USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 619 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 55 THR OG1 : rot 114:sc= 0.206 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.191 USER MOD Set 2.1: A 34 THR OG1 : rot -70:sc= -0.776 USER MOD Set 2.2: A 41 GLN : amide:sc= -6.22! K(o=-7!,f=-2.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 31:sc= 0.425 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00126 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.73! K(o=-2.7!,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= -2.75! (180deg=-2.83) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0767 K(o=-0.077,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.18 X(o=-2.2,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0409 (180deg=-0.501) USER MOD Single : A 49 GLN : amide:sc= -0.222 K(o=-0.22,f=-2.1) USER MOD Single : A 59 TYR OH : rot 15:sc= 0.228 USER MOD Single : A 60 ASN : amide:sc= -0.236 K(o=-0.24,f=-1) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ -131:sc= -2.67! (180deg=-4.55!) USER MOD Single : A 65 SER OG : rot -96:sc= 0.809 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -2.85! K(o=-2.8!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.041 23.910 2.043 1.00 0.00 N ATOM 2 CA MET A 1 25.259 24.461 3.185 1.00 0.00 C ATOM 3 C MET A 1 26.134 25.432 3.973 1.00 0.00 C ATOM 4 O MET A 1 26.886 25.025 4.856 1.00 0.00 O ATOM 5 CB MET A 1 24.804 23.311 4.086 1.00 0.00 C ATOM 6 CG MET A 1 23.936 23.859 5.219 1.00 0.00 C ATOM 7 SD MET A 1 23.196 22.481 6.131 1.00 0.00 S ATOM 8 CE MET A 1 24.511 22.281 7.357 1.00 0.00 C ATOM 0 H1 MET A 1 25.448 23.248 1.504 1.00 0.00 H new ATOM 0 H2 MET A 1 26.344 24.688 1.422 1.00 0.00 H new ATOM 0 H3 MET A 1 26.878 23.409 2.405 1.00 0.00 H new ATOM 0 HA MET A 1 24.382 24.992 2.814 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.242 22.581 3.504 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.671 22.793 4.496 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.539 24.471 5.890 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.155 24.503 4.815 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.255 21.467 8.035 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.448 22.051 6.851 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.623 23.205 7.925 1.00 0.00 H new ATOM 18 N GLN A 2 26.032 26.717 3.639 1.00 0.00 N ATOM 19 CA GLN A 2 26.822 27.750 4.312 1.00 0.00 C ATOM 20 C GLN A 2 26.038 28.373 5.464 1.00 0.00 C ATOM 21 O GLN A 2 24.859 28.079 5.662 1.00 0.00 O ATOM 22 CB GLN A 2 27.196 28.849 3.315 1.00 0.00 C ATOM 23 CG GLN A 2 28.250 28.327 2.337 1.00 0.00 C ATOM 24 CD GLN A 2 28.553 29.394 1.289 1.00 0.00 C ATOM 25 OE1 GLN A 2 28.084 30.527 1.403 1.00 0.00 O ATOM 26 NE2 GLN A 2 29.311 29.099 0.269 1.00 0.00 N ATOM 0 H GLN A 2 25.413 27.069 2.909 1.00 0.00 H new ATOM 0 HA GLN A 2 27.723 27.281 4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.310 29.174 2.769 1.00 0.00 H new ATOM 0 HB3 GLN A 2 27.580 29.719 3.847 1.00 0.00 H new ATOM 0 HG2 GLN A 2 29.160 28.063 2.875 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.892 27.419 1.852 1.00 0.00 H new ATOM 0 HE21 GLN A 2 29.699 28.160 0.176 1.00 0.00 H new ATOM 0 HE22 GLN A 2 29.516 29.807 -0.436 1.00 0.00 H new ATOM 35 N ILE A 3 26.707 29.247 6.214 1.00 0.00 N ATOM 36 CA ILE A 3 26.079 29.931 7.343 1.00 0.00 C ATOM 37 C ILE A 3 26.699 31.313 7.529 1.00 0.00 C ATOM 38 O ILE A 3 27.898 31.497 7.319 1.00 0.00 O ATOM 39 CB ILE A 3 26.256 29.113 8.623 1.00 0.00 C ATOM 40 CG1 ILE A 3 27.735 28.749 8.802 1.00 0.00 C ATOM 41 CG2 ILE A 3 25.414 27.838 8.535 1.00 0.00 C ATOM 42 CD1 ILE A 3 27.953 28.172 10.202 1.00 0.00 C ATOM 0 H ILE A 3 27.684 29.498 6.060 1.00 0.00 H new ATOM 0 HA ILE A 3 25.015 30.040 7.134 1.00 0.00 H new ATOM 0 HB ILE A 3 25.927 29.702 9.479 1.00 0.00 H new ATOM 0 HG12 ILE A 3 28.036 28.023 8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.358 29.632 8.660 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.540 27.255 9.447 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.363 28.103 8.416 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.738 27.246 7.679 1.00 0.00 H new ATOM 0 HD11 ILE A 3 29.004 27.913 10.329 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.669 28.913 10.949 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.342 27.278 10.326 1.00 0.00 H new ATOM 54 N PHE A 4 25.876 32.283 7.922 1.00 0.00 N ATOM 55 CA PHE A 4 26.354 33.651 8.134 1.00 0.00 C ATOM 56 C PHE A 4 26.560 33.924 9.622 1.00 0.00 C ATOM 57 O PHE A 4 25.622 33.850 10.417 1.00 0.00 O ATOM 58 CB PHE A 4 25.344 34.662 7.567 1.00 0.00 C ATOM 59 CG PHE A 4 24.801 34.208 6.220 1.00 0.00 C ATOM 60 CD1 PHE A 4 25.568 33.411 5.348 1.00 0.00 C ATOM 61 CD2 PHE A 4 23.513 34.606 5.839 1.00 0.00 C ATOM 62 CE1 PHE A 4 25.040 33.022 4.110 1.00 0.00 C ATOM 63 CE2 PHE A 4 22.990 34.212 4.602 1.00 0.00 C ATOM 64 CZ PHE A 4 23.754 33.421 3.739 1.00 0.00 C ATOM 0 H PHE A 4 24.880 32.150 8.100 1.00 0.00 H new ATOM 0 HA PHE A 4 27.307 33.761 7.616 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.520 34.788 8.269 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.823 35.635 7.459 1.00 0.00 H new ATOM 0 HD1 PHE A 4 26.562 33.100 5.633 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.921 35.219 6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 4 25.629 32.412 3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.995 34.519 4.314 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.349 33.118 2.785 1.00 0.00 H new ATOM 74 N VAL A 5 27.799 34.252 9.984 1.00 0.00 N ATOM 75 CA VAL A 5 28.141 34.553 11.375 1.00 0.00 C ATOM 76 C VAL A 5 27.908 36.042 11.645 1.00 0.00 C ATOM 77 O VAL A 5 28.447 36.900 10.946 1.00 0.00 O ATOM 78 CB VAL A 5 29.624 34.185 11.651 1.00 0.00 C ATOM 79 CG1 VAL A 5 29.722 32.787 12.280 1.00 0.00 C ATOM 80 CG2 VAL A 5 30.405 34.199 10.334 1.00 0.00 C ATOM 0 H VAL A 5 28.583 34.316 9.335 1.00 0.00 H new ATOM 0 HA VAL A 5 27.508 33.964 12.038 1.00 0.00 H new ATOM 0 HB VAL A 5 30.044 34.916 12.343 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.768 32.545 12.467 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.172 32.772 13.221 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.295 32.051 11.599 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.446 33.941 10.526 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.972 33.473 9.646 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.353 35.194 9.891 1.00 0.00 H new ATOM 90 N LYS A 6 27.104 36.338 12.661 1.00 0.00 N ATOM 91 CA LYS A 6 26.802 37.724 13.016 1.00 0.00 C ATOM 92 C LYS A 6 27.794 38.239 14.057 1.00 0.00 C ATOM 93 O LYS A 6 27.722 37.870 15.229 1.00 0.00 O ATOM 94 CB LYS A 6 25.381 37.817 13.576 1.00 0.00 C ATOM 95 CG LYS A 6 24.996 39.287 13.750 1.00 0.00 C ATOM 96 CD LYS A 6 23.572 39.380 14.301 1.00 0.00 C ATOM 97 CE LYS A 6 23.175 40.850 14.450 1.00 0.00 C ATOM 98 NZ LYS A 6 21.763 40.939 14.920 1.00 0.00 N1+ ATOM 0 H LYS A 6 26.650 35.641 13.252 1.00 0.00 H new ATOM 0 HA LYS A 6 26.883 38.337 12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.680 37.324 12.902 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.321 37.299 14.533 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.693 39.778 14.429 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.062 39.807 12.794 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.878 38.871 13.632 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.511 38.877 15.266 1.00 0.00 H new ATOM 0 HE2 LYS A 6 23.837 41.346 15.159 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.285 41.366 13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.493 41.938 15.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.137 40.480 14.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.672 40.461 15.839 1.00 0.00 H new ATOM 112 N GLY A 7 28.716 39.091 13.621 1.00 0.00 N ATOM 113 CA GLY A 7 29.713 39.648 14.528 1.00 0.00 C ATOM 114 C GLY A 7 29.073 40.635 15.497 1.00 0.00 C ATOM 115 O GLY A 7 27.910 41.007 15.339 1.00 0.00 O ATOM 0 H GLY A 7 28.794 39.408 12.655 1.00 0.00 H new ATOM 0 HA2 GLY A 7 30.193 38.844 15.086 1.00 0.00 H new ATOM 0 HA3 GLY A 7 30.493 40.149 13.955 1.00 0.00 H new ATOM 119 N LEU A 8 29.836 41.054 16.502 1.00 0.00 N ATOM 120 CA LEU A 8 29.325 41.998 17.490 1.00 0.00 C ATOM 121 C LEU A 8 28.963 43.324 16.823 1.00 0.00 C ATOM 122 O LEU A 8 27.933 43.922 17.136 1.00 0.00 O ATOM 123 CB LEU A 8 30.375 42.243 18.578 1.00 0.00 C ATOM 124 CG LEU A 8 30.725 40.925 19.286 1.00 0.00 C ATOM 125 CD1 LEU A 8 31.960 41.140 20.166 1.00 0.00 C ATOM 126 CD2 LEU A 8 29.551 40.455 20.164 1.00 0.00 C ATOM 0 H LEU A 8 30.800 40.759 16.653 1.00 0.00 H new ATOM 0 HA LEU A 8 28.430 41.571 17.942 1.00 0.00 H new ATOM 0 HB2 LEU A 8 31.272 42.676 18.136 1.00 0.00 H new ATOM 0 HB3 LEU A 8 29.997 42.964 19.303 1.00 0.00 H new ATOM 0 HG LEU A 8 30.927 40.163 18.534 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.213 40.208 20.671 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.798 41.456 19.545 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.748 41.909 20.909 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.817 