0.00 C ATOM 50 C SER A 42 18.271 5.163 12.777 1.00 0.00 C ATOM 51 O SER A 42 18.279 4.088 12.178 1.00 0.00 O ATOM 52 CB SER A 42 19.071 5.472 15.127 1.00 0.00 C ATOM 53 OG SER A 42 18.558 4.185 15.427 1.00 0.00 O ATOM 0 H SER A 42 19.689 7.622 14.075 1.00 0.00 H new ATOM 0 HA SER A 42 20.287 4.915 13.445 1.00 0.00 H new ATOM 0 HB2 SER A 42 19.946 5.672 15.746 1.00 0.00 H new ATOM 0 HB3 SER A 42 18.327 6.230 15.373 1.00 0.00 H new ATOM 0 HG SER A 42 18.325 4.139 16.378 1.00 0.00 H new ATOM 59 N GLY A 43 17.256 6.019 12.711 1.00 0.00 N ATOM 60 CA GLY A 43 16.083 5.720 11.911 1.00 0.00 C ATOM 61 C GLY A 43 15.053 6.831 11.954 1.00 0.00 C ATOM 62 O GLY A 43 14.737 7.352 13.023 1.00 0.00 O ATOM 0 H GLY A 43 17.225 6.915 13.198 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.386 5.549 10.878 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.630 4.795 12.268 1.00 0.00 H new ATOM 66 N GLN A 44 14.529 7.195 10.788 1.00 0.00 N ATOM 67 CA GLN A 44 13.531 8.254 10.697 1.00 0.00 C ATOM 68 C GLN A 44 12.435 7.885 9.702 1.00 0.00 C ATOM 69 O GLN A 44 12.586 6.952 8.913 1.00 0.00 O ATOM 70 CB GLN A 44 14.189 9.571 10.282 1.00 0.00 C ATOM 71 CG GLN A 44 14.687 10.398 11.457 1.00 0.00 C ATOM 72 CD GLN A 44 13.583 11.202 12.114 1.00 0.00 C ATOM 73 OE1 GLN A 44 12.640 10.642 12.674 1.00 0.00 O ATOM 74 NE2 GLN A 44 13.695 12.524 12.051 1.00 0.00 N ATOM 0 H GLN A 44 14.779 6.772 9.894 1.00 0.00 H new ATOM 0 HA GLN A 44 13.078 8.376 11.681 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.027 9.356 9.619 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.473 10.161 9.710 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.139 9.737 12.196 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.470 11.075 11.114 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.493 12.946 11.577 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.983 13.117 12.477 1.00 0.00 H new ATOM 83 N LYS A 45 11.331 8.623 9.745 1.00 0.00 N ATOM 84 CA LYS A 45 10.209 8.375 8.847 1.00 0.00 C ATOM 85 C LYS A 45 10.353 9.182 7.561 1.00 0.00 C ATOM 86 O LYS A 45 10.149 8.662 6.464 1.00 0.00 O ATOM 87 CB LYS A 45 8.889 8.726 9.538 1.00 0.00 C ATOM 88 CG LYS A 45 8.577 7.847 10.736 1.00 0.00 C ATOM 89 CD LYS A 45 7.107 7.919 11.112 1.00 0.00 C ATOM 90 CE LYS A 45 6.894 7.620 12.589 1.00 0.00 C ATOM 91 NZ LYS A 45 7.332 6.242 12.944 1.00 0.00 N ATOM 0 H LYS A 45 11.189 9.398 10.393 1.00 0.00 H new ATOM 0 HA LYS A 45 10.207 7.315 8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.923 9.767 9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.077 8.643 8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.846 6.815 10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.186 8.157 11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.719 8.911 10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.541 7.208 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.447 8.343 13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.839 7.741 12.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.866 5.946 13.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.073 5.587 12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.363 6.229 13.077 1.00 0.00 H new ATOM 105 N VAL A 46 10.706 10.456 7.703 1.00 0.00 N ATOM 106 CA VAL A 46 10.880 11.334 6.552 1.00 0.00 C ATOM 107 C VAL A 46 11.479 10.579 5.370 1.00 0.00 C ATOM 108 O VAL A 46 10.950 10.624 4.260 1.00 0.00 O ATOM 109 CB VAL A 46 11.783 12.534 6.893 1.00 0.00 C ATOM 110 CG1 VAL A 46 12.041 13.377 5.654 1.00 0.00 C ATOM 111 CG2 VAL A 46 11.160 13.372 7.999 1.00 0.00 C ATOM 0 H VAL A 46 10.877 10.903 8.604 1.00 0.00 H new ATOM 0 HA VAL A 46 9.890 11.700 6.280 1.00 0.00 H new ATOM 0 HB VAL A 46 12.741 12.156 7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.681 14.220 5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.534 12.768 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.094 13.748 5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.811 14.216 8.227 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.188 13.742 7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.033 12.760 8.892 1.00 0.00 H new ATOM 121 N GLU A 47 12.587 9.887 5.618 1.00 0.00 N ATOM 122 CA GLU A 47 13.259 9.123 4.574 1.00 0.00 C ATOM 123 C GLU A 47 12.275 8.207 3.852 1.00 0.00 C ATOM 124 O GLU A 47 12.156 8.247 2.627 1.00 0.00 O ATOM 125 CB GLU A 47 14.400 8.296 5.170 1.00 0.00 C ATOM 126 CG GLU A 47 15.607 9.126 5.572 1.00 0.00 C ATOM 127 CD GLU A 47 16.585 8.353 6.436 1.00 0.00 C ATOM 128 OE1 GLU A 47 16.127 7.604 7.324 1.00 0.00 O ATOM 129 OE2 GLU A 47 17.807 8.496 6.223 1.00 0.00 O ATOM 0 H GLU A 47 13.037 9.840 6.532 1.00 0.00 H new ATOM 0 HA GLU A 47 13.670 9.828 3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.031 7.760 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.711 7.545 4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.118 9.475 4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.271 10.011 6.113 1.00 0.00 H new ATOM 136 N PHE A 48 11.573 7.380 4.620 1.00 0.00 N ATOM 137 CA PHE A 48 10.600 6.452 4.054 1.00 0.00 C ATOM 138 C PHE A 48 9.559 7.195 3.223 1.00 0.00 C ATOM 139 O PHE A 48 9.292 6.834 2.077 1.00 0.00 O ATOM 140 CB PHE A 48 9.911 5.662 5.168 1.00 0.00 C ATOM 141 CG PHE A 48 8.834 4.739 4.671 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.151 3.648 3.878 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.507 4.963 4.998 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.162 2.799 3.418 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.514 4.116 4.541 1.00 0.00 C ATOM 146 CZ PHE A 48 6.842 3.032 3.751 1.00 0.00 C ATOM 0 H PHE A 48 11.660 7.333 5.635 1.00 0.00 H new ATOM 0 HA PHE A 48 11.132 5.759 3.402 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.659 5.079 5.705 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.478 6.361 5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.182 3.459 3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.245 5.808 5.617 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.421 1.953 2.798 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.483 4.302 4.802 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.068 2.368 3.394 1.00 0.00 H new ATOM 156 N ARG A 49 8.974 8.234 3.809 1.00 0.00 N ATOM 157 CA ARG A 49 7.961 9.028 3.124 1.00 0.00 C ATOM 158 C ARG A 49 8.406 9.371 1.706 1.00 0.00 C ATOM 159 O ARG A 49 7.664 9.168 0.744 1.00 0.00 O ATOM 160 CB ARG A 49 7.674 10.312 3.905 1.00 0.00 C ATOM 161 CG ARG A 49 6.361 10.976 3.523 1.00 0.00 C ATOM 162 CD ARG A 49 5.756 11.729 4.698 1.00 0.00 C ATOM 163 NE ARG A 49 4.731 12.677 4.270 1.00 0.00 N ATOM 164 CZ ARG A 49 4.243 13.634 5.052 1.00 0.00 C ATOM 165 NH1 ARG A 49 4.685 13.770 6.294 1.00 0.00 N ATOM 166 NH2 ARG A 49 3.311 14.458 4.591 1.00 0.00 N ATOM 0 H ARG A 49 9.184 8.546 4.757 1.00 0.00 H new ATOM 0 HA ARG A 49 7.048 8.435 3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.659 10.084 4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.489 11.017 3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.528 11.665 2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.658 10.220 3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.321 11.017 5.400 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.543 12.262 5.231 1.00 0.00 H new ATOM 0 HE ARG A 49 4.370 12.600 3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.402 13.139 6.652 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.308 14.506 6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.968 14.357 3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.937 15.192 5.192 1.00 0.00 H new ATOM 180 N LYS A 50 9.622 9.892 1.582 1.00 0.00 N ATOM 181 CA LYS A 50 10.168 10.262 0.282 1.00 0.00 C ATOM 182 C LYS A 50 10.170 9.069 -0.668 1.00 0.00 C ATOM 183 O LYS A 50 9.616 9.137 -1.765 1.00 0.00 O ATOM 184 CB LYS A 50 11.590 10.805 0.439 1.00 0.00 C ATOM 185 CG LYS A 50 11.649 12.183 1.075 1.00 0.00 C ATOM 186 CD LYS A 50 13.065 12.734 1.083 1.00 0.00 C ATOM 187 CE LYS A 50 13.098 14.180 1.553 1.00 0.00 C ATOM 188 NZ LYS A 50 14.423 14.547 2.125 1.00 0.00 N ATOM 0 H LYS A 50 10.249 10.068 2.367 1.00 0.00 H new ATOM 0 HA LYS A 50 9.533 11.040 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.171 10.109 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.064 10.846 -0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.996 12.864 0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.273 12.129 2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.690 12.124 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.489 12.666 0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.869 14.839 0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.323 14.336 2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.405 15.540 2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.631 13.935 2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.160 14.423 1.402 1.00 0.00 H new ATOM 202 N ARG A 51 10.794 7.977 -0.238 1.00 0.00 N ATOM 203 CA ARG A 51 10.867 6.769 -1.050 1.00 0.00 C ATOM 204 C ARG A 51 9.486 6.380 -1.571 1.00 0.00 C ATOM 205 O ARG A 51 9.322 6.071 -2.751 1.00 0.00 O ATOM 206 CB ARG A 51 11.460 5.617 -0.237 1.00 0.00 C ATOM 207 CG ARG A 51 11.837 4.409 -1.079 1.00 0.00 C ATOM 208 CD ARG A 51 12.163 3.204 -0.209 1.00 0.00 C ATOM 209 NE ARG A 51 12.237 1.971 -0.988 1.00 0.00 N ATOM 210 CZ ARG A 51 13.322 1.583 -1.648 1.00 0.00 C ATOM 211 NH1 ARG A 51 14.419 2.327 -1.624 1.00 0.00 N ATOM 212 NH2 ARG A 51 13.311 0.447 -2.334 1.00 0.00 N ATOM 0 H ARG A 51 11.256 7.904 0.668 1.00 0.00 H new ATOM 0 HA ARG A 51 11.514 6.973 -1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.345 5.973 0.290 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.740 5.310 0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.016 4.162 -1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.697 4.653 -1.702 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.113 3.370 0.299 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.402 3.099 0.565 1.00 0.00 H new ATOM 0 HE ARG A 51 11.410 1.375 -1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.431 3.200 -1.097 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.251 2.026 -2.132 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.469 -0.128 -2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.145 0.149 -2.841 1.00 0.00 H new ATOM 226 N MET A 52 8.498 6.397 -0.683 1.00 0.00 N ATOM 227 CA MET A 52 7.132 6.047 -1.054 1.00 0.00 C ATOM 228 C MET A 52 6.615 6.966 -2.156 1.00 0.00 C ATOM 229 O MET A 52 5.993 6.510 -3.115 1.00 0.00 O ATOM 230 CB MET A 52 6.213 6.128 0.167 1.00 0.00 C ATOM 231 CG MET A 52 6.628 5.208 1.302 1.00 0.00 C ATOM 232 SD MET A 52 6.558 3.465 0.845 1.00 0.00 S ATOM 233 CE MET A 52 8.173 3.244 0.103 1.00 0.00 C ATOM 0 H