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 Single : A 1 MET CE :methyl -176:sc= -0.206 (180deg=-0.207) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.034 (180deg=-0.383) 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 -170:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 33:sc= 0.117 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.132 USER MOD Single : A 25 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.044) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0238 K(o=-0.024,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= -0.0707 (180deg=-0.278) USER MOD Single : A 34 THR OG1 : rot -70:sc= 0.0381 USER MOD Single : A 40 GLN : amide:sc= 0.11 K(o=0.11,f=-4.9!) USER MOD Single : A 41 GLN : amide:sc= -2.41 X(o=-2.4,f=-2.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0219 K(o=-0.022,f=-1.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0519 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 0:sc= -0.22 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -90:sc= 1.31 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -3.69! K(o=-3.7!,f=-4.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.937 24.013 1.872 1.00 0.00 N ATOM 2 CA MET A 1 25.159 24.508 3.044 1.00 0.00 C ATOM 3 C MET A 1 26.013 25.492 3.838 1.00 0.00 C ATOM 4 O MET A 1 26.697 25.110 4.787 1.00 0.00 O ATOM 5 CB MET A 1 24.766 23.324 3.931 1.00 0.00 C ATOM 6 CG MET A 1 23.804 23.800 5.022 1.00 0.00 C ATOM 7 SD MET A 1 23.392 22.415 6.114 1.00 0.00 S ATOM 8 CE MET A 1 24.689 22.697 7.347 1.00 0.00 C ATOM 0 H1 MET A 1 25.357 23.342 1.329 1.00 0.00 H new ATOM 0 H2 MET A 1 26.198 24.816 1.265 1.00 0.00 H new ATOM 0 H3 MET A 1 26.799 23.536 2.204 1.00 0.00 H new ATOM 0 HA MET A 1 24.256 25.012 2.700 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.295 22.546 3.330 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.655 22.883 4.382 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.260 24.606 5.597 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.897 24.203 4.571 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.664 21.900 8.090 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.662 22.705 6.856 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.522 23.656 7.837 1.00 0.00 H new ATOM 18 N GLN A 2 25.966 26.763 3.443 1.00 0.00 N ATOM 19 CA GLN A 2 26.738 27.800 4.125 1.00 0.00 C ATOM 20 C GLN A 2 25.936 28.380 5.285 1.00 0.00 C ATOM 21 O GLN A 2 24.776 28.025 5.489 1.00 0.00 O ATOM 22 CB GLN A 2 27.091 28.917 3.142 1.00 0.00 C ATOM 23 CG GLN A 2 28.004 28.366 2.045 1.00 0.00 C ATOM 24 CD GLN A 2 28.332 29.465 1.041 1.00 0.00 C ATOM 25 OE1 GLN A 2 27.454 29.921 0.307 1.00 0.00 O ATOM 26 NE2 GLN A 2 29.551 29.924 0.966 1.00 0.00 N ATOM 0 H GLN A 2 25.405 27.098 2.659 1.00 0.00 H new ATOM 0 HA GLN A 2 27.654 27.354 4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.183 29.327 2.701 1.00 0.00 H new ATOM 0 HB3 GLN A 2 27.588 29.733 3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 2 28.923 27.978 2.485 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.517 27.533 1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 2 30.277 29.545 1.574 1.00 0.00 H new ATOM 0 HE22 GLN A 2 29.778 30.661 0.299 1.00 0.00 H new ATOM 35 N ILE A 3 26.561 29.280 6.043 1.00 0.00 N ATOM 36 CA ILE A 3 25.895 29.909 7.184 1.00 0.00 C ATOM 37 C ILE A 3 26.438 31.315 7.414 1.00 0.00 C