39.520 20.657 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.333 41.213 20.916 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.671 40.298 19.541 1.00 0.00 H new ATOM 138 N THR A 9 29.816 43.780 15.905 1.00 0.00 N ATOM 139 CA THR A 9 29.573 45.043 15.204 1.00 0.00 C ATOM 140 C THR A 9 30.175 45.015 13.800 1.00 0.00 C ATOM 141 O THR A 9 29.932 45.914 12.996 1.00 0.00 O ATOM 142 CB THR A 9 30.187 46.199 15.996 1.00 0.00 C ATOM 143 OG1 THR A 9 31.577 45.960 16.177 1.00 0.00 O ATOM 144 CG2 THR A 9 29.504 46.308 17.361 1.00 0.00 C ATOM 0 H THR A 9 30.673 43.300 15.631 1.00 0.00 H new ATOM 0 HA THR A 9 28.496 45.183 15.117 1.00 0.00 H new ATOM 0 HB THR A 9 30.045 47.130 15.448 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.973 46.700 16.683 1.00 0.00 H new ATOM 0 HG21 THR A 9 29.943 47.132 17.923 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.439 46.491 17.221 1.00 0.00 H new ATOM 0 HG23 THR A 9 29.643 45.378 17.913 1.00 0.00 H new ATOM 152 N GLY A 10 30.963 43.984 13.511 1.00 0.00 N ATOM 153 CA GLY A 10 31.597 43.861 12.200 1.00 0.00 C ATOM 154 C GLY A 10 30.637 43.258 11.180 1.00 0.00 C ATOM 155 O GLY A 10 29.508 42.895 11.512 1.00 0.00 O ATOM 0 H GLY A 10 31.177 43.227 14.160 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.926 44.842 11.858 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.487 43.236 12.280 1.00 0.00 H new ATOM 159 N LYS A 11 31.096 43.153 9.935 1.00 0.00 N ATOM 160 CA LYS A 11 30.273 42.589 8.870 1.00 0.00 C ATOM 161 C LYS A 11 30.144 41.078 9.037 1.00 0.00 C ATOM 162 O LYS A 11 30.871 40.467 9.821 1.00 0.00 O ATOM 163 CB LYS A 11 30.894 42.901 7.505 1.00 0.00 C ATOM 164 CG LYS A 11 30.725 44.389 7.192 1.00 0.00 C ATOM 165 CD LYS A 11 31.308 44.686 5.808 1.00 0.00 C ATOM 166 CE LYS A 11 31.181 46.182 5.506 1.00 0.00 C ATOM 167 NZ LYS A 11 31.677 46.451 4.126 1.00 0.00 N1+ ATOM 0 H LYS A 11 32.027 43.449 9.641 1.00 0.00 H new ATOM 0 HA LYS A 11 29.281 43.038 8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.952 42.637 7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.417 42.300 6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.670 44.660 7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.229 44.991 7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.355 44.385 5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.783 44.106 5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.141 46.496 5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.755 46.761 6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.592 47.466 3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.674 46.165 4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.111 45.909 3.442 1.00 0.00 H new ATOM 181 N THR A 12 29.213 40.482 8.298 1.00 0.00 N ATOM 182 CA THR A 12 28.995 39.041 8.373 1.00 0.00 C ATOM 183 C THR A 12 30.042 38.295 7.551 1.00 0.00 C ATOM 184 O THR A 12 30.746 38.891 6.736 1.00 0.00 O ATOM 185 CB THR A 12 27.596 38.697 7.853 1.00 0.00 C ATOM 186 OG1 THR A 12 27.478 39.125 6.504 1.00 0.00 O ATOM 187 CG2 THR A 12 26.540 39.402 8.707 1.00 0.00 C ATOM 0 H THR A 12 28.601 40.971 7.644 1.00 0.00 H new ATOM 0 HA THR A 12 29.082 38.734 9.415 1.00 0.00 H new ATOM 0 HB THR A 12 27.443 37.619 7.910 1.00 0.00 H new ATOM 0 HG1 THR A 12 26.584 38.905 6.168 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.546 39.155 8.334 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.631 39.074 9.742 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.690 40.480 8.654 1.00 0.00 H new ATOM 195 N THR A 13 30.137 36.985 7.772 1.00 0.00 N ATOM 196 CA THR A 13 31.099 36.153 7.049 1.00 0.00 C ATOM 197 C THR A 13 30.489 34.783 6.740 1.00 0.00 C ATOM 198 O THR A 13 29.959 34.116 7.623 1.00 0.00 O ATOM 199 CB THR A 13 32.380 36.003 7.887 1.00 0.00 C ATOM 200 OG1 THR A 13 33.104 37.226 7.857 1.00 0.00 O ATOM 201 CG2 THR A 13 33.256 34.883 7.323 1.00 0.00 C ATOM 0 H THR A 13 29.562 36.477 8.444 1.00 0.00 H new ATOM 0 HA THR A 13 31.351 36.632 6.103 1.00 0.00 H new ATOM 0 HB THR A 13 32.107 35.755 8.913 1.00 0.00 H new ATOM 0 HG1 THR A 13 33.921 37.136 8.391 1.00 0.00 H new ATOM 0 HG21 THR A 13 34.159 34.789 7.926 1.00 0.00 H new ATOM 0 HG22 THR A 13 32.704 33.943 7.346 1.00 0.00 H new ATOM 0 HG23 THR A 13 33.530 35.118 6.294 1.00 0.00 H new ATOM 209 N THR A 14 30.565 34.374 5.476 1.00 0.00 N ATOM 210 CA THR A 14 30.016 33.084 5.063 1.00 0.00 C ATOM 211 C THR A 14 31.037 31.971 5.286 1.00 0.00 C ATOM 212 O THR A 14 32.162 32.039 4.789 1.00 0.00 O ATOM 213 CB THR A 14 29.630 33.135 3.582 1.00 0.00 C ATOM 214 OG1 THR A 14 30.775 33.459 2.807 1.00 0.00 O ATOM 215 CG2 THR A 14 28.548 34.198 3.362 1.00 0.00 C ATOM 0 H THR A 14 30.998 34.912 4.725 1.00 0.00 H new ATOM 0 HA THR A 14 29.131 32.875 5.664 1.00 0.00 H new ATOM 0 HB THR A 14 29.244 32.162 3.278 1.00 0.00 H new ATOM 0 HG1 THR A 14 31.578 33.114 3.250 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.278 34.229 2.306 1.00 0.00 H new ATOM 0 HG22 THR A 14 27.668 33.949 3.955 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.928 35.173 3.668 1.00 0.00 H new ATOM 223 N LEU A 15 30.637 30.943 6.038 1.00 0.00 N ATOM 224 CA LEU A 15 31.520 29.808 6.328 1.00 0.00 C ATOM 225 C LEU A 15 31.004 28.542 5.651 1.00 0.00 C ATOM 226 O LEU A 15 29.799 28.294 5.611 1.00 0.00 O ATOM 227 CB LEU A 15 31.586 29.571 7.843 1.00 0.00 C ATOM 228 CG LEU A 15 32.116 30.827 8.558 1.00 0.00 C ATOM 229 CD1 LEU A 15 31.687 30.805 10.029 1.00 0.00 C ATOM 230 CD2 LEU A 15 33.648 30.865 8.492 1.00 0.00 C ATOM 0 H LEU A 15 29.710 30.872 6.457 1.00 0.00 H new ATOM 0 HA LEU A 15 32.514 30.041 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.595 29.319 8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.235 28.722 8.057 1.00 0.00 H new ATOM 0 HG LEU A 15 31.706 31.708 8.063 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.064 31.696 10.531 1.00 0.00 H new ATOM 0 HD12 LEU A 15 30.599 30.787 10.090 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.092 29.916 10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.012 31.758 9.001 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.055 29.979 8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.967 30.886 7.450 1.00 0.00 H new ATOM 242 N GLU A 16 31.929 27.738 5.132 1.00 0.00 N ATOM 243 CA GLU A 16 31.561 26.489 4.470 1.00 0.00 C ATOM 244 C GLU A 16 31.430 25.374 5.501 1.00 0.00 C ATOM 245 O GLU A 16 32.389 25.050 6.201 1.00 0.00 O ATOM 246 CB GLU A 16 32.623 26.115 3.433 1.00 0.00 C ATOM 247 CG GLU A 16 32.191 24.849 2.691 1.00 0.00 C ATOM 248 CD GLU A 16 33.143 24.573 1.532 1.00 0.00 C ATOM 249 OE1 GLU A 16 34.218 25.151 1.525 1.00 0.00 O ATOM 250 OE2 GLU A 16 32.784 23.791 0.668 1.00 0.00 O1- ATOM 0 H GLU A 16 32.931 27.927 5.156 1.00 0.00 H new ATOM 0 HA GLU A 16 30.604 26.623 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.761 26.934 2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.583 25.952 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.183 24.001 3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.174 24.966 2.317 1.00 0.00 H new ATOM 257 N VAL A 17 30.233 24.793 5.598 1.00 0.00 N ATOM 258 CA VAL A 17 29.979 23.718 6.559 1.00 0.00 C ATOM 259 C VAL A 17 29.085 22.643 5.942 1.00 0.00 C ATOM 260 O VAL A 17 28.510 22.839 4.872 1.00 0.00 O ATOM 261 CB VAL A 17 29.306 24.288 7.812 1.00 0.00 C ATOM 262 CG1 VAL A 17 30.213 25.343 8.449 1.00 0.00 C ATOM 263 CG2 VAL A 17 27.975 24.940 7.435 1.00 0.00 C ATOM 0 H VAL A 17 29.428 25.047 5.026 1.00 0.00 H new ATOM 0 HA VAL A 17 30.933 23.266 6.831 1.00 0.00 H new ATOM 0 HB VAL A 17 29.130 23.477 8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.732 25.747 9.340 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.164 24.887 8.725 1.00 0.00 H new ATOM 0 HG13 VAL A 17 30.391 26.148 7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.501 25.343 8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 17 28.153 25.747 6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.320 24.195 6.982 1.00 0.00 H new ATOM 273 N GLU A 18 28.969 21.509 6.633 1.00 0.00 N ATOM 274 CA GLU A 18 28.139 20.401 6.159 1.00 0.00 C ATOM 275 C GLU A 18 27.549 19.644 7.357 1.00 0.00 C ATOM 276 O GLU A 18 28.136 19.652 8.439 1.00 0.00 O ATOM 277 CB GLU A 18 28.989 19.445 5.306 1.00 0.00 C ATOM 278 CG GLU A 18 29.158 20.017 3.895 1.00 0.00 C ATOM 279 CD GLU A 18 29.947 19.041 3.028 1.00 0.00 C ATOM 280 OE1 GLU A 18 29.672 17.855 3.104 1.00 0.00 O ATOM 281 OE2 GLU A 18 30.816 19.495 2.302 1.00 0.00 O1- ATOM 0 H GLU A 18 29.438 21.333 7.521 1.00 0.00 H new ATOM 0 HA GLU A 18 27.325 20.797 5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.965 19.301 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.512 18.466 5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 18 28.181 20.204 3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.675 20.975 3.942 1.00 0.00 H new ATOM 288 N PRO A 19 26.418 18.989 7.199 1.00 0.00 N ATOM 289 CA PRO A 19 25.788 18.225 8.315 1.00 0.00 C ATOM 290 C PRO A 19 26.814 17.427 9.122 1.00 0.00 C ATOM 291 O PRO A 19 26.792 17.436 10.353 1.00 0.00 O ATOM 292 CB PRO A 19 24.803 17.295 7.599 1.00 0.00 C ATOM 293 CG PRO A 19 24.405 