MET A 52 8.617 6.649 0.298 1.00 0.00 H new ATOM 0 HA MET A 52 7.135 5.024 -1.431 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.196 7.155 0.531 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.196 5.880 -0.137 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.642 5.457 1.614 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.979 5.381 2.160 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.574 2.271 0.387 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.085 3.298 -0.982 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.844 4.029 0.452 1.00 0.00 H new ATOM 243 N GLU A 53 6.876 8.262 -2.011 1.00 0.00 N ATOM 244 CA GLU A 53 6.435 9.244 -2.995 1.00 0.00 C ATOM 245 C GLU A 53 6.911 8.864 -4.394 1.00 0.00 C ATOM 246 O GLU A 53 6.144 8.905 -5.356 1.00 0.00 O ATOM 247 CB GLU A 53 6.955 10.635 -2.628 1.00 0.00 C ATOM 248 CG GLU A 53 6.360 11.188 -1.343 1.00 0.00 C ATOM 249 CD GLU A 53 6.345 12.704 -1.312 1.00 0.00 C ATOM 250 OE1 GLU A 53 7.417 13.311 -1.520 1.00 0.00 O ATOM 251 OE2 GLU A 53 5.264 13.283 -1.079 1.00 0.00 O ATOM 0 H GLU A 53 7.390 8.656 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 53 5.345 9.259 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.040 10.593 -2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.736 11.323 -3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.342 10.816 -1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.932 10.817 -0.493 1.00 0.00 H new ATOM 258 N LYS A 54 8.183 8.494 -4.499 1.00 0.00 N ATOM 259 CA LYS A 54 8.764 8.105 -5.779 1.00 0.00 C ATOM 260 C LYS A 54 8.158 6.797 -6.277 1.00 0.00 C ATOM 261 O LYS A 54 7.770 6.685 -7.439 1.00 0.00 O ATOM 262 CB LYS A 54 10.282 7.960 -5.650 1.00 0.00 C ATOM 263 CG LYS A 54 11.009 7.970 -6.984 1.00 0.00 C ATOM 264 CD LYS A 54 11.046 9.364 -7.589 1.00 0.00 C ATOM 265 CE LYS A 54 11.214 9.312 -9.099 1.00 0.00 C ATOM 266 NZ LYS A 54 10.011 8.746 -9.772 1.00 0.00 N ATOM 0 H LYS A 54 8.832 8.455 -3.713 1.00 0.00 H new ATOM 0 HA LYS A 54 8.540 8.887 -6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.665 8.771 -5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.507 7.029 -5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.027 7.605 -6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.515 7.286 -7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.126 9.893 -7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.867 9.931 -7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.403 10.316 -9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.087 8.708 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.981 9.070 -10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.057 7.707 -9.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.154 9.065 -9.277 1.00 0.00 H new ATOM 280 N GLU A 55 8.080 5.811 -5.389 1.00 0.00 N ATOM 281 CA GLU A 55 7.520 4.510 -5.739 1.00 0.00 C ATOM 282 C GLU A 55 6.086 4.653 -6.242 1.00 0.00 C ATOM 283 O GLU A 55 5.772 4.276 -7.371 1.00 0.00 O ATOM 284 CB GLU A 55 7.558 3.572 -4.532 1.00 0.00 C ATOM 285 CG GLU A 55 8.964 3.237 -4.065 1.00 0.00 C ATOM 286 CD GLU A 55 9.067 1.843 -3.476 1.00 0.00 C ATOM 287 OE1 GLU A 55 8.809 0.868 -4.213 1.00 0.00 O ATOM 288 OE2 GLU A 55 9.405 1.727 -2.280 1.00 0.00 O ATOM 0 H GLU A 55 8.397 5.888 -4.423 1.00 0.00 H new ATOM 0 HA GLU A 55 8.127 4.085 -6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.011 4.031 -3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.038 2.648 -4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.652 3.324 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.278 3.967 -3.319 1.00 0.00 H new ATOM 295 N VAL A 56 5.220 5.200 -5.395 1.00 0.00 N ATOM 296 CA VAL A 56 3.820 5.393 -5.752 1.00 0.00 C ATOM 297 C VAL A 56 3.688 6.061 -7.117 1.00 0.00 C ATOM 298 O VAL A 56 3.091 5.502 -8.037 1.00 0.00 O ATOM 299 CB VAL A 56 3.085 6.247 -4.702 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.678 6.580 -5.173 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.051 5.529 -3.361 1.00 0.00 C ATOM 0 H VAL A 56 5.464 5.517 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 56 3.364 4.404 -5.789 1.00 0.00 H new ATOM 0 HB VAL A 56 3.630 7.182 -4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.175 7.184 -4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.730 7.138 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.119 5.657 -5.331 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.528 6.147 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.531 4.578 -3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.070 5.348 -3.019 1.00 0.00 H new ATOM 311 N SER A 57 4.249 7.259 -7.239 1.00 0.00 N ATOM 312 CA SER A 57 4.191 8.006 -8.491 1.00 0.00 C ATOM 313 C SER A 57 4.596 7.124 -9.668 1.00 0.00 C ATOM 314 O SER A 57 3.817 6.917 -10.599 1.00 0.00 O ATOM 315 CB SER A 57 5.103 9.232 -8.420 1.00 0.00 C ATOM 316 OG SER A 57 4.653 10.253 -9.294 1.00 0.00 O ATOM 0 H SER A 57 4.749 7.734 -6.487 1.00 0.00 H new ATOM 0 HA SER A 57 3.163 8.335 -8.643 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.131 9.610 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.122 8.947 -8.682 1.00 0.00 H new ATOM 0 HG SER A 57 5.251 11.026 -9.229 1.00 0.00 H new ATOM 322 N ASP A 58 5.819 6.607 -9.619 1.00 0.00 N ATOM 323 CA ASP A 58 6.328 5.747 -10.681 1.00 0.00 C ATOM 324 C ASP A 58 5.264 4.751 -11.131 1.00 0.00 C ATOM 325 O ASP A 58 5.076 4.526 -12.327 1.00 0.00 O ATOM 326 CB ASP A 58 7.575 4.999 -10.206 1.00 0.00 C ATOM 327 CG ASP A 58 8.431 4.511 -11.358 1.00 0.00 C ATOM 328 OD1 ASP A 58 9.278 5.292 -11.841 1.00 0.00 O ATOM 329 OD2 ASP A 58 8.255 3.347 -11.775 1.00 0.00 O ATOM 0 H ASP A 58 6.476 6.768 -8.856 1.00 0.00 H new ATOM 0 HA ASP A 58 6.592 6.377 -11.530 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.168 5.655 -9.569 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.274 4.148 -9.595 1.00 0.00 H new ATOM 334 N PHE A 59 4.570 4.157 -10.166 1.00 0.00 N ATOM 335 CA PHE A 59 3.525 3.184 -10.463 1.00 0.00 C ATOM 336 C PHE A 59 2.368 3.839 -11.212 1.00 0.00 C ATOM 337 O PHE A 59 1.907 3.328 -12.233 1.00 0.00 O ATOM 338 CB PHE A 59 3.013 2.544 -9.171 1.00 0.00 C ATOM 339 CG PHE A 59 1.659 1.909 -9.313 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.509 2.680 -9.269 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.537 0.540 -9.489 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.738 2.099 -9.399 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.292 -0.047 -9.620 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.846 0.733 -9.574 1.00 0.00 C ATOM 0 H PHE A 59 4.712 4.332 -9.171 1.00 0.00 H new ATOM 0 HA PHE A 59 3.955 2.410 -11.099 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.727 1.789 -8.841 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.969 3.304 -8.391 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.588 3.748 -9.131 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.424 -0.075 -9.524 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.627 2.712 -9.364 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.210 -1.115 -9.758 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.819 0.276 -9.675 1.00 0.00 H new ATOM 354 N ILE A 60 1.905 4.973 -10.698 1.00 0.00 N ATOM 355 CA ILE A 60 0.803 5.699 -11.318 1.00 0.00 C ATOM 356 C ILE A 60 1.034 5.874 -12.815 1.00 0.00 C ATOM 357 O ILE A 60 0.184 5.514 -13.629 1.00 0.00 O ATOM 358 CB ILE A 60 0.608 7.084 -10.674 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.302 6.939 -9.182 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.506 7.843 -11.378 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.228 8.260 -8.449 1.00 0.00 C ATOM 0 H ILE A 60 2.276 5.409 -9.854 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.096 5.104 -11.159 1.00 0.00 H new ATOM 0 HB ILE A 60 1.532 7.652 -10.782 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.645 6.413 -9.063 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.071 6.319 -8.720 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.632 8.820 -10.911 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.250 7.973 -12.429 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.436 7.280 -11.299 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.008 8.080 -7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.183 8.779 -8.537 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.560 8.874 -8.885 1.00 0.00 H new ATOM 373 N GLN A 61 2.189 6.428 -13.169 1.00 0.00 N ATOM 374 CA GLN A 61 2.531 6.650 -14.569 1.00 0.00 C ATOM 375 C GLN A 61 2.574 5.331 -15.334 1.00 0.00 C ATOM 376 O GLN A 61 2.145 5.257 -16.486 1.00 0.00 O ATOM 377 CB GLN A 61 3.881 7.361 -14.679 1.00 0.00 C ATOM 378 CG GLN A 61 3.934 8.685 -13.934 1.00 0.00 C ATOM 379 CD GLN A 61 5.317 9.305 -13.943 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.097 9.096 -14.873 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.628 10.074 -12.907 1.00 0.00 N ATOM 0 H GLN A 61 2.903 6.731 -12.507 1.00 0.00 H new ATOM 0 HA GLN A 61 1.759 7.280 -15.010 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.660 6.705 -14.292 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.105 7.536 -15.731 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.226 9.380 -14.385 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.616 8.530 -12.903 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.951 10.220 -12.158 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.544 10.519 -12.859 1.00 0.00 H new ATOM 390 N ASP A 62 3.094 4.294 -14.688 1.00 0.00 N ATOM 391 CA ASP A 62 3.193 2.978 -15.307 1.00 0.00 C ATOM 392 C ASP A 62 1.809 2.435 -15.652 1.00 0.00 C ATOM 393 O ASP A 62 0.983 2.207 -14.768 1.00 0.00 O ATOM 394 CB ASP A 62 3.919 2.005 -14.376 1.00 0.00 C ATOM 395 CG ASP A 62 5.425 2.165 -14.433 1.00 0.00 C ATOM 396 OD1 ASP A 62 5.892 3.279 -14.749 1.00 0.00 O ATOM 397 OD2 ASP A 62 6.138 1.175 -14.162 1.00 0.00 O ATOM 0 H ASP A 62 3.454 4.339 -13.735 1.00 0.00 H new ATOM 0 HA ASP A 62 3.765 3.080 -16.229 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.578 2.163 -13.353 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.655 0.983 -14.646 1.00 0.00 H new ATOM 402 N SER A 63 1.564 2.231 -16.942 1.00 0.00 N ATOM 403 CA SER A 63 0.279 1.719 -17.404 1.00 0.00 C ATOM 404 C SER A 63 0.234 0.197 -17.308 1.00 0.00 C ATOM 405 O SER A 63 -0.726 -0.375 -16.794 1.00 0.00 O ATOM 406 CB SER A 63 0.020 2.158 -18.847 1.00 0.00 C ATOM 407 OG SER A 63 -1.340 1.975 -19.199 1.00 0.00 O ATOM 0 H SER A 63 2.238 2.412 -17.686 1.00 0.00 H new ATOM 0 HA SER A 63 -0.500 2.129 -16.761 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.292 3.207 -18.966 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.654 1.586 -19.524 1.00 0.00 H new ATOM 0 HG SER A 63 -1.480 2.264 -20.125 1.00 0.00 H new ATOM 413 N GLY