ATOM 38 O ILE A 3 27.621 31.578 7.199 1.00 0.00 O ATOM 39 CB ILE A 3 26.112 29.072 8.446 1.00 0.00 C ATOM 40 CG1 ILE A 3 27.607 28.784 8.615 1.00 0.00 C ATOM 41 CG2 ILE A 3 25.343 27.754 8.331 1.00 0.00 C ATOM 42 CD1 ILE A 3 27.863 28.187 9.999 1.00 0.00 C ATOM 0 H ILE A 3 27.521 29.589 5.890 1.00 0.00 H new ATOM 0 HA ILE A 3 24.829 29.970 6.965 1.00 0.00 H new ATOM 0 HB ILE A 3 25.748 29.623 9.313 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.944 28.093 7.842 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.180 29.703 8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.500 27.161 9.232 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.279 27.962 8.215 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.701 27.199 7.464 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.927 27.983 10.116 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.542 28.893 10.765 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.302 27.258 10.104 1.00 0.00 H new ATOM 54 N PHE A 4 25.565 32.217 7.863 1.00 0.00 N ATOM 55 CA PHE A 4 25.959 33.600 8.137 1.00 0.00 C ATOM 56 C PHE A 4 26.103 33.814 9.640 1.00 0.00 C ATOM 57 O PHE A 4 25.126 33.764 10.381 1.00 0.00 O ATOM 58 CB PHE A 4 24.908 34.571 7.579 1.00 0.00 C ATOM 59 CG PHE A 4 24.426 34.126 6.208 1.00 0.00 C ATOM 60 CD1 PHE A 4 25.284 33.459 5.313 1.00 0.00 C ATOM 61 CD2 PHE A 4 23.106 34.399 5.827 1.00 0.00 C ATOM 62 CE1 PHE A 4 24.816 33.073 4.051 1.00 0.00 C ATOM 63 CE2 PHE A 4 22.642 34.010 4.566 1.00 0.00 C ATOM 64 CZ PHE A 4 23.496 33.348 3.678 1.00 0.00 C ATOM 0 H PHE A 4 24.582 32.016 8.045 1.00 0.00 H new ATOM 0 HA PHE A 4 26.916 33.792 7.652 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.062 34.629 8.264 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.333 35.572 7.511 1.00 0.00 H new ATOM 0 HD1 PHE A 4 26.303 33.245 5.600 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.444 34.912 6.509 1.00 0.00 H new ATOM 0 HE1 PHE A 4 25.475 32.562 3.365 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.623 34.221 4.278 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.136 33.049 2.704 1.00 0.00 H new ATOM 74 N VAL A 5 27.335 34.056 10.077 1.00 0.00 N ATOM 75 CA VAL A 5 27.614 34.280 11.495 1.00 0.00 C ATOM 76 C VAL A 5 27.524 35.763 11.833 1.00 0.00 C ATOM 77 O VAL A 5 28.011 36.610 11.086 1.00 0.00 O ATOM 78 CB VAL A 5 29.012 33.766 11.837 1.00 0.00 C ATOM 79 CG1 VAL A 5 29.113 32.277 11.497 1.00 0.00 C ATOM 80 CG2 VAL A 5 30.046 34.540 11.031 1.00 0.00 C ATOM 0 H VAL A 5 28.156 34.102 9.473 1.00 0.00 H new ATOM 0 HA VAL A 5 26.871 33.739 12.081 1.00 0.00 H new ATOM 0 HB VAL A 5 29.197 33.906 12.902 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.111 31.915 11.742 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.373 31.721 12.073 1.00 0.00 H new ATOM 0 HG13 VAL A 5 28.926 32.133 10.433 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.044 34.175 11.273 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.857 34.400 9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.978 35.600 11.275 1.00 0.00 H new ATOM 90 N LYS A 6 26.900 36.069 12.966 1.00 0.00 N ATOM 91 CA LYS A 6 26.756 37.454 13.394 1.00 0.00 C ATOM 92 C LYS A 6 28.090 37.999 13.891 1.00 0.00 C ATOM 93 O LYS A 6 28.541 37.663 14.987 1.00 0.00 O ATOM 94 CB LYS A 6 25.716 37.552 14.511 1.00 0.00 C ATOM 95 CG LYS A 6 25.432 39.024 14.820 1.00 0.00 