18.035 6.361 1.00 0.00 C ATOM 294 CD PRO A 19 25.612 18.902 5.962 1.00 0.00 C ATOM 0 HA PRO A 19 25.311 18.879 9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.268 16.339 7.356 1.00 0.00 H new ATOM 0 HB3 PRO A 19 23.938 17.079 8.225 1.00 0.00 H new ATOM 0 HG2 PRO A 19 24.145 17.341 5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 19 23.527 18.654 6.545 1.00 0.00 H new ATOM 0 HD2 PRO A 19 26.178 18.448 5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 19 25.299 19.888 5.620 1.00 0.00 H new ATOM 302 N SER A 20 27.707 16.736 8.418 1.00 0.00 N ATOM 303 CA SER A 20 28.732 15.934 9.080 1.00 0.00 C ATOM 304 C SER A 20 29.774 16.826 9.748 1.00 0.00 C ATOM 305 O SER A 20 30.330 16.473 10.788 1.00 0.00 O ATOM 306 CB SER A 20 29.417 15.019 8.066 1.00 0.00 C ATOM 307 OG SER A 20 29.897 15.799 6.979 1.00 0.00 O ATOM 0 H SER A 20 27.742 16.715 7.399 1.00 0.00 H new ATOM 0 HA SER A 20 28.247 15.330 9.847 1.00 0.00 H new ATOM 0 HB2 SER A 20 30.242 14.486 8.539 1.00 0.00 H new ATOM 0 HB3 SER A 20 28.716 14.266 7.707 1.00 0.00 H new ATOM 0 HG SER A 20 30.339 15.215 6.327 1.00 0.00 H new ATOM 313 N ASP A 21 30.039 17.980 9.146 1.00 0.00 N ATOM 314 CA ASP A 21 31.020 18.907 9.696 1.00 0.00 C ATOM 315 C ASP A 21 30.698 19.222 11.152 1.00 0.00 C ATOM 316 O ASP A 21 29.738 19.934 11.445 1.00 0.00 O ATOM 317 CB ASP A 21 31.034 20.203 8.880 1.00 0.00 C ATOM 318 CG ASP A 21 32.300 20.998 9.181 1.00 0.00 C ATOM 319 OD1 ASP A 21 33.361 20.395 9.213 1.00 0.00 O1- ATOM 320 OD2 ASP A 21 32.192 22.198 9.375 1.00 0.00 O ATOM 0 H ASP A 21 29.592 18.294 8.284 1.00 0.00 H new ATOM 0 HA ASP A 21 32.003 18.439 9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 21 30.984 19.972 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.154 20.801 9.118 1.00 0.00 H new ATOM 325 N THR A 22 31.505 18.684 12.061 1.00 0.00 N ATOM 326 CA THR A 22 31.293 18.913 13.484 1.00 0.00 C ATOM 327 C THR A 22 31.627 20.354 13.848 1.00 0.00 C ATOM 328 O THR A 22 32.238 21.078 13.062 1.00 0.00 O ATOM 329 CB THR A 22 32.165 17.960 14.303 1.00 0.00 C ATOM 330 OG1 THR A 22 33.528 18.344 14.181 1.00 0.00 O ATOM 331 CG2 THR A 22 31.988 16.532 13.784 1.00 0.00 C ATOM 0 H THR A 22 32.305 18.091 11.839 1.00 0.00 H new ATOM 0 HA THR A 22 30.243 18.727 13.711 1.00 0.00 H new ATOM 0 HB THR A 22 31.867 18.004 15.351 1.00 0.00 H new ATOM 0 HG1 THR A 22 34.088 17.735 14.707 1.00 0.00 H new ATOM 0 HG21 THR A 22 32.610 15.853 14.368 1.00 0.00 H new ATOM 0 HG22 THR A 22 30.943 16.238 13.877 1.00 0.00 H new ATOM 0 HG23 THR A 22 32.286 16.486 12.736 1.00 0.00 H new ATOM 339 N ILE A 23 31.214 20.767 15.040 1.00 0.00 N ATOM 340 CA ILE A 23 31.462 22.128 15.499 1.00 0.00 C ATOM 341 C ILE A 23 32.960 22.407 15.587 1.00 0.00 C ATOM 342 O ILE A 23 33.423 23.479 15.198 1.00 0.00 O ATOM 343 CB ILE A 23 30.816 22.338 16.869 1.00 0.00 C ATOM 344 CG1 ILE A 23 29.382 21.792 16.849 1.00 0.00 C ATOM 345 CG2 ILE A 23 30.793 23.830 17.204 1.00 0.00 C ATOM 346 CD1 ILE A 23 28.612 22.362 15.655 1.00 0.00 C ATOM 0 H ILE A 23 30.708 20.181 15.704 1.00 0.00 H new ATOM 0 HA ILE A 23 31.024 22.819 14.779 1.00 0.00 H new ATOM 0 HB ILE A 23 31.394 21.809 17.626 1.00 0.00 H new ATOM 0 HG12 ILE A 23 29.401 20.704 16.792 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.873 22.054 17.777 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.332 23.977 18.181 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.813 24.214 17.223 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.218 24.364 16.448 1.00 0.00 H new ATOM 0 HD11 ILE A 23 27.597 21.966 15.654 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.577 23.449 15.730 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.113 22.078 14.730 1.00 0.00 H new ATOM 358 N GLU A 24 33.714 21.440 16.102 1.00 0.00 N ATOM 359 CA GLU A 24 35.159 21.601 16.234 1.00 0.00 C ATOM 360 C GLU A 24 35.755 22.200 14.962 1.00 0.00 C ATOM 361 O GLU A 24 36.585 23.106 15.021 1.00 0.00 O ATOM 362 CB GLU A 24 35.810 20.246 16.516 1.00 0.00 C ATOM 363 CG GLU A 24 37.306 20.440 16.770 1.00 0.00 C ATOM 364 CD GLU A 24 37.931 19.126 17.228 1.00 0.00 C ATOM 365 OE1 GLU A 24 37.183 18.226 17.573 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 39.148 19.039 17.228 1.00 0.00 O ATOM 0 H GLU A 24 33.353 20.545 16.432 1.00 0.00 H new ATOM 0 HA GLU A 24 35.354 22.280 17.064 1.00 0.00 H new ATOM 0 HB2 GLU A 24 35.341 19.779 17.382 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.658 19.575 15.671 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.796 20.788 15.860 1.00 0.00 H new ATOM 0 HG3 GLU A 24 37.458 21.208 17.528 1.00 0.00 H new ATOM 373 N ASN A 25 35.322 21.688 13.815 1.00 0.00 N ATOM 374 CA ASN A 25 35.819 22.180 12.535 1.00 0.00 C ATOM 375 C ASN A 25 35.395 23.631 12.315 1.00 0.00 C ATOM 376 O ASN A 25 36.186 24.456 11.856 1.00 0.00 O ATOM 377 CB ASN A 25 35.279 21.312 11.397 1.00 0.00 C ATOM 378 CG ASN A 25 35.844 21.790 10.063 1.00 0.00 C ATOM 379 OD1 ASN A 25 37.057 21.757 9.853 1.00 0.00 O ATOM 380 ND2 ASN A 25 35.032 22.239 9.146 1.00 0.00 N ATOM 0 H ASN A 25 34.634 20.939 13.745 1.00 0.00 H new ATOM 0 HA ASN A 25 36.908 22.129 12.547 1.00 0.00 H new ATOM 0 HB2 ASN A 25 35.550 20.270 11.564 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.190 21.359 11.378 1.00 0.00 H new ATOM 0 HD21 ASN A 25 35.401 22.564 8.252 1.00 0.00 H new ATOM 0 HD22 ASN A 25 34.028 22.265 9.323 1.00 0.00 H new ATOM 387 N VAL A 26 34.139 23.931 12.632 1.00 0.00 N ATOM 388 CA VAL A 26 33.615 25.283 12.451 1.00 0.00 C ATOM 389 C VAL A 26 34.457 26.302 13.215 1.00 0.00 C ATOM 390 O VAL A 26 34.863 27.324 12.662 1.00 0.00 O ATOM 391 CB VAL A 26 32.169 25.354 12.938 1.00 0.00 C ATOM 392 CG1 VAL A 26 31.586 26.728 12.604 1.00 0.00 C ATOM 393 CG2 VAL A 26 31.344 24.266 12.246 1.00 0.00 C ATOM 0 H VAL A 26 33.469 23.263 13.013 1.00 0.00 H new ATOM 0 HA VAL A 26 33.656 25.521 11.388 1.00 0.00 H new ATOM 0 HB VAL A 26 32.140 25.200 14.017 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.554 26.780 12.951 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.174 27.502 13.097 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.614 26.883 11.525 1.00 0.00 H new ATOM 0 HG21 VAL A 26 30.312 24.316 12.593 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.372 24.419 11.167 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.760 23.287 12.484 1.00 0.00 H new ATOM 403 N LYS A 27 34.719 26.018 14.488 1.00 0.00 N ATOM 404 CA LYS A 27 35.518 26.924 15.309 1.00 0.00 C ATOM 405 C LYS A 27 36.914 27.086 14.716 1.00 0.00 C ATOM 406 O LYS A 27 37.504 28.164 14.783 1.00 0.00 O ATOM 407 CB LYS A 27 35.629 26.381 16.739 1.00 0.00 C ATOM 408 CG LYS A 27 34.304 26.588 17.476 1.00 0.00 C ATOM 409 CD LYS A 27 34.435 26.070 18.912 1.00 0.00 C ATOM 410 CE LYS A 27 33.181 26.437 19.712 1.00 0.00 C ATOM 411 NZ LYS A 27 32.056 25.546 19.310 1.00 0.00 N1+ ATOM 0 H LYS A 27 34.395 25.179 14.969 1.00 0.00 H new ATOM 0 HA LYS A 27 35.025 27.896 15.330 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.882 25.321 16.717 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.434 26.889 17.269 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.040 27.645 17.482 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.502 26.061 16.959 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.571 24.989 18.907 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.318 26.500 19.385 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.375 26.336 20.780 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.915 27.479 19.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.291 25.614 20.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.698 25.838 18.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.393 24.563 19.259 1.00 0.00 H new ATOM 425 N ALA A 28 37.437 26.011 14.133 1.00 0.00 N ATOM 426 CA ALA A 28 38.763 26.053 13.528 1.00 0.00 C ATOM 427 C ALA A 28 38.777 27.014 12.344 1.00 0.00 C ATOM 428 O ALA A 28 39.730 27.770 12.157 1.00 0.00 O ATOM 429 CB ALA A 28 39.172 24.656 13.061 1.00 0.00 C ATOM 0 H ALA A 28 36.967 25.108 14.067 1.00 0.00 H new ATOM 0 HA ALA A 28 39.473 26.404 14.277 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.164 24.699 12.611 1.00 0.00 H new ATOM 0 HB2 ALA A 28 39.190 23.978 13.914 1.00 0.00 H new ATOM 0 HB3 ALA A 28 38.455 24.294 12.325 1.00 0.00 H new ATOM 435 N LYS A 29 37.707 26.986 11.555 1.00 0.00 N ATOM 436 CA LYS A 29 37.600 27.870 10.400 1.00 0.00 C ATOM 437 C LYS A 29 37.515 29.316 10.869 1.00 0.00 C ATOM 438 O LYS A 29 38.147 30.207 10.302 1.00 0.00 O ATOM 439 CB LYS A 29 36.349 27.520 9.585 1.00 0.00 C ATOM 440 CG LYS A 29 36.518 26.150 8.905 1.00 0.00 C ATOM 441 CD LYS A 29 37.341 26.284 7.614 1.00 0.00 C ATOM 442 CE LYS A 29 37.269 24.975 6.826 1.00 0.00 C ATOM 443 NZ LYS A 29 38.049 25.114 5.562 1.00 0.00 N1+ ATOM 0 H LYS A 29 36.908 26.366 11.693 1.00 0.00 H new ATOM 0 HA LYS A 29 38.482 27.743 9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.475 27.504 10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.171 28.288 8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.012 25.458 9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.539 25.728 