A 64 1.281 -0.453 -17.807 1.00 0.00 N ATOM 414 CA GLY A 64 1.342 -1.902 -17.769 1.00 0.00 C ATOM 415 C GLY A 64 0.955 -2.463 -16.415 1.00 0.00 C ATOM 416 O GLY A 64 0.273 -3.484 -16.331 1.00 0.00 O ATOM 0 H GLY A 64 2.088 -0.001 -18.237 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.679 -2.311 -18.531 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.352 -2.227 -18.018 1.00 0.00 H new ATOM 420 N GLN A 65 1.393 -1.795 -15.352 1.00 0.00 N ATOM 421 CA GLN A 65 1.089 -2.235 -13.996 1.00 0.00 C ATOM 422 C GLN A 65 -0.234 -1.647 -13.516 1.00 0.00 C ATOM 423 O GLN A 65 -0.403 -0.428 -13.472 1.00 0.00 O ATOM 424 CB GLN A 65 2.216 -1.832 -13.042 1.00 0.00 C ATOM 425 CG GLN A 65 3.547 -2.495 -13.359 1.00 0.00 C ATOM 426 CD GLN A 65 4.580 -2.277 -12.271 1.00 0.00 C ATOM 427 OE1 GLN A 65 4.727 -3.096 -11.364 1.00 0.00 O ATOM 428 NE2 GLN A 65 5.305 -1.167 -12.357 1.00 0.00 N ATOM 0 H GLN A 65 1.959 -0.948 -15.404 1.00 0.00 H new ATOM 0 HA GLN A 65 1.000 -3.321 -14.005 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.341 -0.750 -13.077 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.926 -2.087 -12.022 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.392 -3.565 -13.499 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.929 -2.103 -14.302 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.150 -0.515 -13.126 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.017 -0.967 -11.654 1.00 0.00 H new ATOM 437 N ILE A 66 -1.168 -2.521 -13.156 1.00 0.00 N ATOM 438 CA ILE A 66 -2.475 -2.088 -12.679 1.00 0.00 C ATOM 439 C ILE A 66 -2.503 -2.001 -11.157 1.00 0.00 C ATOM 440 O ILE A 66 -3.205 -1.167 -10.584 1.00 0.00 O ATOM 441 CB ILE A 66 -3.590 -3.041 -13.149 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.345 -4.452 -12.611 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.671 -3.054 -14.668 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.573 -5.335 -12.647 1.00 0.00 C ATOM 0 H ILE A 66 -1.044 -3.533 -13.186 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.653 -1.099 -13.100 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.542 -2.683 -12.757 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.553 -4.922 -13.194 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.987 -4.383 -11.584 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.464 -3.732 -14.984 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.888 -2.049 -15.029 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.720 -3.390 -15.080 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.325 -6.320 -12.251 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.361 -4.888 -12.041 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.919 -5.435 -13.676 1.00 0.00 H new ATOM 456 N LYS A 67 -1.735 -2.868 -10.506 1.00 0.00 N ATOM 457 CA LYS A 67 -1.668 -2.889 -9.050 1.00 0.00 C ATOM 458 C LYS A 67 -0.237 -3.117 -8.574 1.00 0.00 C ATOM 459 O LYS A 67 0.642 -3.465 -9.362 1.00 0.00 O ATOM 460 CB LYS A 67 -2.583 -3.983 -8.492 1.00 0.00 C ATOM 461 CG LYS A 67 -2.114 -5.391 -8.816 1.00 0.00 C ATOM 462 CD LYS A 67 -2.885 -6.431 -8.021 1.00 0.00 C ATOM 463 CE LYS A 67 -4.126 -6.896 -8.767 1.00 0.00 C ATOM 464 NZ LYS A 67 -4.689 -8.145 -8.183 1.00 0.00 N ATOM 0 H LYS A 67 -1.150 -3.566 -10.965 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.004 -1.920 -8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.651 -3.871 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.588 -3.843 -8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.238 -5.581 -9.882 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.050 -5.480 -8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.240 -7.286 -7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.174 -6.013 -7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.881 -6.110 -8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.878 -7.065 -9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.533 -8.429 -8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.978 -8.902 -8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.950 -7.977 -7.190 1.00 0.00 H new ATOM 478 N LYS A 68 -0.010 -2.921 -7.279 1.00 0.00 N ATOM 479 CA LYS A 68 1.313 -3.108 -6.697 1.00 0.00 C ATOM 480 C LYS A 68 1.209 -3.579 -5.250 1.00 0.00 C ATOM 481 O LYS A 68 0.596 -2.917 -4.413 1.00 0.00 O ATOM 482 CB LYS A 68 2.111 -1.803 -6.763 1.00 0.00 C ATOM 483 CG LYS A 68 3.444 -1.868 -6.039 1.00 0.00 C ATOM 484 CD LYS A 68 4.153 -0.524 -6.054 1.00 0.00 C ATOM 485 CE LYS A 68 5.578 -0.640 -5.535 1.00 0.00 C ATOM 486 NZ LYS A 68 6.506 -1.165 -6.574 1.00 0.00 N ATOM 0 H LYS A 68 -0.726 -2.632 -6.613 1.00 0.00 H new ATOM 0 HA LYS A 68 1.831 -3.874 -7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.287 -1.547 -7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.513 -0.999 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.284 -2.185 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.078 -2.620 -6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.166 -0.129 -7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.599 0.188 -5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.923 0.338 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.596 -1.298 -4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.467 -1.229 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.191 -2.109 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.509 -0.524 -7.393 1.00 0.00 H new ATOM 500 N LYS A 69 1.814 -4.727 -4.962 1.00 0.00 N ATOM 501 CA LYS A 69 1.793 -5.286 -3.615 1.00 0.00 C ATOM 502 C LYS A 69 3.047 -4.892 -2.842 1.00 0.00 C ATOM 503 O LYS A 69 4.160 -5.268 -3.212 1.00 0.00 O ATOM 504 CB LYS A 69 1.676 -6.811 -3.677 1.00 0.00 C ATOM 505 CG LYS A 69 1.756 -7.482 -2.316 1.00 0.00 C ATOM 506 CD LYS A 69 1.940 -8.985 -2.446 1.00 0.00 C ATOM 507 CE LYS A 69 2.434 -9.600 -1.145 1.00 0.00 C ATOM 508 NZ LYS A 69 3.877 -9.317 -0.911 1.00 0.00 N ATOM 0 H LYS A 69 2.325 -5.288 -5.643 1.00 0.00 H new ATOM 0 HA LYS A 69 0.926 -4.881 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.730 -7.076 -4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.470 -7.203 -4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.586 -7.060 -1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.847 -7.273 -1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.994 -9.445 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.652 -9.198 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.848 -9.210 -0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.275 -10.678 -1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.222 -9.900 -0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.419 -9.542 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.000 -8.311 -0.677 1.00 0.00 H new ATOM 522 N PHE A 70 2.860 -4.134 -1.767 1.00 0.00 N ATOM 523 CA PHE A 70 3.977 -3.690 -0.941 1.00 0.00 C ATOM 524 C PHE A 70 4.332 -4.742 0.105 1.00 0.00 C ATOM 525 O PHE A 70 3.590 -5.702 0.311 1.00 0.00 O ATOM 526 CB PHE A 70 3.636 -2.366 -0.254 1.00 0.00 C ATOM 527 CG PHE A 70 3.702 -1.179 -1.173 1.00 0.00 C ATOM 528 CD1 PHE A 70 4.895 -0.504 -1.369 1.00 0.00 C ATOM 529 CD2 PHE A 70 2.570 -0.739 -1.840 1.00 0.00 C ATOM 530 CE1 PHE A 70 4.960 0.588 -2.214 1.00 0.00 C ATOM 531 CE2 PHE A 70 2.628 0.352 -2.686 1.00 0.00 C ATOM 532 CZ PHE A 70 3.824 1.017 -2.873 1.00 0.00 C ATOM 0 H PHE A 70 1.946 -3.814 -1.447 1.00 0.00 H new ATOM 0 HA PHE A 70 4.840 -3.543 -1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.634 -2.433 0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.323 -2.210 0.578 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.786 -0.835 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.632 -1.255 -1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.897 1.105 -2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.739 0.685 -3.201 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.871 1.871 -3.533 1.00 0.00 H new ATOM 542 N GLN A 71 5.472 -4.553 0.763 1.00 0.00 N ATOM 543 CA GLN A 71 5.926 -5.486 1.787 1.00 0.00 C ATOM 544 C GLN A 71 6.021 -4.800 3.145 1.00 0.00 C ATOM 545 O GLN A 71 6.475 -3.661 3.263 1.00 0.00 O ATOM 546 CB GLN A 71 7.285 -6.075 1.404 1.00 0.00 C ATOM 547 CG GLN A 71 7.230 -6.997 0.197 1.00 0.00 C ATOM 548 CD GLN A 71 8.540 -7.039 -0.566 1.00 0.00 C ATOM 549 OE1 GLN A 71 9.255 -8.041 -0.538 1.00 0.00 O ATOM 550 NE2 GLN A 71 8.861 -5.949 -1.252 1.00 0.00 N ATOM 0 H GLN A 71 6.097 -3.763 0.605 1.00 0.00 H new ATOM 0 HA GLN A 71 5.195 -6.292 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.979 -5.261 1.197 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.685 -6.627 2.254 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.973 -8.004 0.525 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.435 -6.667 -0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.238 -5.141 -1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.731 -5.919 -1.784 1.00 0.00 H new ATOM 559 N PRO A 72 5.581 -5.506 4.198 1.00 0.00 N ATOM 560 CA PRO A 72 5.606 -4.984 5.567 1.00 0.00 C ATOM 561 C PRO A 72 7.024 -4.864 6.116 1.00 0.00 C ATOM 562 O PRO A 72 7.486 -5.726 6.862 1.00 0.00 O ATOM 563 CB PRO A 72 4.814 -6.028 6.359 1.00 0.00 C ATOM 564 CG PRO A 72 4.955 -7.286 5.574 1.00 0.00 C ATOM 565 CD PRO A 72 5.027 -6.869 4.131 1.00 0.00 C ATOM 0 HA PRO A 72 5.191 -3.978 5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.211 -6.144 7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.768 -5.739 6.459 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.852 -7.831 5.868 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.108 -7.950 5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.667 -7.535 3.552 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.044 -6.881 3.660 1.00 0.00 H new ATOM 573 N MET A 73 7.709 -3.788 5.741 1.00 0.00 N ATOM 574 CA MET A 73 9.074 -3.554 6.197 1.00 0.00 C ATOM 575 C MET A 73 9.087 -3.054 7.638 1.00 0.00 C ATOM 576 O MET A 73 9.911 -3.482 8.446 1.00 0.00 O ATOM 577 CB MET A 73 9.773 -2.542 5.288 1.00 0.00 C ATOM 578 CG MET A 73 10.403 -3.168 4.054 1.00 0.00 C ATOM 579 SD MET A 73 9.207 -3.463 2.737 1.00 0.00 S ATOM 580 CE MET A 73 8.833 -1.784 2.237 1.00 0.00 C ATOM 0 H MET A 73 7.341 -3.065 5.123 1.00 0.00 H new ATOM 0 HA MET A 73 9.612 -4.501 6.154 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.051 -1.788 4.975 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.545 -2.026 5.858 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.193 -2.515 3.683 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.874 -4.112 4.330 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.472 -1.783 1.209 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.065 -1.372 2.892 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.734 -1.175 2.306 1.00 0.00 H new ATOM 590 N ASN A 74 8.169 -2.146 