C ATOM 96 CD LYS A 6 24.351 39.123 15.898 1.00 0.00 C ATOM 97 CE LYS A 6 23.988 40.591 16.131 1.00 0.00 C ATOM 98 NZ LYS A 6 25.181 41.324 16.640 1.00 0.00 N1+ ATOM 0 H LYS A 6 26.489 35.382 13.599 1.00 0.00 H new ATOM 0 HA LYS A 6 26.427 38.046 12.540 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.797 37.049 14.211 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.079 37.046 15.405 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.343 39.517 15.158 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.107 39.540 13.916 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.467 38.564 15.592 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.707 38.675 16.826 1.00 0.00 H new ATOM 0 HE2 LYS A 6 23.640 41.042 15.202 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.170 40.665 16.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.880 42.224 17.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.664 40.746 17.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.833 41.515 15.853 1.00 0.00 H new ATOM 112 N GLY A 7 28.719 38.840 13.078 1.00 0.00 N ATOM 113 CA GLY A 7 30.002 39.424 13.444 1.00 0.00 C ATOM 114 C GLY A 7 29.821 40.527 14.478 1.00 0.00 C ATOM 115 O GLY A 7 28.765 41.157 14.552 1.00 0.00 O ATOM 0 H GLY A 7 28.364 39.131 12.167 1.00 0.00 H new ATOM 0 HA2 GLY A 7 30.658 38.650 13.843 1.00 0.00 H new ATOM 0 HA3 GLY A 7 30.489 39.828 12.556 1.00 0.00 H new ATOM 119 N LEU A 8 30.859 40.759 15.274 1.00 0.00 N ATOM 120 CA LEU A 8 30.808 41.792 16.302 1.00 0.00 C ATOM 121 C LEU A 8 30.621 43.165 15.664 1.00 0.00 C ATOM 122 O LEU A 8 29.909 44.017 16.198 1.00 0.00 O ATOM 123 CB LEU A 8 32.104 41.782 17.121 1.00 0.00 C ATOM 124 CG LEU A 8 32.214 40.487 17.940 1.00 0.00 C ATOM 125 CD1 LEU A 8 33.640 40.362 18.484 1.00 0.00 C ATOM 126 CD2 LEU A 8 31.217 40.502 19.116 1.00 0.00 C ATOM 0 H LEU A 8 31.741 40.249 15.228 1.00 0.00 H new ATOM 0 HA LEU A 8 29.963 41.586 16.959 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.962 41.872 16.455 1.00 0.00 H new ATOM 0 HB3 LEU A 8 32.126 42.644 17.788 1.00 0.00 H new ATOM 0 HG LEU A 8 31.980 39.639 17.297 1.00 0.00 H new ATOM 0 HD11 LEU A 8 33.728 39.445 19.067 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.345 40.333 17.653 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.863 41.219 19.119 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.310 39.576 19.684 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.434 41.350 19.766 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.201 40.590 18.731 1.00 0.00 H new ATOM 138 N THR A 9 31.271 43.374 14.524 1.00 0.00 N ATOM 139 CA THR A 9 31.179 44.649 13.820 1.00 0.00 C ATOM 140 C THR A 9 29.734 44.971 13.451 1.00 0.00 C ATOM 141 O THR A 9 29.226 46.045 13.774 1.00 0.00 O ATOM 142 CB THR A 9 32.029 44.598 12.549 1.00 0.00 C ATOM 143 OG1 THR A 9 33.346 44.184 12.879 1.00 0.00 O ATOM 144 CG2 THR A 9 32.071 45.984 11.904 1.00 0.00 C ATOM 0 H THR A 9 31.865 42.681 14.069 1.00 0.00 H new ATOM 0 HA THR A 9 31.548 45.431 14.483 1.00 0.00 H new ATOM 0 HB THR A 9 31.591 43.889 11.847 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.891 44.149 12.066 1.00 0.00 H new ATOM 0 HG21 THR A 9 32.677 45.946 10.999 1.00 0.00 H new ATOM 0 HG22 THR A 9 31.059 46.298 11.650 1.00 0.00 H new ATOM 0 HG23 THR A 9 32.507 46.697 12.603 1.00 0.00 H new ATOM 152 N GLY A 10 29.073 44.035 12.773 1.00 