8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.958 27.106 7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 29 38.378 26.520 7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 29 37.668 24.155 7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.231 24.730 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.001 24.225 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.649 25.886 4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.041 25.329 5.788 1.00 0.00 H new ATOM 457 N ILE A 30 36.726 29.534 11.913 1.00 0.00 N ATOM 458 CA ILE A 30 36.547 30.866 12.472 1.00 0.00 C ATOM 459 C ILE A 30 37.876 31.415 12.992 1.00 0.00 C ATOM 460 O ILE A 30 38.180 32.593 12.813 1.00 0.00 O ATOM 461 CB ILE A 30 35.516 30.806 13.604 1.00 0.00 C ATOM 462 CG1 ILE A 30 34.134 30.521 13.009 1.00 0.00 C ATOM 463 CG2 ILE A 30 35.482 32.136 14.361 1.00 0.00 C ATOM 464 CD1 ILE A 30 33.160 30.136 14.126 1.00 0.00 C ATOM 0 H ILE A 30 36.199 28.803 12.390 1.00 0.00 H new ATOM 0 HA ILE A 30 36.188 31.536 11.690 1.00 0.00 H new ATOM 0 HB ILE A 30 35.793 30.013 14.299 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.767 31.401 12.480 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.201 29.715 12.278 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.745 32.080 15.162 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.465 32.338 14.785 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.211 32.938 13.675 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.178 29.934 13.699 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.525 29.244 14.635 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.083 30.956 14.840 1.00 0.00 H new ATOM 476 N GLN A 31 38.662 30.555 13.633 1.00 0.00 N ATOM 477 CA GLN A 31 39.958 30.966 14.172 1.00 0.00 C ATOM 478 C GLN A 31 40.798 31.663 13.099 1.00 0.00 C ATOM 479 O GLN A 31 41.871 32.194 13.384 1.00 0.00 O ATOM 480 CB GLN A 31 40.708 29.738 14.701 1.00 0.00 C ATOM 481 CG GLN A 31 41.999 30.177 15.399 1.00 0.00 C ATOM 482 CD GLN A 31 42.543 29.040 16.255 1.00 0.00 C ATOM 483 OE1 GLN A 31 41.854 28.045 16.481 1.00 0.00 O ATOM 484 NE2 GLN A 31 43.747 29.128 16.751 1.00 0.00 N ATOM 0 H GLN A 31 38.428 29.575 13.792 1.00 0.00 H new ATOM 0 HA GLN A 31 39.787 31.670 14.986 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.076 29.188 15.398 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.941 29.061 13.879 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.741 30.471 14.657 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.806 31.051 16.021 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.317 29.953 16.563 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.118 28.372 17.326 1.00 0.00 H new ATOM 493 N ASP A 32 40.298 31.666 11.864 1.00 0.00 N ATOM 494 CA ASP A 32 41.006 32.308 10.756 1.00 0.00 C ATOM 495 C ASP A 32 40.606 33.775 10.633 1.00 0.00 C ATOM 496 O ASP A 32 41.420 34.620 10.259 1.00 0.00 O ATOM 497 CB ASP A 32 40.692 31.583 9.447 1.00 0.00 C ATOM 498 CG ASP A 32 41.061 30.109 9.566 1.00 0.00 C ATOM 499 OD1 ASP A 32 41.826 29.780 10.458 1.00 0.00 O1- ATOM 500 OD2 ASP A 32 40.575 29.330 8.762 1.00 0.00 O ATOM 0 H ASP A 32 39.411 31.234 11.606 1.00 0.00 H new ATOM 0 HA ASP A 32 42.076 32.253 10.958 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.633 31.683 9.211 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.246 32.040 8.627 1.00 0.00 H new ATOM 505 N LYS A 33 39.345 34.072 10.945 1.00 0.00 N ATOM 506 CA LYS A 33 38.836 35.445 10.863 1.00 0.00 C ATOM 507 C LYS A 33 38.790 36.087 12.247 1.00 0.00 C ATOM 508 O LYS A 33 38.542 37.286 12.376 1.00 0.00 O ATOM 509 CB LYS A 33 37.426 35.442 10.264 1.00 0.00 C ATOM 510 CG LYS A 33 37.391 34.550 9.018 1.00 0.00 C ATOM 511 CD LYS A 33 38.339 35.107 7.952 1.00 0.00 C ATOM 512 CE LYS A 33 38.018 34.473 6.597 1.00 0.00 C ATOM 513 NZ LYS A 33 39.027 34.910 5.590 1.00 0.00 N1+ ATOM 0 H LYS A 33 38.658 33.385 11.256 1.00 0.00 H new ATOM 0 HA LYS A 33 39.508 36.021 10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.709 35.080 11.001 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.130 36.458 10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 33 37.682 33.533 9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 33 36.376 34.500 8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 33 38.237 36.191 7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 33 39.373 34.899 8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.021 33.386 6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.018 34.764 6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 38.808 34.479 4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.003 35.946 5.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.975 34.611 5.896 1.00 0.00 H new ATOM 527 N THR A 34 39.029 35.281 13.281 1.00 0.00 N ATOM 528 CA THR A 34 39.012 35.770 14.663 1.00 0.00 C ATOM 529 C THR A 34 40.400 35.662 15.285 1.00 0.00 C ATOM 530 O THR A 34 40.891 36.608 15.902 1.00 0.00 O ATOM 531 CB THR A 34 38.025 34.945 15.491 1.00 0.00 C ATOM 532 OG1 THR A 34 38.250 33.562 15.251 1.00 0.00 O ATOM 533 CG2 THR A 34 36.591 35.307 15.096 1.00 0.00 C ATOM 0 H THR A 34 39.237 34.287 13.190 1.00 0.00 H new ATOM 0 HA THR A 34 38.705 36.816 14.656 1.00 0.00 H new ATOM 0 HB THR A 34 38.171 35.161 16.549 1.00 0.00 H new ATOM 0 HG1 THR A 34 37.969 33.338 14.339 1.00 0.00 H new ATOM 0 HG21 THR A 34 35.891 34.717 15.688 1.00 0.00 H new ATOM 0 HG22 THR A 34 36.419 36.367 15.281 1.00 0.00 H new ATOM 0 HG23 THR A 34 36.440 35.094 14.038 1.00 0.00 H new ATOM 541 N GLY A 35 41.025 34.501 15.121 1.00 0.00 N ATOM 542 CA GLY A 35 42.358 34.272 15.670 1.00 0.00 C ATOM 543 C GLY A 35 42.283 33.853 17.136 1.00 0.00 C ATOM 544 O GLY A 35 43.284 33.450 17.725 1.00 0.00 O ATOM 0 H GLY A 35 40.633 33.707 14.615 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.865 33.499 15.093 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.954 35.180 15.578 1.00 0.00 H new ATOM 548 N LEU A 36 41.090 33.948 17.720 1.00 0.00 N ATOM 549 CA LEU A 36 40.909 33.572 19.120 1.00 0.00 C ATOM 550 C LEU A 36 41.160 32.070 19.297 1.00 0.00 C ATOM 551 O LEU A 36 40.876 31.285 18.391 1.00 0.00 O ATOM 552 CB LEU A 36 39.483 33.904 19.573 1.00 0.00 C ATOM 553 CG LEU A 36 39.190 35.397 19.356 1.00 0.00 C ATOM 554 CD1 LEU A 36 37.676 35.630 19.388 1.00 0.00 C ATOM 555 CD2 LEU A 36 39.846 36.235 20.461 1.00 0.00 C ATOM 0 H LEU A 36 40.245 34.277 17.253 1.00 0.00 H new ATOM 0 HA LEU A 36 41.621 34.132 19.726 1.00 0.00 H new ATOM 0 HB2 LEU A 36 38.767 33.301 19.015 1.00 0.00 H new ATOM 0 HB3 LEU A 36 39.360 33.651 20.626 1.00 0.00 H new ATOM 0 HG LEU A 36 39.595 35.696 18.389 1.00 0.00 H new ATOM 0 HD11 LEU A 36 37.467 36.689 19.234 1.00 0.00 H new ATOM 0 HD12 LEU A 36 37.202 35.048 18.598 1.00 0.00 H new ATOM 0 HD13 LEU A 36 37.280 35.319 20.355 1.00 0.00 H new ATOM 0 HD21 LEU A 36 39.630 37.290 20.294 1.00 0.00 H new ATOM 0 HD22 LEU A 36 39.450 35.932 21.431 1.00 0.00 H new ATOM 0 HD23 LEU A 36 40.925 36.079 20.445 1.00 0.00 H new ATOM 567 N PRO A 37 41.679 31.646 20.430 1.00 0.00 N ATOM 568 CA PRO A 37 41.956 30.200 20.689 1.00 0.00 C ATOM 569 C PRO A 37 40.666 29.405 20.963 1.00 0.00 C ATOM 570 O PRO A 37 39.659 29.984 21.369 1.00 0.00 O ATOM 571 CB PRO A 37 42.857 30.234 21.929 1.00 0.00 C ATOM 572 CG PRO A 37 42.432 31.464 22.663 1.00 0.00 C ATOM 573 CD PRO A 37 42.064 32.484 21.583 1.00 0.00 C ATOM 0 HA PRO A 37 42.414 29.703 19.834 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.726 29.341 22.540 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.911 30.280 21.654 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.582 31.258 23.313 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.235 31.838 23.298 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.244 33.128 21.902 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.905 33.134 21.343 1.00 0.00 H new ATOM 581 N PRO A 38 40.674 28.103 20.761 1.00 0.00 N ATOM 582 CA PRO A 38 39.470 27.247 21.010 1.00 0.00 C ATOM 583 C PRO A 38 38.827 27.489 22.383 1.00 0.00 C ATOM 584 O PRO A 38 37.605 27.428 22.520 1.00 0.00 O ATOM 585 CB PRO A 38 40.015 25.811 20.923 1.00 0.00 C ATOM 586 CG PRO A 38 41.226 25.900 20.052 1.00 0.00 C ATOM 587 CD PRO A 38 41.816 27.300 20.266 1.00 0.00 C ATOM 0 HA PRO A 38 38.680 27.466 20.292 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.269 25.426 21.911 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.274 25.134 20.498 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.951 25.129 20.315 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.963 25.746 19.005 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.633 27.282 20.988 1.00 0.00 H new ATOM 0 HD3 PRO A 38 42.218 27.709 19.339 1.00 0.00 H new ATOM 595 N ASP A 39 39.652 27.733 23.397 1.00 0.00 N ATOM 596 CA ASP A 39 39.140 27.945 24.751 1.00 0.00 C ATOM 597 C ASP A 39 38.288 29.209 24.842 1.00 0.00 C ATOM 598 O ASP A 39 37.656 29.463 25.869 1.00 0.00 O ATOM 599 CB ASP A 39 40.298 28.028 25.749 1.00 0.00 C ATOM 600 CG ASP A 39 41.344 29.025 25.267 1.00 0.00 C ATOM 601 OD1 ASP A 39 41.130 30.212 25.448 1.00 0.00 O1- ATOM 602 OD2 ASP A 39 42.347 28.587 24.728 