7.954 1.00 0.00 N ATOM 591 CA ASN A 74 8.077 -1.587 9.298 1.00 0.00 C ATOM 592 C ASN A 74 6.654 -1.701 9.837 1.00 0.00 C ATOM 593 O ASN A 74 5.749 -2.163 9.142 1.00 0.00 O ATOM 594 CB ASN A 74 8.518 -0.122 9.295 1.00 0.00 C ATOM 595 CG ASN A 74 10.005 0.034 9.548 1.00 0.00 C ATOM 596 OD1 ASN A 74 10.824 -0.671 8.957 1.00 0.00 O ATOM 597 ND2 ASN A 74 10.360 0.961 10.429 1.00 0.00 N ATOM 0 H ASN A 74 7.478 -1.782 7.298 1.00 0.00 H new ATOM 0 HA ASN A 74 8.740 -2.157 9.949 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.266 0.329 8.335 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.963 0.423 10.058 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.346 1.113 10.640 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.647 1.522 10.895 1.00 0.00 H new ATOM 604 N LYS A 75 6.463 -1.275 11.081 1.00 0.00 N ATOM 605 CA LYS A 75 5.151 -1.326 11.715 1.00 0.00 C ATOM 606 C LYS A 75 4.350 -0.065 11.409 1.00 0.00 C ATOM 607 O LYS A 75 3.131 -0.119 11.238 1.00 0.00 O ATOM 608 CB LYS A 75 5.299 -1.495 13.229 1.00 0.00 C ATOM 609 CG LYS A 75 5.803 -2.867 13.641 1.00 0.00 C ATOM 610 CD LYS A 75 4.745 -3.937 13.427 1.00 0.00 C ATOM 611 CE LYS A 75 4.920 -5.096 14.396 1.00 0.00 C ATOM 612 NZ LYS A 75 4.410 -4.764 15.755 1.00 0.00 N ATOM 0 H LYS A 75 7.201 -0.890 11.671 1.00 0.00 H new ATOM 0 HA LYS A 75 4.613 -2.184 11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.986 -0.737 13.605 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.334 -1.314 13.702 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.695 -3.116 13.066 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.096 -2.848 14.691 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.754 -3.501 13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.801 -4.306 12.403 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.394 -5.971 14.014 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.975 -5.361 14.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.834 -5.409 16.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.663 -3.783 15.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.375 -4.868 15.772 1.00 0.00 H new ATOM 626 N ILE A 76 5.041 1.068 11.341 1.00 0.00 N ATOM 627 CA ILE A 76 4.393 2.341 11.053 1.00 0.00 C ATOM 628 C ILE A 76 4.335 2.602 9.552 1.00 0.00 C ATOM 629 O ILE A 76 3.359 3.156 9.046 1.00 0.00 O ATOM 630 CB ILE A 76 5.124 3.512 11.738 1.00 0.00 C ATOM 631 CG1 ILE A 76 5.235 3.262 13.243 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.399 4.821 11.465 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.917 3.384 13.975 1.00 0.00 C ATOM 0 H ILE A 76 6.049 1.130 11.481 1.00 0.00 H new ATOM 0 HA ILE A 76 3.379 2.275 11.447 1.00 0.00 H new ATOM 0 HB ILE A 76 6.130 3.584 11.326 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.642 2.264 13.408 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.945 3.971 13.669 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.927 5.639 11.955 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.367 5.002 10.391 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.382 4.762 11.853 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.072 3.194 15.037 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.518 4.389 13.841 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.210 2.657 13.576 1.00 0.00 H new ATOM 645 N GLU A 77 5.385 2.196 8.845 1.00 0.00 N ATOM 646 CA GLU A 77 5.452 2.385 7.401 1.00 0.00 C ATOM 647 C GLU A 77 4.085 2.164 6.759 1.00 0.00 C ATOM 648 O GLU A 77 3.726 2.834 5.791 1.00 0.00 O ATOM 649 CB GLU A 77 6.476 1.429 6.786 1.00 0.00 C ATOM 650 CG GLU A 77 7.875 2.014 6.692 1.00 0.00 C ATOM 651 CD GLU A 77 8.851 1.084 5.997 1.00 0.00 C ATOM 652 OE1 GLU A 77 8.409 0.305 5.126 1.00 0.00 O ATOM 653 OE2 GLU A 77 10.055 1.136 6.323 1.00 0.00 O ATOM 0 H GLU A 77 6.200 1.734 9.249 1.00 0.00 H new ATOM 0 HA GLU A 77 5.763 3.412 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.512 0.517 7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.142 1.145 5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.834 2.960 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.241 2.235 7.695 1.00 0.00 H new ATOM 660 N ARG A 78 3.327 1.219 7.306 1.00 0.00 N ATOM 661 CA ARG A 78 2.000 0.909 6.787 1.00 0.00 C ATOM 662 C ARG A 78 1.137 2.164 6.715 1.00 0.00 C ATOM 663 O ARG A 78 0.607 2.506 5.657 1.00 0.00 O ATOM 664 CB ARG A 78 1.319 -0.142 7.666 1.00 0.00 C ATOM 665 CG ARG A 78 0.209 -0.902 6.958 1.00 0.00 C ATOM 666 CD ARG A 78 0.768 -1.990 6.055 1.00 0.00 C ATOM 667 NE ARG A 78 1.542 -2.978 6.802 1.00 0.00 N ATOM 668 CZ ARG A 78 2.850 -2.878 7.016 1.00 0.00 C ATOM 669 NH1 ARG A 78 3.525 -1.841 6.541 1.00 0.00 N ATOM 670 NH2 ARG A 78 3.484 -3.818 7.706 1.00 0.00 N ATOM 0 H ARG A 78 3.609 0.655 8.108 1.00 0.00 H new ATOM 0 HA ARG A 78 2.115 0.511 5.779 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.069 -0.852 8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.907 0.347 8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.457 -1.347 7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.389 -0.208 6.367 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.052 -2.488 5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.400 -1.537 5.291 1.00 0.00 H new ATOM 0 HE ARG A 78 1.052 -3.789 7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.041 -1.117 6.010 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.529 -1.767 6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.967 -4.618 8.072 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.488 -3.741 7.870 1.00 0.00 H new ATOM 684 N SER A 79 0.998 2.848 7.847 1.00 0.00 N ATOM 685 CA SER A 79 0.196 4.063 7.913 1.00 0.00 C ATOM 686 C SER A 79 0.790 5.155 7.028 1.00 0.00 C ATOM 687 O SER A 79 0.081 5.787 6.244 1.00 0.00 O ATOM 688 CB SER A 79 0.099 4.558 9.357 1.00 0.00 C ATOM 689 OG SER A 79 -0.675 5.742 9.440 1.00 0.00 O ATOM 0 H SER A 79 1.431 2.580 8.731 1.00 0.00 H new ATOM 0 HA SER A 79 -0.804 3.828 7.549 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.347 3.784 9.981 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.099 4.745 9.748 1.00 0.00 H new ATOM 0 HG SER A 79 -0.723 6.037 10.373 1.00 0.00 H new ATOM 695 N ILE A 80 2.094 5.371 7.161 1.00 0.00 N ATOM 696 CA ILE A 80 2.784 6.385 6.374 1.00 0.00 C ATOM 697 C ILE A 80 2.478 6.230 4.888 1.00 0.00 C ATOM 698 O ILE A 80 1.997 7.162 4.241 1.00 0.00 O ATOM 699 CB ILE A 80 4.309 6.318 6.582 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.655 6.558 8.053 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.009 7.336 5.694 1.00 0.00 C ATOM 702 CD1 ILE A 80 6.009 6.012 8.451 1.00 0.00 C ATOM 0 H ILE A 80 2.694 4.857 7.806 1.00 0.00 H new ATOM 0 HA ILE A 80 2.420 7.353 6.719 1.00 0.00 H new ATOM 0 HB ILE A 80 4.657 5.323 6.304 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.631 7.629 8.254 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.889 6.099 8.678 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.086 7.277 5.852 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.783 7.123 4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.660 8.338 5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.188 6.218 9.506 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.031 4.935 8.282 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.784 6.489 7.852 1.00 0.00 H new ATOM 714 N LEU A 81 2.758 5.047 4.352 1.00 0.00 N ATOM 715 CA LEU A 81 2.510 4.769 2.942 1.00 0.00 C ATOM 716 C LEU A 81 1.060 5.065 2.574 1.00 0.00 C ATOM 717 O LEU A 81 0.781 5.653 1.528 1.00 0.00 O ATOM 718 CB LEU A 81 2.841 3.309 2.625 1.00 0.00 C ATOM 719 CG LEU A 81 2.396 2.803 1.252 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.010 3.649 0.147 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.771 1.339 1.076 1.00 0.00 C ATOM 0 H LEU A 81 3.157 4.266 4.872 1.00 0.00 H new ATOM 0 HA LEU A 81 3.154 5.419 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.920 3.176 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.383 2.680 3.388 1.00 0.00 H new ATOM 0 HG LEU A 81 1.311 2.890 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.682 3.274 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.691 4.685 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.097 3.595 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.447 0.996 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.852 1.228 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.283 0.743 1.848 1.00 0.00 H new ATOM 733 N HIS A 82 0.140 4.656 3.442 1.00 0.00 N ATOM 734 CA HIS A 82 -1.283 4.881 3.210 1.00 0.00 C ATOM 735 C HIS A 82 -1.560 6.352 2.915 1.00 0.00 C ATOM 736 O HIS A 82 -2.310 6.680 1.995 1.00 0.00 O ATOM 737 CB HIS A 82 -2.096 4.430 4.423 1.00 0.00 C ATOM 738 CG HIS A 82 -2.549 3.004 4.345 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.873 2.629 4.425 1.00 0.00 N ATOM 740 CD2 HIS A 82 -1.843 1.859 4.192 1.00 0.00 C ATOM 741 CE1 HIS A 82 -3.963 1.315 4.325 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.746 0.823 4.183 1.00 0.00 N ATOM 0 H HIS A 82 0.354 4.168 4.312 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.582 4.293 2.342 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.495 4.563 5.323 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.969 5.075 4.525 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -4.660 3.267 4.543 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.771 1.775 4.095 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.877 0.740 4.354 1.00 0.00 H new ATOM 750 N ASP A 83 -0.950 7.232 3.701 1.00 0.00 N ATOM 751 CA ASP A 83 -1.131 8.669 3.524 1.00 0.00 C ATOM 752 C ASP A 83 -0.616 9.117 2.159 1.00 0.00 C ATOM 753 O ASP A 83 -1.304 9.830 1.428 1.00 0.00 O ATOM 754 CB ASP A 83 -0.409 9.436 4.632 1.00 0.00 C ATOM 755 CG ASP A 83 -0.987 10.820 4.851 1.00 0.00 C ATOM 756 OD1 ASP A 83 -2.008 10.931 5.561 1.00 0.00 O ATOM 757 OD2 ASP A 83 -0.419 11.792 4.311 1.00 0.00 O ATOM 0 H ASP A 83 -0.326 6.976 4.466 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.198 8.886 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.470 8.869 5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.648 9.523 4.380 1.00 0.00 H new ATOM 762 N VAL A 84 0.599 8.695 1.823 1.00 0.00 N ATOM 763 CA VAL A 84 1.206 9.053 0.547 1.00 0.00 C ATOM 764 C VAL A 84 0.357 8.567 -0.622 1.00 0.00 C ATOM 765 O VAL A 84 0.195 9.268 -1.620 1.00 0.00 O ATOM 766 CB VAL A 84 2.624 8.466 0.416 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.214 8.793 -0.947 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.520 8.983 1.532 1.00 0.00 C ATOM 0 H VAL A 84 1.182 8.105 2.417 1.00 0.00 H new ATOM 0 HA VAL A 84 1.267 10.141 0.520 1.00 0.00 H new ATOM 0 HB VAL A 84 2.559 7.382 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.216 8.370 -1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.583 8.369 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.267 9.875 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.518 8.558 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.580 10.070 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.104 8.692 2.497 1.00 0.00 H new ATOM 778 N VAL A 85 -0.185 7.360 -0.490 1.00 0.00 N ATOM 779 CA VAL A 85 -1.020 6.779 -1.535 1.00 0.00 C ATOM 780 C VAL A 85 -2.335 7.538 -1.672 1.00 0.00 C ATOM 781 O VAL A 85 -2.634 8.096 -2.728 1.00 0.00 O ATOM 782 CB VAL A 85 -1.323 5.296 -1.251 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.314 4.749 -2.268 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.039 4.480 -1.254 1.00 0.00 C ATOM 0 H VAL A 85 -0.061 6.766 0.330 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.460 6.856 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.774 5.218 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.516 3.700 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.243 5.316 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.894 4.838 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.272 3.435 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.442 4.563 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.634 4.857 -0.484 1.00 0.00 H new ATOM 794 N GLU A 86 -3.118 7.554 -0.598 1.00 0.00 N ATOM 795 CA GLU A 86 -4.403 8.244 -0.599 1.00 0.00 C ATOM 796 C GLU A 86 -4.268 9.642 -1.198 1.00 0.00 C ATOM 797 O GLU A 86 -5.191 10.146 -1.839 1.00 0.00 O ATOM 798 CB GLU A 86 -4.958 8.339 0.823 1.00 0.00 C ATOM 799 CG GLU A 86 -4.319 9.438 1.654 1.00 0.00 C ATOM 800 CD GLU A 86 -5.124 9.774 2.895 1.00 0.00 C ATOM 801 OE1 GLU A 86 -6.236 10.324 2.750 1.00 0.00 O ATOM 802 OE2 GLU A 86 -4.642 9.487 4.011 1.00 0.00 O ATOM 0 H GLU A 86 -2.885 7.097 0.284 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.095 7.668 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.033 8.511 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.811 7.383 1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.316 9.129 1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.210 10.334 1.043 1.00 0.00 H new ATOM 809 N VAL A 87 -3.112 10.262 -0.984 1.00 0.00 N ATOM 810 CA VAL A 87 -2.855 11.601 -1.503 1.00 0.00 C ATOM 811 C VAL A 87 -2.542 11.562 -2.994 1.00 0.00 C ATOM 812 O VAL A 87 -2.981 12.424 -3.754 1.00 0.00 O ATOM 813 CB VAL A 87 -1.687 12.275 -0.760 1.00 0.00 C ATOM 814 CG1 VAL A 87 -1.368 13.626 -1.382 1.00 0.00 C ATOM 815 CG2 VAL A 87 -2.009 12.422 0.719 1.00 0.00 C ATOM 0 H VAL A 87 -2.339 9.859 -0.455 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.762 12.183 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.805 11.641 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.540 14.088 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.090 13.489 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.245 14.271 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.172 12.900 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.903 13.034 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.183 11.437 1.153 1.00 0.00 H new ATOM 825 N ALA A 88 -1.778 10.555 -3.406 1.00 0.00 N ATOM 826 CA ALA A 88 -1.407 10.402 -4.807 1.00 0.00 C ATOM 827 C ALA A 88 -2.642 10.264 -5.691 1.00 0.00 C ATOM 828 O ALA A 88 -2.659 10.731 -6.829 1.00 0.00 O ATOM 829 CB ALA A 88 -0.494 9.197 -4.983 1.00 0.00 C ATOM 0 H ALA A 88 -1.404 9.834 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.870 11.300 -5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.225 9.095 -6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.409 9.335 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.012 8.297 -4.652 1.00 0.00 H new ATOM 835 N GLY A 89 -3.676 9.619 -5.158 1.00 0.00 N ATOM 836 CA GLY A 89 -4.902 9.431 -5.913 1.00 0.00 C ATOM 837 C GLY A 89 -5.137 7.981 -6.285 1.00 0.00 C ATOM 838 O GLY A 89 -5.678 7.685 -7.351 1.00 0.00 O ATOM 0 H GLY A 89 -3.687 9.224 -4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.746 9.794 -5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.862 10.034 -6.820 1.00 0.00 H new ATOM 842 N LEU A 90 -4.729 7.073 -5.405 1.00 0.00 N ATOM 843 CA LEU A 90 -4.896 5.644 -5.647 1.00 0.00 C ATOM 844 C LEU A 90 -5.602 4.972 -4.473 1.00 0.00 C ATOM 845 O LEU A 90 -5.805 5.584 -3.423 1.00 0.00 O ATOM 846 CB LEU A 90 -3.537 4.984 -5.884 1.00 0.00 C ATOM 847 CG LEU A 90 -2.804 5.398 -7.161 1.00 0.00 C ATOM 848 CD1 LEU A 90 -1.364 4.908 -7.132 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.527 4.863 -8.388 1.00 0.00 C ATOM 0 H LEU A 90 -4.280 7.301 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.513 5.521 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.894 5.205 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.679 3.903 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.795 6.487 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.858 5.212 -8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.850 5.340 -6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.351 3.821 -7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.991 5.167 -9.287 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.568 3.775 -8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.540 5.263 -8.416 1.00 0.00 H new ATOM 861 N THR A 91 -5.974 3.709 -4.657 1.00 0.00 N ATOM 862 CA THR A 91 -6.656 2.953 -3.614 1.00 0.00 C ATOM 863 C THR A 91 -5.689 2.030 -2.882 1.00 0.00 C ATOM 864 O THR A 91 -5.058 1.166 -3.491 1.00 0.00 O ATOM 865 CB THR A 91 -7.811 2.114 -4.192 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.772 2.970 -4.819 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.486 1.298 -3.100 1.00 0.00 C ATOM 0 H THR A 91 -5.814 3.188 -5.519 1.00 0.00 H new ATOM 0 HA THR A 91 -7.062 3.680 -2.911 1.00 0.00 H new ATOM 0 HB THR A 91 -7.398 1.429 -4.932 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.502 2.429 -5.185 1.00 0.00 H new ATOM 0 HG21 THR A 91 -9.298 0.714 -3.532 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.758 0.626 -2.645 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.886 1.968 -2.339 1.00 0.00 H new ATOM 875 N SER A 92 -5.576 2.218 -1.571 1.00 0.00 N ATOM 876 CA SER A 92 -4.683 1.404 -0.755 1.00 0.00 C ATOM 877 C SER A 92 -5.471 0.579 0.257 1.00 0.00 C ATOM 878 O SER A 92 -6.573 0.955 0.658 1.00 0.00 O ATOM 879 CB SER A 92 -3.670 2.291 -0.029 1.00 0.00 C ATOM 880 OG SER A 92 -2.506 1.560 0.316 1.00 0.00 O ATOM 0 H SER A 92 -6.092 2.928 -1.051 1.00 0.00 H new ATOM 0 HA SER A 92 -4.149 0.721 -1.416 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.399 3.134 -0.665 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.124 2.704 0.872 1.00 0.00 H new ATOM 0 HG SER A 92 -2.514 0.695 -0.145 1.00 0.00 H new ATOM 886 N PHE A 93 -4.900 -0.549 0.666 1.00 0.00 N ATOM 887 CA PHE A 93 -5.548 -1.429 1.630 1.00 0.00 C ATOM 888 C PHE A 93 -4.523 -2.308 2.340 1.00 0.00 C ATOM 889 O PHE A 93 -3.634 -2.878 1.708 1.00 0.00 O ATOM 890 CB PHE A 93 -6.591 -2.305 0.933 1.00 0.00 C ATOM 891 CG PHE A 93 -7.891 -1.598 0.672 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.731 -1.258 1.720 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.271 -1.272 -0.620 1.00 0.00 C ATOM 894 CE1 PHE A 93 -9.928 -0.608 1.483 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.466 -0.621 -0.863 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.295 -0.288 0.190 1.00 0.00 C ATOM 0 H PHE A 93 -3.989 -0.875 0.344 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.045 -0.807 2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.183 -2.658 -0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.782 -3.186 1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.448 -1.503 2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.626 -1.530 -1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.576 -0.351 2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -9.751 -0.373 -1.875 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.229 0.222 0.003 1.00 0.00 H new ATOM 906 N SER A 94 -4.654 -2.412 3.659 1.00 0.00 N ATOM 907 CA SER A 94 -3.736 -3.217 4.457 1.00 0.00 C ATOM 908 C SER A 94 -4.277 -4.632 4.644 1.00 0.00 C ATOM 909 O SER A 94 -5.216 -4.853 5.410 1.00 0.00 O ATOM 910 CB SER A 94 -3.504 -2.563 5.820 1.00 0.00 C ATOM 911 OG SER A 94 -3.184 -1.190 5.679 1.00 0.00 O ATOM 0 H SER A 94 -5.386 -1.949 4.197 1.00 0.00 H new ATOM 0 HA SER A 94 -2.787 -3.277 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.398 -2.670 6.435 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.695 -3.076 6.340 1.00 0.00 H new ATOM 0 HG SER A 94 -2.886 -1.016 4.762 1.00 0.00 H new ATOM 917 N PHE A 95 -3.679 -5.586 3.939 1.00 0.00 N ATOM 918 CA PHE A 95 -4.100 -6.979 4.025 1.00 0.00 C ATOM 919 C PHE A 95 -3.031 -7.829 4.705 1.00 0.00 C ATOM 920 O PHE A 95 -1.876 -7.848 4.283 1.00 0.00 O ATOM 921 CB PHE A 95 -4.396 -7.532 2.630 1.00 0.00 C ATOM 922 CG PHE A 95 -5.388 -6.710 1.857 1.00 0.00 C ATOM 923 CD1 PHE A 95 -6.693 -6.577 2.302 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.014 -6.070 0.686 1.00 0.00 C ATOM 925 CE1 PHE A 95 -7.608 -5.822 1.593 1.00 0.00 C ATOM 926 CE2 PHE A 95 -5.925 -5.314 -0.027 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.223 -5.188 0.427 1.00 0.00 C ATOM 0 H PHE A 95 -2.901 -5.420 3.301 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.009 -7.021 4.625 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.465 -7.589 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.775 -8.550 2.724 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.999 -7.069 3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.000 -6.163 0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.623 -5.728 1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.622 -4.822 -0.939 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.935 -4.595 -0.128 1.00 0.00 H new ATOM 937 N GLY A 96 -3.426 -8.532 5.763 1.00 0.00 N ATOM 938 CA GLY A 96 -2.490 -9.373 6.486 1.00 0.00 C ATOM 939 C GLY A 96 -3.087 -10.716 6.859 1.00 0.00 C ATOM 940 O GLY A 96 -4.202 -10.784 7.375 1.00 0.00 O ATOM 0 H GLY A 96 -4.377 -8.534 6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.601 -9.531 5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.168 -8.858 7.391 1.00 0.00 H new ATOM 944 N GLU A 97 -2.344 -11.786 6.596 1.00 0.00 N ATOM 945 CA GLU A 97 -2.808 -13.133 6.906 1.00 0.00 C ATOM 946 C GLU A 97 -2.756 -13.395 8.408 1.00 0.00 C ATOM 947 O GLU A 97 -3.623 -14.070 8.962 1.00 0.00 O ATOM 948 CB GLU A 97 -1.962 -14.171 6.166 1.00 0.00 C ATOM 949 CG GLU A 97 -2.720 -15.444 5.827 1.00 0.00 C ATOM 950 CD GLU A 97 -1.924 -16.376 4.934 1.00 0.00 C ATOM 951 OE1 GLU A 97 -1.423 -15.911 3.888 1.00 0.00 O ATOM 952 OE2 GLU A 97 -1.802 -17.569 5.280 1.00 0.00 O ATOM 0 H GLU A 97 -1.418 -11.746 6.169 