1.00 0.00 O ATOM 0 H ASP A 39 40.667 27.789 23.311 1.00 0.00 H new ATOM 0 HA ASP A 39 38.506 27.093 24.998 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.923 28.329 26.727 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.752 27.045 25.871 1.00 0.00 H new ATOM 607 N GLN A 40 38.263 29.997 23.767 1.00 0.00 N ATOM 608 CA GLN A 40 37.471 31.234 23.736 1.00 0.00 C ATOM 609 C GLN A 40 36.319 31.098 22.741 1.00 0.00 C ATOM 610 O GLN A 40 35.150 31.155 23.124 1.00 0.00 O ATOM 611 CB GLN A 40 38.367 32.417 23.342 1.00 0.00 C ATOM 612 CG GLN A 40 39.189 32.864 24.556 1.00 0.00 C ATOM 613 CD GLN A 40 40.215 33.914 24.146 1.00 0.00 C ATOM 614 OE1 GLN A 40 39.856 34.956 23.601 1.00 0.00 O ATOM 615 NE2 GLN A 40 41.483 33.698 24.377 1.00 0.00 N ATOM 0 H GLN A 40 38.778 29.805 22.908 1.00 0.00 H new ATOM 0 HA GLN A 40 37.058 31.414 24.729 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.031 32.128 22.527 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.757 33.244 22.979 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.528 33.272 25.321 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.695 32.005 24.997 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.779 32.833 24.829 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.177 34.394 24.105 1.00 0.00 H new ATOM 624 N GLN A 41 36.667 30.932 21.465 1.00 0.00 N ATOM 625 CA GLN A 41 35.674 30.799 20.394 1.00 0.00 C ATOM 626 C GLN A 41 34.388 30.132 20.877 1.00 0.00 C ATOM 627 O GLN A 41 34.286 28.906 20.916 1.00 0.00 O ATOM 628 CB GLN A 41 36.260 29.977 19.247 1.00 0.00 C ATOM 629 CG GLN A 41 37.336 30.796 18.542 1.00 0.00 C ATOM 630 CD GLN A 41 38.005 29.957 17.459 1.00 0.00 C ATOM 631 OE1 GLN A 41 38.597 28.918 17.754 1.00 0.00 O ATOM 632 NE2 GLN A 41 37.950 30.349 16.217 1.00 0.00 N ATOM 0 H GLN A 41 37.634 30.886 21.145 1.00 0.00 H new ATOM 0 HA GLN A 41 35.425 31.805 20.057 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.685 29.049 19.629 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.475 29.702 18.542 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.894 31.689 18.100 1.00 0.00 H new ATOM 0 HG3 GLN A 41 38.080 31.133 19.264 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.459 31.210 15.975 1.00 0.00 H new ATOM 0 HE22 GLN A 41 38.398 29.795 15.487 1.00 0.00 H new ATOM 641 N ARG A 42 33.406 30.957 21.234 1.00 0.00 N ATOM 642 CA ARG A 42 32.109 30.458 21.706 1.00 0.00 C ATOM 643 C ARG A 42 31.054 30.616 20.614 1.00 0.00 C ATOM 644 O ARG A 42 30.995 31.646 19.942 1.00 0.00 O ATOM 645 CB ARG A 42 31.668 31.227 22.955 1.00 0.00 C ATOM 646 CG ARG A 42 30.293 30.723 23.403 1.00 0.00 C ATOM 647 CD ARG A 42 29.960 31.290 24.783 1.00 0.00 C ATOM 648 NE ARG A 42 28.702 30.724 25.265 1.00 0.00 N ATOM 649 CZ ARG A 42 28.421 30.673 26.564 1.00 0.00 C ATOM 650 NH1 ARG A 42 29.276 31.132 27.436 1.00 0.00 N ATOM 651 NH2 ARG A 42 27.288 30.162 26.966 1.00 0.00 N1+ ATOM 0 H ARG A 42 33.480 31.974 21.207 1.00 0.00 H new ATOM 0 HA ARG A 42 32.215 29.402 21.953 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.396 31.091 23.755 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.624 32.295 22.742 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.532 31.024 22.683 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.288 29.634 23.436 1.00 0.00 H new ATOM 0 HD2 ARG A 42 30.763 31.061 25.483 1.00 0.00 H new ATOM 0 HD3 ARG A 42 29.883 32.376 24.730 1.00 0.00 H new ATOM 0 HE ARG A 42 28.026 30.361 24.592 1.00 0.00 H new ATOM 0 HH11 ARG A 42 30.161 31.530 27.122 1.00 0.00 H new ATOM 0 HH12 ARG A 42 29.060 31.092 28.432 1.00 0.00 H new ATOM 0 HH21 ARG A 42 26.620 29.803 26.284 1.00 0.00 H new ATOM 0 HH22 ARG A 42 27.071 30.122 27.962 1.00 0.00 H new ATOM 665 N LEU A 43 30.221 29.587 20.441 1.00 0.00 N ATOM 666 CA LEU A 43 29.164 29.614 19.422 1.00 0.00 C ATOM 667 C LEU A 43 27.806 29.301 20.039 1.00 0.00 C ATOM 668 O LEU A 43 27.666 28.364 20.824 1.00 0.00 O ATOM 669 CB LEU A 43 29.462 28.586 18.326 1.00 0.00 C ATOM 670 CG LEU A 43 30.769 28.937 17.604 1.00 0.00 C ATOM 671 CD1 LEU A 43 31.081 27.844 16.575 1.00 0.00 C ATOM 672 CD2 LEU A 43 30.636 30.299 16.891 1.00 0.00 C ATOM 0 H LEU A 43 30.256 28.728 20.989 1.00 0.00 H new ATOM 0 HA LEU A 43 29.138 30.616 18.993 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.537 27.590 18.763 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.640 28.559 17.611 1.00 0.00 H new ATOM 0 HG LEU A 43 31.577 29.002 18.333 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.009 28.086 16.057 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.188 26.886 17.083 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.268 27.782 15.852 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.570 30.536 16.383 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.828 30.250 16.161 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.415 31.074 17.625 1.00 0.00 H new ATOM 684 N ILE A 44 26.801 30.091 19.658 1.00 0.00 N ATOM 685 CA ILE A 44 25.435 29.905 20.150 1.00 0.00 C ATOM 686 C ILE A 44 24.447 30.096 19.002 1.00 0.00 C ATOM 687 O ILE A 44 24.489 31.103 18.296 1.00 0.00 O ATOM 688 CB ILE A 44 25.123 30.911 21.268 1.00 0.00 C ATOM 689 CG1 ILE A 44 25.961 30.587 22.509 1.00 0.00 C ATOM 690 CG2 ILE A 44 23.636 30.841 21.631 1.00 0.00 C ATOM 691 CD1 ILE A 44 25.900 31.763 23.486 1.00 0.00 C ATOM 0 H ILE A 44 26.908 30.869 19.007 1.00 0.00 H new ATOM 0 HA ILE A 44 25.343 28.896 20.551 1.00 0.00 H new ATOM 0 HB ILE A 44 25.365 31.914 20.917 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.586 29.682 22.988 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.994 30.391 22.222 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.421 31.557 22.424 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.036 31.081 20.753 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.392 29.835 21.974 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.496 31.533 24.369 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.295 32.657 23.004 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.865 31.937 23.782 1.00 0.00 H new ATOM 703 N PHE A 45 23.556 29.123 18.825 1.00 0.00 N ATOM 704 CA PHE A 45 22.549 29.180 17.762 1.00 0.00 C ATOM 705 C PHE A 45 21.153 29.081 18.367 1.00 0.00 C ATOM 706 O PHE A 45 20.915 28.272 19.263 1.00 0.00 O ATOM 707 CB PHE A 45 22.759 28.024 16.784 1.00 0.00 C ATOM 708 CG PHE A 45 21.755 28.130 15.659 1.00 0.00 C ATOM 709 CD1 PHE A 45 21.818 29.209 14.769 1.00 0.00 C ATOM 710 CD2 PHE A 45 20.764 27.154 15.501 1.00 0.00 C ATOM 711 CE1 PHE A 45 20.895 29.312 13.724 1.00 0.00 C ATOM 712 CE2 PHE A 45 19.840 27.255 14.453 1.00 0.00 C ATOM 713 CZ PHE A 45 19.906 28.335 13.565 1.00 0.00 C ATOM 0 H PHE A 45 23.509 28.284 19.403 1.00 0.00 H new ATOM 0 HA PHE A 45 22.649 30.127 17.231 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.773 28.050 16.385 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.644 27.071 17.300 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.581 29.963 14.890 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.712 26.322 16.188 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.945 30.146 13.039 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.077 26.500 14.330 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.194 28.414 12.757 1.00 0.00 H new ATOM 723 N ALA A 46 20.235 29.905 17.878 1.00 0.00 N ATOM 724 CA ALA A 46 18.870 29.891 18.390 1.00 0.00 C ATOM 725 C ALA A 46 18.875 29.966 19.915 1.00 0.00 C ATOM 726 O ALA A 46 17.883 29.634 20.565 1.00 0.00 O ATOM 727 CB ALA A 46 18.159 28.611 17.942 1.00 0.00 C ATOM 0 H ALA A 46 20.407 30.584 17.136 1.00 0.00 H new ATOM 0 HA ALA A 46 18.340 30.757 17.994 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.140 28.607 18.328 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.135 28.570 16.853 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.696 27.743 18.326 1.00 0.00 H new ATOM 733 N GLY A 47 20.001 30.402 20.479 1.00 0.00 N ATOM 734 CA GLY A 47 20.138 30.519 21.932 1.00 0.00 C ATOM 735 C GLY A 47 20.882 29.316 22.505 1.00 0.00 C ATOM 736 O GLY A 47 21.599 29.433 23.499 1.00 0.00 O ATOM 0 H GLY A 47 20.830 30.680 19.954 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.675 31.435 22.179 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.152 30.594 22.390 1.00 0.00 H new ATOM 740 N LYS A 48 20.705 28.164 21.871 1.00 0.00 N ATOM 741 CA LYS A 48 21.361 26.943 22.324 1.00 0.00 C ATOM 742 C LYS A 48 22.869 27.032 22.110 1.00 0.00 C ATOM 743 O LYS A 48 23.332 27.536 21.087 1.00 0.00 O ATOM 744 CB LYS A 48 20.794 25.740 21.568 1.00 0.00 C ATOM 745 CG LYS A 48 19.299 25.612 21.874 1.00 0.00 C ATOM 746 CD LYS A 48 18.718 24.418 21.114 1.00 0.00 C ATOM 747 CE LYS A 48 17.212 24.337 21.369 1.00 0.00 C ATOM 748 NZ LYS A 48 16.963 24.132 22.824 1.00 0.00 N1+ ATOM 0 H LYS A 48 20.116 28.049 21.046 1.00 0.00 H new ATOM 0 HA LYS A 48 21.172 26.820 23.390 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.949 25.863 20.496 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.317 24.830 21.863 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.147 25.482 22.946 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.779 26.526 21.587 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.912 24.523 20.047 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.203 23.497 21.437 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.726 25.252 21.032 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.779 23.517 20.