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.844 -13.217 6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.582 -13.728 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.097 -14.425 6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.980 -15.964 6.749 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.656 -15.184 5.333 1.00 0.00 H new ATOM 959 N ASP A 98 -1.732 -12.856 9.061 1.00 0.00 N ATOM 960 CA ASP A 98 -1.565 -13.030 10.499 1.00 0.00 C ATOM 961 C ASP A 98 -1.545 -11.680 11.211 1.00 0.00 C ATOM 962 O ASP A 98 -1.210 -10.657 10.613 1.00 0.00 O ATOM 963 CB ASP A 98 -0.275 -13.796 10.796 1.00 0.00 C ATOM 964 CG ASP A 98 -0.277 -15.187 10.191 1.00 0.00 C ATOM 965 OD1 ASP A 98 -0.622 -15.315 8.998 1.00 0.00 O ATOM 966 OD2 ASP A 98 0.067 -16.147 10.912 1.00 0.00 O ATOM 0 H ASP A 98 -1.005 -12.295 8.617 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.413 -13.605 10.871 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.575 -13.235 10.408 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.141 -13.872 11.875 1.00 0.00 H new ATOM 971 N ASP A 99 -1.905 -11.687 12.490 1.00 0.00 N ATOM 972 CA ASP A 99 -1.928 -10.463 13.283 1.00 0.00 C ATOM 973 C ASP A 99 -0.586 -9.741 13.208 1.00 0.00 C ATOM 974 O ASP A 99 -0.534 -8.517 13.091 1.00 0.00 O ATOM 975 CB ASP A 99 -2.268 -10.782 14.740 1.00 0.00 C ATOM 976 CG ASP A 99 -2.396 -9.533 15.591 1.00 0.00 C ATOM 977 OD1 ASP A 99 -2.684 -8.458 15.026 1.00 0.00 O ATOM 978 OD2 ASP A 99 -2.207 -9.632 16.822 1.00 0.00 O ATOM 0 H ASP A 99 -2.185 -12.525 12.999 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.696 -9.807 12.873 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -3.203 -11.341 14.778 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.494 -11.426 15.158 1.00 0.00 H new ATOM 983 N ASP A 100 0.497 -10.508 13.276 1.00 0.00 N ATOM 984 CA ASP A 100 1.840 -9.941 13.216 1.00 0.00 C ATOM 985 C ASP A 100 2.203 -9.557 11.785 1.00 0.00 C ATOM 986 O ASP A 100 2.791 -8.502 11.546 1.00 0.00 O ATOM 987 CB ASP A 100 2.862 -10.938 13.765 1.00 0.00 C ATOM 988 CG ASP A 100 2.604 -11.290 15.217 1.00 0.00 C ATOM 989 OD1 ASP A 100 1.765 -12.180 15.472 1.00 0.00 O ATOM 990 OD2 ASP A 100 3.240 -10.676 16.099 1.00 0.00 O ATOM 0 H ASP A 100 0.471 -11.523 13.373 1.00 0.00 H new ATOM 0 HA ASP A 100 1.856 -9.041 13.830 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.838 -11.847 13.164 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.863 -10.518 13.668 1.00 0.00 H new ATOM 995 N CYS A 101 1.852 -10.421 10.839 1.00 0.00 N ATOM 996 CA CYS A 101 2.143 -10.173 9.431 1.00 0.00 C ATOM 997 C CYS A 101 1.021 -9.374 8.776 1.00 0.00 C ATOM 998 O CYS A 101 -0.074 -9.890 8.554 1.00 0.00 O ATOM 999 CB CYS A 101 2.344 -11.496 8.690 1.00 0.00 C ATOM 1000 SG CYS A 101 3.980 -12.229 8.918 1.00 0.00 S ATOM 0 H CYS A 101 1.366 -11.299 11.021 1.00 0.00 H new ATOM 0 HA CYS A 101 3.061 -9.589 9.373 1.00 0.00 H new ATOM 0 HB2 CYS A 101 1.589 -12.207 9.027 1.00 0.00 H new ATOM 0 HB3 CYS A 101 2.176 -11.333 7.625 1.00 0.00 H new ATOM 0 HG CYS A 101 4.052 -13.345 8.255 1.00 0.00 H new ATOM 1006 N ARG A 102 1.302 -8.111 8.471 1.00 0.00 N ATOM 1007 CA ARG A 102 0.315 -7.239 7.845 1.00 0.00 C ATOM 1008 C ARG A 102 0.949 -6.416 6.727 1.00 0.00 C ATOM 1009 O ARG A 102 1.673 -5.454 6.985 1.00 0.00 O ATOM 1010 CB ARG A 102 -0.309 -6.309 8.886 1.00 0.00 C ATOM 1011 CG ARG A 102 -1.524 -6.902 9.582 1.00 0.00 C ATOM 1012 CD ARG A 102 -2.091 -5.949 10.622 1.00 0.00 C ATOM 1013 NE ARG A 102 -1.114 -5.627 11.660 1.00 0.00 N ATOM 1014 CZ ARG A 102 -1.446 -5.223 12.881 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -2.722 -5.092 13.216 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -0.500 -4.949 13.770 1.00 0.00 N ATOM 0 H ARG A 102 2.204 -7.669 8.647 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.466 -7.866 7.414 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.443 -6.060 9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.598 -5.376 8.401 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.291 -7.134 8.843 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.248 -7.842 10.060 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.416 -5.031 10.133 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.973 -6.396 11.081 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.123 -5.717 11.435 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.452 -5.302 12.535 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -2.974 -4.782 14.154 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.483 -5.049 13.516 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -0.756 -4.639 14.707 1.00 0.00 H new ATOM 1030 N TYR A 103 0.673 -6.801 5.486 1.00 0.00 N ATOM 1031 CA TYR A 103 1.219 -6.101 4.329 1.00 0.00 C ATOM 1032 C TYR A 103 0.201 -5.118 3.759 1.00 0.00 C ATOM 1033 O TYR A 103 -0.984 -5.171 4.087 1.00 0.00 O ATOM 1034 CB TYR A 103 1.637 -7.103 3.251 1.00 0.00 C ATOM 1035 CG TYR A 103 0.474 -7.836 2.622 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.205 -7.301 1.535 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.054 -9.066 3.116 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.268 -7.967 0.957 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -1.008 -9.740 2.544 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.666 -9.186 1.465 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.724 -9.854 0.892 1.00 0.00 O ATOM 0 H TYR A 103 0.074 -7.594 5.255 1.00 0.00 H new ATOM 0 HA TYR A 103 2.096 -5.541 4.654 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.188 -6.577 2.472 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.320 -7.831 3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.104 -6.347 1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.566 -9.502 3.961 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -1.785 -7.536 0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.321 -10.695 2.939 1.00 0.00 H new ATOM 0 HH TYR A 103 -2.875 -10.697 1.368 1.00 0.00 H new ATOM 1051 N VAL A 104 0.674 -4.220 2.900 1.00 0.00 N ATOM 1052 CA VAL A 104 -0.193 -3.224 2.281 1.00 0.00 C ATOM 1053 C VAL A 104 -0.206 -3.375 0.764 1.00 0.00 C ATOM 1054 O VAL A 104 0.812 -3.696 0.153 1.00 0.00 O ATOM 1055 CB VAL A 104 0.250 -1.793 2.640 1.00 0.00 C ATOM 1056 CG1 VAL A 104 1.682 -1.548 2.187 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.695 -0.773 2.023 1.00 0.00 C ATOM 0 H VAL A 104 1.652 -4.162 2.617 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.197 -3.393 2.669 1.00 0.00 H new ATOM 0 HB VAL A 104 0.213 -1.680 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.978 -0.532 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.346 -2.258 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.749 -1.678 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.367 0.233 2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.692 -0.883 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.704 -0.937 2.401 1.00 0.00 H new ATOM 1067 N MET A 105 -1.368 -3.140 0.162 1.00 0.00 N ATOM 1068 CA MET A 105 -1.514 -3.248 -1.285 1.00 0.00 C ATOM 1069 C MET A 105 -2.115 -1.972 -1.867 1.00 0.00 C ATOM 1070 O MET A 105 -2.740 -1.188 -1.153 1.00 0.00 O ATOM 1071 CB MET A 105 -2.392 -4.449 -1.642 1.00 0.00 C ATOM 1072 CG MET A 105 -1.607 -5.733 -1.853 1.00 0.00 C ATOM 1073 SD MET A 105 -2.660 -7.122 -2.316 1.00 0.00 S ATOM 1074 CE MET A 105 -3.015 -6.723 -4.026 1.00 0.00 C ATOM 0 H MET A 105 -2.221 -2.874 0.654 1.00 0.00 H new ATOM 0 HA MET A 105 -0.523 -3.391 -1.716 1.00 0.00 H new ATOM 0 HB2 MET A 105 -3.121 -4.605 -0.847 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.953 -4.222 -2.549 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.859 -5.574 -2.630 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.068 -5.980 -0.938 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.973 -7.159 -4.310 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.059 -5.640 -4.145 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.229 -7.127 -4.665 1.00 0.00 H new ATOM 1084 N ILE A 106 -1.921 -1.772 -3.166 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.445 -0.592 -3.844 1.00 0.00 C ATOM 1086 C ILE A 106 -3.036 -0.955 -5.202 1.00 0.00 C ATOM 1087 O ILE A 106 -2.566 -1.877 -5.869 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.352 0.475 -4.041 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.267 -0.043 -4.986 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -0.750 0.871 -2.701 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.484 1.056 -5.705 1.00 0.00 C ATOM 0 H ILE A 106 -1.405 -2.411 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.230 -0.184 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.805 1.359 -4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.442 -0.644 -4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.724 -0.702 -5.724 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.021 1.626 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.530 1.277 -2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.309 -0.006 -2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.237 0.615 -6.358 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.214 1.643 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.970 1.703 -4.974 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.069 -0.223 -5.605 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.725 -0.467 -6.885 1.00 0.00 C ATOM 1105 C PHE A 107 -4.917 0.837 -7.654 1.00 0.00 C ATOM 1106 O PHE A 107 -4.770 1.926 -7.100 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.077 -1.148 -6.667 1.00 0.00 C ATOM 1108 CG PHE A 107 -5.966 -2.536 -6.102 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.464 -2.740 -4.827 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.362 -3.635 -6.846 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.360 -4.015 -4.305 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.261 -4.913 -6.329 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.759 -5.103 -5.057 1.00 0.00 C ATOM 0 H PHE A 107 -4.470 0.544 -5.065 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.086 -1.125 -7.474 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.678 -0.537 -5.993 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.610 -1.193 -7.617 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.151 -1.893 -4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.754 -3.492 -7.842 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.967 -4.161 -3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.574 -5.762 -6.919 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.678 -6.100 -4.651 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.247 0.717 -8.936 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.461 1.884 -9.784 1.00 0.00 C ATOM 1125 C LYS A 108 -6.916 2.339 -9.725 1.00 0.00 C ATOM 1126 O LYS A 108 -7.763 1.670 -9.134 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.072 1.568 -11.230 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.622 1.885 -11.553 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.397 1.998 -13.051 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.259 2.954 -13.373 1.00 0.00 C ATOM 1131 NZ LYS A 108 -2.138 3.199 -14.837 1.00 0.00 N ATOM 0 H LYS A 108 -5.372 -0.177 -9.410 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.830 2.692 -9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.256 0.511 -11.424 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.717 2.133 -11.903 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.336 2.819 -11.070 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.979 1.105 -11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.174 1.013 -13.462 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.312 2.344 -13.532 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.424 3.901 -12.859 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.322 2.544 -12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.256 3.714 -15.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.126 2.290 -15.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.948 3.764 -15.162 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.198 3.481 -10.343 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.551 4.025 -10.365 1.00 0.00 C ATOM 1147 C LYS A 109 -9.500 3.095 -11.114 1.00 0.00 C ATOM 1148 O LYS A 109 -10.554 2.724 -10.598 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.556 5.410 -11.017 1.00 0.00 C ATOM 1150 CG LYS A 109 -9.872 6.151 -10.863 1.00 0.00 C ATOM 1151 CD LYS A 109 -9.764 7.587 -11.345 1.00 0.00 C ATOM 1152 CE LYS A 109 -11.135 8.203 -11.577 1.00 0.00 C ATOM 1153 NZ LYS A 109 -11.106 9.686 -11.447 1.00 0.00 N ATOM 0 H LYS A 109 -6.508 4.048 -10.835 1.00 0.00 H new ATOM 0 HA LYS A 109 -8.896 4.114 -9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.758 6.010 -10.581 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.331 5.303 -12.078 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.649 5.635 -11.427 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.176 6.140 -9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.218 8.178 -10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.189 7.619 -12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.491 7.933 -12.571 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.845 7.789 -10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.059 10.068 -11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.791 9.945 -10.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -10.448 10.083 -12.148 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.118 2.723 -12.331 1.00 0.00 N ATOM 1168 CA GLU A 110 -9.936 1.835 -13.150 1.00 0.00 C ATOM 1169 C GLU A 110 -9.852 0.398 -12.645 1.00 0.00 C ATOM 1170 O GLU A 110 -10.853 -0.317 -12.601 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.492 1.900 -14.612 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.507 1.322 -15.583 1.00 0.00 C ATOM 1173 CD GLU A 110 -10.821 -0.135 -15.300 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -9.881 -0.896 -14.992 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -12.008 -0.513 -15.386 1.00 0.00 O ATOM 0 H GLU A 110 -8.248 3.022 -12.772 1.00 0.00 H new ATOM 0 HA GLU A 110 -10.972 2.167 -13.077 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.298 2.939 -14.878 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.550 1.362 -14.721 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.427 1.905 -15.531 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -10.126 1.417 -16.600 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.649 -0.020 -12.264 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.432 -1.372 -11.764 1.00 0.00 C ATOM 1184 C PHE A 111 -8.611 -1.427 -10.249 1.00 0.00 C ATOM 1185 O PHE A 111 -8.163 -2.367 -9.594 1.00 0.00 O ATOM 1186 CB PHE A 111 -7.032 -1.860 -12.141 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.856 -2.098 -13.613 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -6.571 -1.046 -14.469 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -6.977 -3.373 -14.142 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -6.409 -1.262 -15.825 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -6.815 -3.595 -15.496 1.00 0.00 C ATOM 1192 CZ PHE A 111 -6.532 -2.537 -16.339 1.00 0.00 C ATOM 0 H PHE A 111 -7.810 0.559 -12.292 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.173 -2.026 -12.224 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.298 -1.125 -11.810 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.822 -2.785 -11.604 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.474 -0.046 -14.072 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.201 -4.203 -13.488 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -6.186 -0.434 -16.481 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -6.909 -4.594 -15.895 1.00 0.00 H new ATOM 0 HZ PHE A 111 -6.407 -2.708 -17.398 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.269 -0.411 -9.700 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.509 -0.343 -8.264 1.00 0.00 C ATOM 1204 C ALA A 112 -10.538 -1.382 -7.830 1.00 0.00 C ATOM 1205 O ALA A 112 -11.488 -1.689 -8.551 1.00 0.00 O ATOM 1206 CB ALA A 112 -9.968 1.053 -7.871 1.00 0.00 C ATOM 0 H ALA A 112 -9.645 0.376 -10.228 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.571 -0.562 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.143 1.089 -6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.199 1.778 -8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.891 1.294 -8.398 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.347 -1.937 -6.624 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.248 -2.950 -6.067 1.00 0.00 C ATOM 1214 C PRO A 113 -12.609 -2.372 -5.694 1.00 0.00 C ATOM 1215 O PRO A 113 -12.750 -1.165 -5.500 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.511 -3.431 -4.815 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.638 -2.288 -4.426 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.236 -1.618 -5.711 1.00 0.00 C ATOM 0 HA PRO A 113 -11.462 -3.743 -6.783 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.209 -3.685 -4.018 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.923 -4.326 -5.021 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.170 -1.595 -3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -8.763 -2.635 -3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.117 -0.542 -5.583 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.286 -2.001 -6.084 1.00 0.00 H new ATOM 1226 N SER A 114 -13.609 -3.242 -5.594 1.00 0.00 N ATOM 1227 CA SER A 114 -14.960 -2.817 -5.247 1.00 0.00 C ATOM 1228 C SER A 114 -15.245 -3.064 -3.768 1.00 0.00 C ATOM 1229 O SER A 114 -14.526 -3.810 -3.103 1.00 0.00 O ATOM 1230 CB SER A 114 -15.987 -3.558 -6.106 1.00 0.00 C ATOM 1231 OG SER A 114 -16.242 -2.859 -7.312 1.00 0.00 O ATOM 0 H SER A 114 -13.509 -4.245 -5.748 1.00 0.00 H new ATOM 0 HA SER A 114 -15.038 -1.747 -5.441 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.621 -4.559 -6.333 1.00 0.00 H new ATOM 0 HB3 SER A 114 -16.915 -3.677 -5.547 1.00 0.00 H new ATOM 0 HG SER A 114 -16.900 -3.354 -7.844 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.298 -2.433 -3.262 1.00 0.00 N ATOM 1238 CA ASP A 115 -16.679 -2.584 -1.862 1.00 0.00 C ATOM 1239 C ASP A 115 -16.863 -4.055 -1.505 1.00 0.00 C ATOM 1240 O ASP A 115 -16.090 -4.616 -0.729 1.00 0.00 O ATOM 1241 CB ASP A 115 -17.968 -1.812 -1.577 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.312 -1.784 -0.100 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -17.377 -1.827 0.727 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -19.515 -1.721 0.228 1.00 0.00 O ATOM 0 H ASP A 115 -16.903 -1.812 -3.799 1.00 0.00 H new ATOM 0 HA ASP A 115 -15.877 -2.177 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -17.864 -0.790 -1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.790 -2.266 -2.130 1.00 0.00 H new ATOM 1249 N GLU A 116 -17.892 -4.674 -2.076 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.178 -6.080 -1.815 1.00 0.00 C ATOM 1251 C GLU A 116 -16.939 -6.939 -2.050 1.00 0.00 C ATOM 1252 O GLU A 116 -16.603 -7.797 -1.234 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.324 -6.564 -2.705 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.692 -6.079 -2.254 1.00 0.00 C ATOM 1255 CD GLU A 116 -21.827 -6.843 -2.907 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -21.903 -6.839 -4.154 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -22.638 -7.444 -2.173 1.00 0.00 O ATOM 0 H GLU A 116 -18.541 -4.224 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.474 -6.177 -0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.147 -6.227 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.322 -7.654 -2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -20.769 -6.177 -1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -20.792 -5.019 -2.486 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.266 -6.703 -3.172 1.00 0.00 N ATOM 1265 CA GLU A 117 -15.066 -7.456 -3.515 1.00 0.00 C ATOM 1266 C GLU A 117 -14.010 -7.327 -2.420 1.00 0.00 C ATOM 1267 O GLU A 117 -13.360 -8.305 -2.050 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.495 -6.970 -4.849 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.525 -6.904 -5.963 1.00 0.00 C ATOM 1270 CD GLU A 117 -16.083 -8.267 -6.324 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -17.051 -8.706 -5.668 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -15.550 -8.896 -7.263 1.00 0.00 O ATOM 0 H GLU A 117 -16.532 -5.997 -3.858 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.342 -8.506 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.059 -5.981 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.686 -7.635 -5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.342 -6.250 -5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -15.071 -6.456 -6.847 1.00 0.00 H new ATOM 1279 N LEU A 118 -13.845 -6.113 -1.907 1.00 0.00 N ATOM 1280 CA LEU A 118 -12.869 -5.853 -0.854 1.00 0.00 C ATOM 1281 C LEU A 118 -13.115 -6.755 0.351 1.00 0.00 C ATOM 1282 O LEU A 118 -12.202 -7.423 0.836 1.00 0.00 O ATOM 1283 CB LEU A 118 -12.927 -4.385 -0.428 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.201 -3.393 -1.338 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -12.625 -1.968 -1.018 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -10.694 -3.547 -1.200 1.00 0.00 C ATOM 0 H LEU A 118 -14.374 -5.293 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.877 -6.070 