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.001 23.761 22.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.654 23.453 23.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.060 25.039 23.324 1.00 0.00 H new ATOM 762 N GLN A 49 23.632 26.543 23.087 1.00 0.00 N ATOM 763 CA GLN A 49 25.093 26.576 23.007 1.00 0.00 C ATOM 764 C GLN A 49 25.629 25.311 22.349 1.00 0.00 C ATOM 765 O GLN A 49 25.178 24.204 22.643 1.00 0.00 O ATOM 766 CB GLN A 49 25.690 26.709 24.410 1.00 0.00 C ATOM 767 CG GLN A 49 27.208 26.892 24.309 1.00 0.00 C ATOM 768 CD GLN A 49 27.812 27.009 25.706 1.00 0.00 C ATOM 769 OE1 GLN A 49 27.118 27.377 26.653 1.00 0.00 O ATOM 770 NE2 GLN A 49 29.069 26.712 25.889 1.00 0.00 N ATOM 0 H GLN A 49 23.265 26.121 23.940 1.00 0.00 H new ATOM 0 HA GLN A 49 25.381 27.436 22.402 1.00 0.00 H new ATOM 0 HB2 GLN A 49 25.245 27.560 24.926 1.00 0.00 H new ATOM 0 HB3 GLN A 49 25.459 25.822 25.000 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.651 26.047 23.782 1.00 0.00 H new ATOM 0 HG3 GLN A 49 27.437 27.785 23.728 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.641 26.407 25.101 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.480 26.784 26.820 1.00 0.00 H new ATOM 779 N LEU A 50 26.601 25.487 21.458 1.00 0.00 N ATOM 780 CA LEU A 50 27.209 24.359 20.756 1.00 0.00 C ATOM 781 C LEU A 50 28.374 23.800 21.554 1.00 0.00 C ATOM 782 O LEU A 50 29.064 24.530 22.266 1.00 0.00 O ATOM 783 CB LEU A 50 27.691 24.809 19.376 1.00 0.00 C ATOM 784 CG LEU A 50 26.598 25.646 18.704 1.00 0.00 C ATOM 785 CD1 LEU A 50 27.014 25.979 17.268 1.00 0.00 C ATOM 786 CD2 LEU A 50 25.284 24.854 18.689 1.00 0.00 C ATOM 0 H LEU A 50 26.984 26.398 21.205 1.00 0.00 H new ATOM 0 HA LEU A 50 26.461 23.575 20.640 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.606 25.394 19.471 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.930 23.941 18.761 1.00 0.00 H new ATOM 0 HG LEU A 50 26.457 26.572 19.261 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.235 26.574 16.792 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.946 26.544 17.281 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.158 25.055 16.707 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.506 25.449 18.211 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.424 23.927 18.134 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.987 24.623 19.712 1.00 0.00 H new ATOM 798 N GLU A 51 28.579 22.492 21.438 1.00 0.00 N ATOM 799 CA GLU A 51 29.654 21.825 22.159 1.00 0.00 C ATOM 800 C GLU A 51 30.219 20.676 21.329 1.00 0.00 C ATOM 801 O GLU A 51 29.502 20.052 20.546 1.00 0.00 O ATOM 802 CB GLU A 51 29.116 21.287 23.486 1.00 0.00 C ATOM 803 CG GLU A 51 30.284 20.910 24.388 1.00 0.00 C ATOM 804 CD GLU A 51 29.770 20.302 25.689 1.00 0.00 C ATOM 805 OE1 GLU A 51 28.596 19.973 25.743 1.00 0.00 O ATOM 806 OE2 GLU A 51 30.558 20.174 26.612 1.00 0.00 O1- ATOM 0 H GLU A 51 28.016 21.875 20.853 1.00 0.00 H new ATOM 0 HA GLU A 51 30.452 22.542 22.349 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.495 22.040 23.972 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.483 20.417 23.309 1.00 0.00 H new ATOM 0 HG2 GLU A 51 30.933 20.199 23.877 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.886 21.793 24.604 1.00 0.00 H new ATOM 813 N ASP A 52 31.507 20.402 21.506 1.00 0.00 N ATOM 814 CA ASP A 52 32.158 19.327 20.766 1.00 0.00 C ATOM 815 C ASP A 52 31.396 18.017 20.935 1.00 0.00 C ATOM 816 O ASP A 52 30.691 17.821 21.924 1.00 0.00 O ATOM 817 CB ASP A 52 33.594 19.146 21.262 1.00 0.00 C ATOM 818 CG ASP A 52 34.271 18.015 20.494 1.00 0.00 C ATOM 819 OD1 ASP A 52 34.343 18.111 19.281 1.00 0.00 O1- ATOM 820 OD2 ASP A 52 34.706 17.071 21.132 1.00 0.00 O ATOM 0 H ASP A 52 32.117 20.905 22.150 1.00 0.00 H new ATOM 0 HA ASP A 52 32.166 19.596 19.710 1.00 0.00 H new ATOM 0 HB2 ASP A 52 34.153 20.072 21.130 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.594 18.923 22.329 1.00 0.00 H new ATOM 825 N GLY A 53 31.547 17.123 19.963 1.00 0.00 N ATOM 826 CA GLY A 53 30.872 15.829 20.013 1.00 0.00 C ATOM 827 C GLY A 53 29.433 15.935 19.519 1.00 0.00 C ATOM 828 O GLY A 53 28.608 15.065 19.798 1.00 0.00 O ATOM 0 H GLY A 53 32.126 17.268 19.136 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.416 15.109 19.402 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.881 15.451 21.035 1.00 0.00 H new ATOM 832 N ARG A 54 29.132 17.005 18.783 1.00 0.00 N ATOM 833 CA ARG A 54 27.784 17.219 18.252 1.00 0.00 C ATOM 834 C ARG A 54 27.848 17.716 16.810 1.00 0.00 C ATOM 835 O ARG A 54 28.739 18.480 16.443 1.00 0.00 O ATOM 836 CB ARG A 54 27.047 18.249 19.117 1.00 0.00 C ATOM 837 CG ARG A 54 26.587 17.609 20.441 1.00 0.00 C ATOM 838 CD ARG A 54 25.241 16.894 20.253 1.00 0.00 C ATOM 839 NE ARG A 54 24.737 16.423 21.541 1.00 0.00 N ATOM 840 CZ ARG A 54 25.070 15.228 22.025 1.00 0.00 C ATOM 841 NH1 ARG A 54 25.867 14.446 21.347 1.00 0.00 N ATOM 842 NH2 ARG A 54 24.600 14.840 23.178 1.00 0.00 N1+ ATOM 0 H ARG A 54 29.801 17.736 18.541 1.00 0.00 H new ATOM 0 HA ARG A 54 27.247 16.271 18.272 1.00 0.00 H new ATOM 0 HB2 ARG A 54 27.702 19.095 19.323 1.00 0.00 H new ATOM 0 HB3 ARG A 54 26.185 18.638 18.575 1.00 0.00 H new ATOM 0 HG2 ARG A 54 27.337 16.899 20.789 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.494 18.376 21.210 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.520 17.573 19.798 1.00 0.00 H new ATOM 0 HD3 ARG A 54 25.360 16.052 19.571 1.00 0.00 H new ATOM 0 HE ARG A 54 24.115 17.024 22.082 1.00 0.00 H new ATOM 0 HH11 ARG A 54 26.235 14.751 20.446 1.00 0.00 H new ATOM 0 HH12 ARG A 54 26.121 13.531 21.719 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.978 15.452 23.707 1.00 0.00 H new ATOM 0 HH22 ARG A 54 24.854 13.925 23.550 1.00 0.00 H new ATOM 856 N THR A 55 26.886 17.276 15.999 1.00 0.00 N ATOM 857 CA THR A 55 26.820 17.678 14.593 1.00 0.00 C ATOM 858 C THR A 55 25.760 18.760 14.404 1.00 0.00 C ATOM 859 O THR A 55 24.981 19.041 15.312 1.00 0.00 O ATOM 860 CB THR A 55 26.473 16.464 13.724 1.00 0.00 C ATOM 861 OG1 THR A 55 25.371 15.773 14.296 1.00 0.00 O ATOM 862 CG2 THR A 55 27.681 15.528 13.649 1.00 0.00 C ATOM 0 H THR A 55 26.142 16.642 16.291 1.00 0.00 H new ATOM 0 HA THR A 55 27.790 18.074 14.294 1.00 0.00 H new ATOM 0 HB THR A 55 26.211 16.798 12.720 1.00 0.00 H new ATOM 0 HG1 THR A 55 24.598 15.838 13.697 1.00 0.00 H new ATOM 0 HG21 THR A 55 27.434 14.665 13.031 1.00 0.00 H new ATOM 0 HG22 THR A 55 28.526 16.059 13.210 1.00 0.00 H new ATOM 0 HG23 THR A 55 27.944 15.193 14.652 1.00 0.00 H new ATOM 870 N LEU A 56 25.739 19.366 13.224 1.00 0.00 N ATOM 871 CA LEU A 56 24.768 20.415 12.931 1.00 0.00 C ATOM 872 C LEU A 56 23.350 19.857 12.952 1.00 0.00 C ATOM 873 O LEU A 56 22.408 20.533 13.368 1.00 0.00 O ATOM 874 CB LEU A 56 25.051 21.012 11.554 1.00 0.00 C ATOM 875 CG LEU A 56 26.522 21.428 11.456 1.00 0.00 C ATOM 876 CD1 LEU A 56 26.804 21.958 10.047 1.00 0.00 C ATOM 877 CD2 LEU A 56 26.826 22.528 12.485 1.00 0.00 C ATOM 0 H LEU A 56 26.378 19.152 12.458 1.00 0.00 H new ATOM 0 HA LEU A 56 24.857 21.187 13.695 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.818 20.283 10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.408 21.876 11.384 1.00 0.00 H new ATOM 0 HG LEU A 56 27.154 20.564 11.660 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.850 22.255 9.973 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.596 21.177 9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.167 22.820 9.848 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.874 22.818 12.409 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.194 23.394 12.289 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.626 22.153 13.489 1.00 0.00 H new ATOM 889 N SER A 57 23.211 18.622 12.491 1.00 0.00 N ATOM 890 CA SER A 57 21.906 17.967 12.444 1.00 0.00 C ATOM 891 C SER A 57 21.302 17.833 13.840 1.00 0.00 C ATOM 892 O SER A 57 20.098 17.613 13.982 1.00 0.00 O ATOM 893 CB SER A 57 22.041 16.581 11.813 1.00 0.00 C ATOM 894 OG SER A 57 22.675 15.704 12.734 1.00 0.00 O ATOM 0 H SER A 57 23.983 18.052 12.144 1.00 0.00 H new ATOM 0 HA SER A 57 21.242 18.585 11.840 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.058 16.195 11.543 1.00 0.00 H new ATOM 0 HB3 SER A 57 22.623 16.643 10.893 1.00 0.00 H new ATOM 0 HG SER A 57 22.761 14.814 12.332 1.00 0.00 H new ATOM 900 N ASP A 58 22.134 17.973 14.870 1.00 0.00 N ATOM 901 CA ASP A 58 21.655 17.870 16.249 1.00 0.00 C ATOM 902 C ASP A 58 21.135 19.220 16.732 1.00 0.00 C ATOM 903 O ASP A 58 20.124 19.294 17.431 1.00 0.00 O ATOM 904 CB ASP A 58 22.789 17.400 17.167 1.00 0.00 C ATOM 905 CG ASP A 58 23.039 15.907 16.975 1.00 0.00 C ATOM 906 OD1 ASP A 58 22.268 15.281 16.267 1.00 0.00 O ATOM 907 OD2 ASP A 58 23.999 15.411 17.541 1.00 0.00 O1- ATOM 0 H ASP A 58 23.133 18.156 14.779 1.00 0.00 H new ATOM 0 HA ASP A 58 20.843 17.144 16.279 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.699 17.959 16.949 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.532 17.602 18.207 1.00 0.00 H new ATOM 912 N TYR A 59 21.837 20.281 16.354 1.00 0.00 N ATOM 913 CA TYR A 59 21.447 21.630 16.749 1.00 0.00 C ATOM 914 C TYR A 59 20.360 22.166 15.825 1.00 0.00 C ATOM 915 O TYR A 59 19.874 23.283 16.002 1.00 0.00 O ATOM 916 CB TYR A 59 22.664 22.549 16.686 1.00 0.00 C ATOM 917 CG TYR A 59 23.709 22.080 17.672 1.00 0.00 C ATOM 918 CD1 TYR A 59 23.451 22.145 19.047 1.00 0.00 C ATOM 919 CD2 TYR A 59 24.943 21.593 17.214 1.00 0.00 C ATOM 920 CE1 TYR A 59 24.421 21.724 19.962 1.00 0.00 C ATOM 921 CE2 TYR A 59 25.914 21.175 18.132 1.00 0.00 C ATOM 922 CZ TYR A 59 25.652 21.241 19.506 1.00 0.00 C ATOM 923 OH TYR A 59 26.609 20.832 20.412 1.00 0.00 O ATOM 0 H TYR A 59 22.676 20.235 15.776 1.00 0.00 H new ATOM 0 HA TYR A 59 21.058 21.598 17.767 1.00 0.00 H new ATOM 0 HB2 TYR A 59 23.077 22.552 15.677 1.00 0.00 H new ATOM 0 HB3 TYR A 59 22.370 23.574 16.913 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.502 22.521 19.401 1.00 0.00 H new ATOM 0 HD2 TYR A 59 25.143 21.541 16.154 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.219 21.772 21.022 1.00 0.00 H new ATOM 0 HE2 TYR A 59 26.865 20.802 17.781 1.00 0.00 H new ATOM 0 HH TYR A 59 26.197 20.718 21.294 1.00 0.00 H new ATOM 933 N ASN A 60 19.992 21.362 14.833 1.00 0.00 N ATOM 934 CA ASN A 60 18.967 21.761 13.874 1.00 0.00 C ATOM 935 C ASN A 60 19.433 22.981 13.082 1.00 0.00 C ATOM 936 O ASN A 60 18.619 23.756 12.580 1.00 0.00 O ATOM 937 CB ASN A 60 17.662 22.089 14.605 1.00 0.00 C ATOM 938 CG ASN A 60 17.394 21.048 15.685 1.00 0.00 C ATOM 939 OD1 ASN A 60 17.753 19.880 15.529 1.00 0.00 O ATOM 940 ND2 ASN A 60 16.781 21.403 16.782 1.00 0.00 N ATOM 0 H ASN A 60 20.386 20.435 14.672 1.00 0.00 H new ATOM 0 HA ASN A 60 18.793 20.934 13.185 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.725 23.081 15.052 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.834 22.111 13.896 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.599 20.713 17.511 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.484 22.370 16.910 1.00 0.00 H new ATOM 947 N ILE A 61 20.748 23.140 12.978 1.00 0.00 N ATOM 948 CA ILE A 61 21.323 24.263 12.247 1.00 0.00 C ATOM 949 C ILE A 61 21.192 24.038 10.740 1.00 0.00 C ATOM 950 O ILE A 61 21.615 23.007 10.218 1.00 0.00 O ATOM 951 CB ILE A 61 22.800 24.428 12.643 1.00 0.00 C ATOM 952 CG1 ILE A 61 22.878 25.018 14.052 1.00 0.00 C ATOM 953 CG2 ILE A 61 23.513 25.369 11.668 1.00 0.00 C ATOM 954 CD1 ILE A 61 24.313 24.931 14.574 1.00 0.00 C ATOM 0 H ILE A 61 21.434 22.507 13.389 1.00 0.00 H new ATOM 0 HA ILE A 61 20.782 25.175 12.502 1.00 0.00 H new ATOM 0 HB ILE A 61 23.285 23.452 12.614 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.549 26.057 14.039 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.206 24.479 14.719 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.557 25.475 11.962 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.460 24.957 10.660 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.030 26.346 11.686 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.361 25.353 15.578 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.627 23.888 14.604 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.975 25.490 13.913 1.00 0.00 H new ATOM 966 N GLN A 62 20.603 25.016 10.050 1.00 0.00 N ATOM 967 CA GLN A 62 20.411 24.934 8.600 1.00 0.00 C ATOM 968 C GLN A 62 21.314 25.933 7.887 1.00 0.00 C ATOM 969 O GLN A 62 22.344 26.346 8.420 1.00 0.00 O ATOM 970 CB GLN A 62 18.955 25.246 8.248 1.00 0.00 C ATOM 971 CG GLN A 62 18.021 24.357 9.070 1.00 0.00 C ATOM 972 CD GLN A 62 16.572 24.628 8.679 1.00 0.00 C ATOM 973 OE1 GLN A 62 16.305 25.499 7.852 1.00 0.00 O ATOM 974 NE2 GLN A 62 15.616 23.929 9.225 1.00 0.00 N ATOM 0 H GLN A 62 20.250 25.875 10.472 1.00 0.00 H new ATOM 0 HA GLN A 62 20.663 23.924 8.278 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.740 26.296 8.446 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.785 25.082 7.184 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.262 23.307 8.902 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.163 24.550 10.133 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.839 23.207 9.910 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.645 24.104 8.967 1.00 0.00 H new ATOM 983 N LYS A 63 20.913 26.324 6.681 1.00 0.00 N ATOM 984 CA LYS A 63 21.685 27.284 5.902 1.00 0.00 C ATOM 985 C LYS A 63 21.421 28.701 6.405 1.00 0.00 C ATOM 986 O LYS A 63 20.435 28.949 7.099 1.00 0.00 O ATOM 987 CB LYS A 63 21.306 27.178 4.418 1.00 0.00 C ATOM 988 CG LYS A 63 22.421 27.772 3.550 1.00 0.00 C ATOM 989 CD LYS A 63 22.069 27.586 2.072 1.00 0.00 C ATOM 990 CE LYS A 63 23.154 28.223 1.199 1.00 0.00 C ATOM 991 NZ LYS A 63 24.347 27.332 1.161 1.00 0.00 N1+ ATOM 0 H LYS A 63 20.063 25.993 6.225 1.00 0.00 H new ATOM 0 HA LYS A 63 22.746 27.060 6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.141 26.134 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.370 27.706 4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.547 28.831 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.370 27.284 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.979 26.525 1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.102 28.042 1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.775 28.385 0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.429 29.200 1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 25.202 27.888 1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 24.244 26.583 1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 24.429 26.902 0.218 1.00 0.00 H new ATOM 1005 N GLU A 64 22.306 29.623 6.051 1.00 0.00 N ATOM 1006 CA GLU A 64 22.158 31.011 6.473 1.00 0.00 C ATOM 1007 C GLU A 64 21.854 31.093 7.967 1.00 0.00 C ATOM 1008 O GLU A 64 21.357 32.109 8.450 1.00 0.00 O ATOM 1009 CB GLU A 64 21.028 31.686 5.685 1.00 0.00 C ATOM 1010 CG GLU A 64 21.070 31.232 4.225 1.00 0.00 C ATOM 1011 CD GLU A 64 20.195 32.144 3.370 1.00 0.00 C ATOM 1012 OE1 GLU A 64 20.060 33.305 3.720 1.00 0.00 O1- ATOM 1013 OE2 GLU A 64 19.673 31.668 2.375 1.00 0.00 O ATOM 0 H GLU A 64 23.129 29.438 5.477 1.00 0.00 H new ATOM 0 HA GLU A 64 23.098 31.527 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.064 31.433 6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.130 32.770 5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.096 31.251 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.723 30.202 4.146 1.00 0.00 H new ATOM 1020 N SER A 65 22.156 30.022 8.698 1.00 0.00 N ATOM 1021 CA SER A 65 21.903 30.010 10.135 1.00 0.00 C ATOM 1022 C SER A 65 22.753 31.080 10.816 1.00 0.00 C ATOM 1023 O SER A 65 23.974 31.107 10.658 1.00 0.00 O ATOM 1024 CB SER A 65 22.221 28.625 10.711 1.00 0.00 C ATOM 1025 OG SER A 65 21.093 27.777 10.534 1.00 0.00 O ATOM 0 H SER A 65 22.569 29.166 8.327 1.00 0.00 H new ATOM 0 HA SER A 65 20.851 30.228 10.318 1.00 0.00 H new ATOM 0 HB2 SER A 65 23.092 28.201 10.212 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.468 28.706 11.769 1.00 0.00 H new ATOM 0 HG SER A 65 20.552 27.777 11.351 1.00 0.00 H new ATOM 1031 N THR A 66 22.100 31.973 11.555 1.00 0.00 N ATOM 1032 CA THR A 66 22.802 33.057 12.234 1.00 0.00 C ATOM 1033 C THR A 66 23.400 32.588 13.556 1.00 0.00 C ATOM 1034 O THR A 66 22.680 32.236 14.489 1.00 0.00 O ATOM 1035 CB THR A 66 21.821 34.221 12.474 1.00 0.00 C ATOM 1036 OG1 THR A 66 21.707 34.988 11.284 1.00 0.00 O ATOM 1037 CG2 THR A 66 22.309 35.123 13.617 1.00 0.00 C ATOM 0 H THR A 66 21.090 31.967 11.698 1.00 0.00 H new ATOM 0 HA THR A 66 23.625 33.392 11.602 1.00 0.00 H new ATOM 0 HB THR A 66 20.851 33.808 12.751 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.083 35.729 11.431 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.599 35.937 13.767 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.389 34.538 14.533 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.286 35.535 13.364 1.00 0.00 H new ATOM 1045 N LEU A 67 24.725 32.625 13.630 1.00 0.00 N ATOM 1046 CA LEU A 67 25.438 32.233 14.840 1.00 0.00 C ATOM 1047 C LEU A 67 25.692 33.472 15.694 1.00 0.00 C ATOM 1048 O LEU A 67 25.255 34.569 15.346 1.00 0.00 O ATOM 1049 CB LEU A 67 26.774 31.580 14.466 1.00 0.00 C ATOM 1050 CG LEU A 67 26.543 30.205 13.809 1.00 0.00 C ATOM 1051 CD1 LEU A 67 25.876 29.236 14.804 1.00 0.00 C ATOM 1052 CD2 LEU A 67 25.659 30.361 12.557 1.00 0.00 C ATOM 0 H LEU A 67 25.329 32.923 12.864 1.00 0.00 H new ATOM 0 HA LEU A 67 24.838 31.517 15.402 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.322 32.228 13.782 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.390 31.464 15.358 1.00 0.00 H new ATOM 0 HG LEU A 67 27.509 29.794 13.517 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.721 28.270 14.323 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.520 29.108 15.674 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.915 29.643 15.120 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.501 29.385 12.099 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.697 30.788 12.841 1.00 0.00 