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -13.974 -4.088 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.508 -4.302 0.575 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.474 -3.609 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.099 -1.276 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.700 -1.866 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.381 -1.740 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.194 -2.833 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.402 -3.358 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.405 -4.560 -1.479 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.354 -6.770 0.829 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.722 -7.592 1.976 1.00 0.00 C ATOM 1300 C ASP A 119 -14.375 -9.057 1.728 1.00 0.00 C ATOM 1301 O ASP A 119 -13.888 -9.750 2.621 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.216 -7.452 2.273 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.561 -7.835 3.699 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -16.832 -9.029 3.943 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -16.560 -6.940 4.571 1.00 0.00 O ATOM 0 H ASP A 119 -15.121 -6.222 0.440 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.154 -7.244 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.525 -6.422 2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.781 -8.080 1.584 1.00 0.00 H new ATOM 1310 N SER A 120 -14.631 -9.522 0.509 1.00 0.00 N ATOM 1311 CA SER A 120 -14.350 -10.906 0.145 1.00 0.00 C ATOM 1312 C SER A 120 -12.847 -11.145 0.035 1.00 0.00 C ATOM 1313 O SER A 120 -12.341 -12.186 0.453 1.00 0.00 O ATOM 1314 CB SER A 120 -15.032 -11.255 -1.180 1.00 0.00 C ATOM 1315 OG SER A 120 -16.441 -11.151 -1.071 1.00 0.00 O ATOM 0 H SER A 120 -15.032 -8.961 -0.243 1.00 0.00 H new ATOM 0 HA SER A 120 -14.746 -11.550 0.930 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.674 -10.587 -1.964 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.761 -12.268 -1.476 1.00 0.00 H new ATOM 0 HG SER A 120 -16.853 -11.377 -1.931 1.00 0.00 H new ATOM 1321 N TYR A 121 -12.140 -10.173 -0.531 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.696 -10.277 -0.699 1.00 0.00 C ATOM 1323 C TYR A 121 -10.012 -10.569 0.633 1.00 0.00 C ATOM 1324 O TYR A 121 -9.107 -11.400 0.710 1.00 0.00 O ATOM 1325 CB TYR A 121 -10.137 -8.987 -1.300 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.247 -8.923 -2.807 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.554 -9.819 -3.612 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -11.042 -7.966 -3.425 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.651 -9.764 -4.989 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -11.146 -7.905 -4.802 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.449 -8.806 -5.579 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.548 -8.747 -6.950 1.00 0.00 O ATOM 0 H TYR A 121 -12.544 -9.304 -0.881 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.494 -11.104 -1.379 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.666 -8.137 -0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -9.089 -8.888 -1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -8.929 -10.571 -3.153 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.588 -7.258 -2.819 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -9.105 -10.467 -5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.770 -7.156 -5.267 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.150 -8.017 -7.203 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.452 -9.880 1.680 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.884 -10.063 3.010 1.00 0.00 C ATOM 1344 C ARG A 122 -10.363 -11.372 3.630 1.00 0.00 C ATOM 1345 O ARG A 122 -9.565 -12.157 4.142 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.260 -8.889 3.916 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.273 -7.735 3.858 1.00 0.00 C ATOM 1348 CD ARG A 122 -9.808 -6.508 4.579 1.00 0.00 C ATOM 1349 NE ARG A 122 -8.859 -5.398 4.550 1.00 0.00 N ATOM 1350 CZ ARG A 122 -9.125 -4.191 5.037 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -10.304 -3.940 5.588 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -8.210 -3.232 4.973 1.00 0.00 N ATOM 0 H ARG A 122 -11.201 -9.189 1.633 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.799 -10.103 2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.248 -8.525 3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -10.332 -9.243 4.944 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.328 -8.040 4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -9.064 -7.485 2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -10.745 -6.196 4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -10.033 -6.765 5.614 1.00 0.00 H new ATOM 0 HE ARG A 122 -7.942 -5.558 4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -11.010 -4.675 5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -10.505 -3.012 5.961 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -7.302 -3.421 4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -8.415 -2.306 5.347 1.00 0.00 H new ATOM 1366 N ARG A 123 -11.672 -11.600 3.582 1.00 0.00 N ATOM 1367 CA ARG A 123 -12.258 -12.812 4.141 1.00 0.00 C ATOM 1368 C ARG A 123 -11.671 -14.055 3.477 1.00 0.00 C ATOM 1369 O ARG A 123 -11.593 -15.119 4.089 1.00 0.00 O ATOM 1370 CB ARG A 123 -13.777 -12.797 3.966 1.00 0.00 C ATOM 1371 CG ARG A 123 -14.475 -11.736 4.802 1.00 0.00 C ATOM 1372 CD ARG A 123 -14.492 -12.110 6.276 1.00 0.00 C ATOM 1373 NE ARG A 123 -14.937 -11.002 7.117 1.00 0.00 N ATOM 1374 CZ ARG A 123 -15.020 -11.071 8.441 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -14.689 -12.190 9.071 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -15.434 -10.020 9.137 1.00 0.00 N ATOM 0 H ARG A 123 -12.347 -10.961 3.162 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.022 -12.843 5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -14.012 -12.632 2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -14.175 -13.777 4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -13.969 -10.779 4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -15.497 -11.606 4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -15.151 -12.966 6.425 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -13.493 -12.419 6.583 1.00 0.00 H new ATOM 0 HE ARG A 123 -15.198 -10.127 6.663 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -14.370 -13.000 8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -14.753 -12.241 10.088 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -15.689 -9.158 8.655 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -15.497 -10.074 10.154 1.00 0.00 H new ATOM 1390 N GLY A 124 -11.261 -13.911 2.221 1.00 0.00 N ATOM 1391 CA GLY A 124 -10.688 -15.029 1.495 1.00 0.00 C ATOM 1392 C GLY A 124 -9.373 -15.493 2.089 1.00 0.00 C ATOM 1393 O GLY A 124 -9.339 -16.032 3.195 1.00 0.00 O ATOM 0 H GLY A 124 -11.315 -13.040 1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -11.395 -15.858 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -10.532 -14.741 0.455 1.00 0.00 H new ATOM 1397 N SER A 125 -8.286 -15.287 1.351 1.00 0.00 N ATOM 1398 CA SER A 125 -6.963 -15.693 1.809 1.00 0.00 C ATOM 1399 C SER A 125 -6.914 -17.196 2.065 1.00 0.00 C ATOM 1400 O SER A 125 -6.330 -17.652 3.048 1.00 0.00 O ATOM 1401 CB SER A 125 -6.586 -14.935 3.084 1.00 0.00 C ATOM 1402 OG SER A 125 -5.244 -15.197 3.455 1.00 0.00 O ATOM 0 H SER A 125 -8.296 -14.841 0.434 1.00 0.00 H new ATOM 0 HA SER A 125 -6.245 -15.452 1.025 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.721 -13.865 2.928 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.254 -15.226 3.895 1.00 0.00 H new ATOM 0 HG SER A 125 -5.098 -16.165 3.493 1.00 0.00 H new ATOM 1408 N GLY A 126 -7.533 -17.963 1.172 1.00 0.00 N ATOM 1409 CA GLY A 126 -7.550 -19.406 1.318 1.00 0.00 C ATOM 1410 C GLY A 126 -8.957 -19.964 1.407 1.00 0.00 C ATOM 1411 O GLY A 126 -9.864 -19.334 1.951 1.00 0.00 O ATOM 0 H GLY A 126 -8.023 -17.610 0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -7.036 -19.860 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -6.995 -19.684 2.214 1.00 0.00 H new ATOM 1415 N PRO A 127 -9.153 -21.173 0.861 1.00 0.00 N ATOM 1416 CA PRO A 127 -10.458 -21.842 0.867 1.00 0.00 C ATOM 1417 C PRO A 127 -10.869 -22.297 2.263 1.00 0.00 C ATOM 1418 O PRO A 127 -12.054 -22.481 2.542 1.00 0.00 O ATOM 1419 CB PRO A 127 -10.241 -23.050 -0.048 1.00 0.00 C ATOM 1420 CG PRO A 127 -8.778 -23.321 0.022 1.00 0.00 C ATOM 1421 CD PRO A 127 -8.117 -21.981 0.196 1.00 0.00 C ATOM 0 HA PRO A 127 -11.258 -21.179 0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -10.819 -23.910 0.289 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -10.555 -22.834 -1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -8.543 -23.983 0.855 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -8.428 -23.814 -0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -7.214 -22.054 0.802 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -7.824 -21.550 -0.761 1.00 0.00 H new ATOM 1429 N SER A 128 -9.884 -22.476 3.136 1.00 0.00 N ATOM 1430 CA SER A 128 -10.144 -22.913 4.503 1.00 0.00 C ATOM 1431 C SER A 128 -11.348 -22.181 5.088 1.00 0.00 C ATOM 1432 O SER A 128 -12.341 -22.801 5.466 1.00 0.00 O ATOM 1433 CB SER A 128 -8.913 -22.676 5.380 1.00 0.00 C ATOM 1434 OG SER A 128 -9.020 -23.373 6.609 1.00 0.00 O ATOM 0 H SER A 128 -8.898 -22.325 2.922 1.00 0.00 H new ATOM 0 HA SER A 128 -10.365 -23.980 4.481 1.00 0.00 H new ATOM 0 HB2 SER A 128 -8.017 -23.001 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 128 -8.800 -21.609 5.572 1.00 0.00 H new ATOM 0 HG SER A 128 -8.220 -23.206 7.150 1.00 0.00 H new ATOM 1440 N SER A 129 -11.250 -20.857 5.158 1.00 0.00 N ATOM 1441 CA SER A 129 -12.329 -20.039 5.700 1.00 0.00 C ATOM 1442 C SER A 129 -13.409 -19.799 4.650 1.00 0.00 C ATOM 1443 O SER A 129 -13.282 -20.227 3.503 1.00 0.00 O ATOM 1444 CB SER A 129 -11.781 -18.701 6.200 1.00 0.00 C ATOM 1445 OG SER A 129 -11.056 -18.865 7.407 1.00 0.00 O ATOM 0 H SER A 129 -10.435 -20.328 4.846 1.00 0.00 H new ATOM 0 HA SER A 129 -12.774 -20.577 6.537 1.00 0.00 H new ATOM 0 HB2 SER A 129 -11.134 -18.263 5.440 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.604 -18.004 6.358 1.00 0.00 H new ATOM 0 HG SER A 129 -10.715 -17.996 7.704 1.00 0.00 H new ATOM 1451 N GLY A 130 -14.473 -19.109 5.050 1.00 0.00 N ATOM 1452 CA GLY A 130 -15.560 -18.823 4.133 1.00 0.00 C ATOM 1453 C GLY A 130 -16.575 -19.947 4.068 1.00 0.00 C ATOM 1454 O GLY A 130 -17.699 -19.806 4.550 1.00 0.00 O ATOM 0 H GLY A 130 -14.601 -18.743 5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -16.059 -17.904 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -15.154 -18.646 3.137 1.00 0.00 H new TER 1458 GLY A 130