H new ATOM 0 HD23 LEU A 67 26.152 31.021 11.843 1.00 0.00 H new ATOM 1064 N HIS A 68 26.396 33.301 16.812 1.00 0.00 N ATOM 1065 CA HIS A 68 26.693 34.428 17.702 1.00 0.00 C ATOM 1066 C HIS A 68 28.083 34.287 18.311 1.00 0.00 C ATOM 1067 O HIS A 68 28.368 33.317 19.015 1.00 0.00 O ATOM 1068 CB HIS A 68 25.652 34.496 18.821 1.00 0.00 C ATOM 1069 CG HIS A 68 24.288 34.732 18.231 1.00 0.00 C ATOM 1070 ND1 HIS A 68 23.177 34.000 18.621 1.00 0.00 N ATOM 1071 CD2 HIS A 68 23.839 35.615 17.281 1.00 0.00 C ATOM 1072 CE1 HIS A 68 22.125 34.450 17.913 1.00 0.00 C ATOM 1073 NE2 HIS A 68 22.474 35.435 17.082 1.00 0.00 N ATOM 0 H HIS A 68 26.769 32.404 17.123 1.00 0.00 H new ATOM 0 HA HIS A 68 26.660 35.345 17.114 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.656 33.567 19.392 1.00 0.00 H new ATOM 0 HB3 HIS A 68 25.902 35.298 19.515 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.452 36.340 16.766 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.121 34.062 18.006 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.869 35.946 16.439 1.00 0.00 H new ATOM 1081 N ILE A 69 28.945 35.265 18.038 1.00 0.00 N ATOM 1082 CA ILE A 69 30.309 35.254 18.564 1.00 0.00 C ATOM 1083 C ILE A 69 30.383 36.063 19.855 1.00 0.00 C ATOM 1084 O ILE A 69 30.196 37.280 19.848 1.00 0.00 O ATOM 1085 CB ILE A 69 31.263 35.854 17.530 1.00 0.00 C ATOM 1086 CG1 ILE A 69 31.119 35.095 16.208 1.00 0.00 C ATOM 1087 CG2 ILE A 69 32.704 35.733 18.029 1.00 0.00 C ATOM 1088 CD1 ILE A 69 31.933 35.801 15.122 1.00 0.00 C ATOM 0 H ILE A 69 28.724 36.074 17.457 1.00 0.00 H new ATOM 0 HA ILE A 69 30.598 34.224 18.774 1.00 0.00 H new ATOM 0 HB ILE A 69 31.019 36.906 17.379 1.00 0.00 H new ATOM 0 HG12 ILE A 69 31.465 34.068 16.327 1.00 0.00 H new ATOM 0 HG13 ILE A 69 30.070 35.046 15.917 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.382 36.161 17.291 1.00 0.00 H new ATOM 0 HG22 ILE A 69 32.809 36.270 18.972 1.00 0.00 H new ATOM 0 HG23 ILE A 69 32.950 34.682 18.180 1.00 0.00 H new ATOM 0 HD11 ILE A 69 31.830 35.260 14.181 1.00 0.00 H new ATOM 0 HD12 ILE A 69 31.566 36.820 14.997 1.00 0.00 H new ATOM 0 HD13 ILE A 69 32.983 35.826 15.413 1.00 0.00 H new ATOM 1100 N VAL A 70 30.653 35.378 20.965 1.00 0.00 N ATOM 1101 CA VAL A 70 30.746 36.036 22.269 1.00 0.00 C ATOM 1102 C VAL A 70 32.202 36.339 22.613 1.00 0.00 C ATOM 1103 O VAL A 70 33.065 35.467 22.513 1.00 0.00 O ATOM 1104 CB VAL A 70 30.143 35.132 23.347 1.00 0.00 C ATOM 1105 CG1 VAL A 70 29.863 35.947 24.613 1.00 0.00 C ATOM 1106 CG2 VAL A 70 28.836 34.529 22.829 1.00 0.00 C ATOM 0 H VAL A 70 30.811 34.371 20.989 1.00 0.00 H new ATOM 0 HA VAL A 70 30.193 36.974 22.226 1.00 0.00 H new ATOM 0 HB VAL A 70 30.847 34.334 23.584 1.00 0.00 H new ATOM 0 HG11 VAL A 70 29.434 35.298 25.376 1.00 0.00 H new ATOM 0 HG12 VAL A 70 30.794 36.376 24.983 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.161 36.748 24.382 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.404 33.885 23.595 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.135 35.329 22.591 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.036 33.943 21.932 1.00 0.00 H new ATOM 1116 N TRP A 71 32.467 37.578 23.019 1.00 0.00 N ATOM 1117 CA TRP A 71 33.825 37.984 23.374 1.00 0.00 C ATOM 1118 C TRP A 71 33.800 39.139 24.370 1.00 0.00 C ATOM 1119 O TRP A 71 33.287 40.218 24.072 1.00 0.00 O ATOM 1120 CB TRP A 71 34.586 38.408 22.116 1.00 0.00 C ATOM 1121 CG TRP A 71 35.978 38.816 22.483 1.00 0.00 C ATOM 1122 CD1 TRP A 71 36.872 38.035 23.133 1.00 0.00 C ATOM 1123 CD2 TRP A 71 36.650 40.084 22.230 1.00 0.00 C ATOM 1124 NE1 TRP A 71 38.048 38.744 23.294 1.00 0.00 N ATOM 1125 CE2 TRP A 71 37.961 40.013 22.755 1.00 0.00 C ATOM 1126 CE3 TRP A 71 36.251 41.279 21.602 1.00 0.00 C ATOM 1127 CZ2 TRP A 71 38.847 41.086 22.660 1.00 0.00 C ATOM 1128 CZ3 TRP A 71 37.141 42.362 21.505 1.00 0.00 C ATOM 1129 CH2 TRP A 71 38.436 42.266 22.034 1.00 0.00 C ATOM 0 H TRP A 71 31.766 38.313 23.110 1.00 0.00 H new ATOM 0 HA TRP A 71 34.328 37.135 23.837 1.00 0.00 H new ATOM 0 HB2 TRP A 71 34.614 37.585 21.402 1.00 0.00 H new ATOM 0 HB3 TRP A 71 34.070 39.236 21.629 1.00 0.00 H new ATOM 0 HD1 TRP A 71 36.696 37.024 23.470 1.00 0.00 H new ATOM 0 HE1 TRP A 71 38.879 38.375 23.755 1.00 0.00 H new ATOM 0 HE3 TRP A 71 35.255 41.364 21.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 39.844 41.006 23.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 36.826 43.274 21.020 1.00 0.00 H new ATOM 0 HH2 TRP A 71 39.115 43.103 21.958 1.00 0.00 H new ATOM 1140 N ARG A 72 34.363 38.907 25.552 1.00 0.00 N ATOM 1141 CA ARG A 72 34.407 39.935 26.586 1.00 0.00 C ATOM 1142 C ARG A 72 35.513 39.632 27.592 1.00 0.00 C ATOM 1143 O ARG A 72 35.594 38.526 28.125 1.00 0.00 O ATOM 1144 CB ARG A 72 33.062 40.015 27.311 1.00 0.00 C ATOM 1145 CG ARG A 72 33.044 41.249 28.215 1.00 0.00 C ATOM 1146 CD ARG A 72 31.708 41.325 28.957 1.00 0.00 C ATOM 1147 NE ARG A 72 31.586 40.211 29.894 1.00 0.00 N ATOM 1148 CZ ARG A 72 32.127 40.271 31.107 1.00 0.00 C ATOM 1149 NH1 ARG A 72 32.788 41.334 31.477 1.00 0.00 N ATOM 1150 NH2 ARG A 72 31.998 39.264 31.929 1.00 0.00 N1+ ATOM 0 H ARG A 72 34.793 38.021 25.817 1.00 0.00 H new ATOM 0 HA ARG A 72 34.614 40.893 26.108 1.00 0.00 H new ATOM 0 HB2 ARG A 72 32.249 40.069 26.587 1.00 0.00 H new ATOM 0 HB3 ARG A 72 32.902 39.114 27.904 1.00 0.00 H new ATOM 0 HG2 ARG A 72 33.866 41.200 28.930 1.00 0.00 H new ATOM 0 HG3 ARG A 72 33.192 42.150 27.620 1.00 0.00 H new ATOM 0 HD2 ARG A 72 31.636 42.271 29.494 1.00 0.00 H new ATOM 0 HD3 ARG A 72 30.885 41.300 28.243 1.00 0.00 H new ATOM 0 HE ARG A 72 31.077 39.373 29.613 1.00 0.00 H new ATOM 0 HH11 ARG A 72 32.890 42.120 30.835 1.00 0.00 H new ATOM 0 HH12 ARG A 72 33.202 41.378 32.408 1.00 0.00 H new ATOM 0 HH21 ARG A 72 31.483 38.433 31.640 1.00 0.00 H new ATOM 0 HH22 ARG A 72 32.413 39.309 32.860 1.00 0.00 H new ATOM 1164 N LEU A 73 36.364 40.622 27.843 1.00 0.00 N ATOM 1165 CA LEU A 73 37.466 40.453 28.784 1.00 0.00 C ATOM 1166 C LEU A 73 36.971 40.590 30.222 1.00 0.00 C ATOM 1167 O LEU A 73 36.027 41.330 30.496 1.00 0.00 O ATOM 1168 CB LEU A 73 38.546 41.504 28.515 1.00 0.00 C ATOM 1169 CG LEU A 73 38.848 41.566 27.014 1.00 0.00 C ATOM 1170 CD1 LEU A 73 40.009 42.534 26.773 1.00 0.00 C ATOM 1171 CD2 LEU A 73 39.229 40.171 26.501 1.00 0.00 C ATOM 0 H LEU A 73 36.313 41.544 27.411 1.00 0.00 H new ATOM 0 HA LEU A 73 37.884 39.456 28.649 1.00 0.00 H new ATOM 0 HB2 LEU A 73 38.213 42.480 28.869 1.00 0.00 H new ATOM 0 HB3 LEU A 73 39.452 41.257 29.068 1.00 0.00 H new ATOM 0 HG LEU A 73 37.963 41.913 26.481 1.00 0.00 H new ATOM 0 HD11 LEU A 73 40.228 42.581 25.706 1.00 0.00 H new ATOM 0 HD12 LEU A 73 39.736 43.526 27.132 1.00 0.00 H new ATOM 0 HD13 LEU A 73 40.891 42.184 27.309 1.00 0.00 H new ATOM 0 HD21 LEU A 73 39.442 40.222 25.433 1.00 0.00 H new ATOM 0 HD22 LEU A 73 40.113 39.817 27.031 1.00 0.00 H new ATOM 0 HD23 LEU A 73 38.402 39.482 26.673 1.00 0.00 H new ATOM 1183 N ARG A 74 37.619 39.871 31.136 1.00 0.00 N ATOM 1184 CA ARG A 74 37.243 39.920 32.545 1.00 0.00 C ATOM 1185 C ARG A 74 37.856 41.144 33.218 1.00 0.00 C ATOM 1186 O ARG A 74 38.956 41.571 32.868 1.00 0.00 O ATOM 1187 CB ARG A 74 37.719 38.653 33.259 1.00 0.00 C ATOM 1188 CG ARG A 74 36.889 37.457 32.792 1.00 0.00 C ATOM 1189 CD ARG A 74 37.441 36.176 33.421 1.00 0.00 C ATOM 1190 NE ARG A 74 37.347 36.247 34.875 1.00 0.00 N ATOM 1191 CZ ARG A 74 37.881 35.305 35.646 1.00 0.00 C ATOM 1192 NH1 ARG A 74 38.497 34.290 35.105 1.00 0.00 N ATOM 1193 NH2 ARG A 74 37.790 35.396 36.945 1.00 0.00 N1+ ATOM 0 H ARG A 74 38.402 39.252 30.927 1.00 0.00 H new ATOM 0 HA ARG A 74 36.157 39.986 32.610 1.00 0.00 H new ATOM 0 HB2 ARG A 74 38.774 38.480 33.049 1.00 0.00 H new ATOM 0 HB3 ARG A 74 37.625 38.775 34.338 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.845 37.593 33.074 1.00 0.00 H new ATOM 0 HG3 ARG A 74 36.918 37.383 31.705 1.00 0.00 H new ATOM 0 HD2 ARG A 74 36.884 35.313 33.055 1.00 0.00 H new ATOM 0 HD3 ARG A 74 38.480 36.034 33.123 1.00 0.00 H new ATOM 0 HE ARG A 74 36.863 37.034 35.308 1.00 0.00 H new ATOM 0 HH11 ARG A 74 38.569 34.219 34.090 1.00 0.00 H new ATOM 0 HH12 ARG A 74 38.907 33.567 35.697 1.00 0.00 H new ATOM 0 HH21 ARG A 74 37.309 36.190 37.368 1.00 0.00 H new ATOM 0 HH22 ARG A 74 38.200 34.673 37.537 1.00 0.00 H new ATOM 1207 N GLY A 75 37.140 41.703 34.188 1.00 0.00 N ATOM 1208 CA GLY A 75 37.625 42.877 34.902 1.00 0.00 C ATOM 1209 C GLY A 75 36.707 43.223 36.069 1.00 0.00 C ATOM 1210 O GLY A 75 36.901 42.747 37.187 1.00 0.00 O ATOM 0 H GLY A 75 36.228 41.365 34.496 1.00 0.00 H new ATOM 0 HA2 GLY A 75 38.634 42.692 35.271 1.00 0.00 H new ATOM 0 HA3 GLY A 75 37.685 43.724 34.218 1.00 0.00 H new ATOM 1214 N GLY A 76 35.707 44.057 35.800 1.00 0.00 N ATOM 1215 CA GLY A 76 34.763 44.461 36.835 1.00 0.00 C ATOM 1216 C GLY A 76 33.785 45.505 36.306 1.00 0.00 C ATOM 1217 O GLY A 76 32.599 45.218 36.284 1.00 0.00 O ATOM 1218 OXT GLY A 76 34.236 46.575 35.932 1.00 0.00 O ATOM 0 H GLY A 76 35.531 44.463 34.881 1.00 0.00 H new ATOM 0 HA2 GLY A 76 34.213 43.590 37.191 1.00 0.00 H new ATOM 0 HA3 GLY A 76 35.306 44.866 37.689 1.00 0.00 H new TER 1222 GLY A 76