0.00 N ATOM 153 CA GLY A 10 27.684 44.236 12.367 1.00 0.00 C ATOM 154 C GLY A 10 27.347 43.394 11.142 1.00 0.00 C ATOM 155 O GLY A 10 26.281 42.781 11.072 1.00 0.00 O ATOM 0 H GLY A 10 29.472 43.138 12.495 1.00 0.00 H new ATOM 0 HA2 GLY A 10 27.019 43.971 13.189 1.00 0.00 H new ATOM 0 HA3 GLY A 10 27.514 45.290 12.146 1.00 0.00 H new ATOM 159 N LYS A 11 28.260 43.369 10.176 1.00 0.00 N ATOM 160 CA LYS A 11 28.046 42.599 8.956 1.00 0.00 C ATOM 161 C LYS A 11 28.320 41.120 9.205 1.00 0.00 C ATOM 162 O LYS A 11 29.304 40.762 9.852 1.00 0.00 O ATOM 163 CB LYS A 11 28.961 43.113 7.842 1.00 0.00 C ATOM 164 CG LYS A 11 28.538 44.532 7.449 1.00 0.00 C ATOM 165 CD LYS A 11 29.437 45.039 6.318 1.00 0.00 C ATOM 166 CE LYS A 11 29.021 46.459 5.932 1.00 0.00 C ATOM 167 NZ LYS A 11 29.923 46.965 4.859 1.00 0.00 N1+ ATOM 0 H LYS A 11 29.148 43.869 10.213 1.00 0.00 H new ATOM 0 HA LYS A 11 27.007 42.719 8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.998 43.111 8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 11 28.905 42.452 6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 11 27.496 44.537 7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.610 45.196 8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.480 45.028 6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 11 29.360 44.379 5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 11 27.987 46.466 5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 11 29.070 47.113 6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 29.641 47.931 4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.904 46.973 5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.854 46.345 4.027 1.00 0.00 H new ATOM 181 N THR A 12 27.444 40.266 8.689 1.00 0.00 N ATOM 182 CA THR A 12 27.602 38.827 8.866 1.00 0.00 C ATOM 183 C THR A 12 28.724 38.298 7.987 1.00 0.00 C ATOM 184 O THR A 12 29.184 38.981 7.072 1.00 0.00 O ATOM 185 CB THR A 12 26.300 38.109 8.513 1.00 0.00 C ATOM 186 OG1 THR A 12 26.175 38.024 7.101 1.00 0.00 O ATOM 187 CG2 THR A 12 25.117 38.885 9.086 1.00 0.00 C ATOM 0 H THR A 12 26.624 40.541 8.149 1.00 0.00 H new ATOM 0 HA THR A 12 27.851 38.638 9.910 1.00 0.00 H new ATOM 0 HB THR A 12 26.312 37.105 8.937 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.276 37.709 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.189 38.372 8.834 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.214 38.948 10.170 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.102 39.890 8.664 1.00 0.00 H new ATOM 195 N THR A 13 29.167 37.073 8.274 1.00 0.00 N ATOM 196 CA THR A 13 30.247 36.448 7.506 1.00 0.00 C ATOM 197 C THR A 13 29.812 35.066 7.005 1.00 0.00 C ATOM 198 O THR A 13 29.338 34.232 7.772 1.00 0.00 O ATOM 199 CB THR A 13 31.507 36.358 8.396 1.00 0.00 C ATOM 200 OG1 THR A 13 32.242 37.566 8.276 1.00 0.00 O ATOM 201 CG2 THR A 13 32.403 35.185 7.981 1.00 0.00 C ATOM 0 H THR A 13 28.797 36.495 9.029 1.00 0.00 H new ATOM 0 HA THR A 13 30.480 37.052 6.629 1.00 0.00 H new ATOM 0 HB THR A 13 31.190 36.198 9.426 1.00 0.00 H new ATOM 0 HG1 THR A 13 33.043 37.519 8.839 1.00 0.00 H new ATOM 0 HG21 THR A 13 33.280 35.151 8.627 1.00 0.00 H new ATOM 0 HG22 THR A 13 31.847 34.252 8.074 1.00 0.00 H new ATOM 0 HG23 THR A 13 32.720 35.317 6.946 1.00 0.00 H new ATOM 209 N THR A 14 29.982 34.834 5.709 1.00 0.00 N ATOM 210 CA THR A 14 29.613 33.552 5.121 1.00 0.00 C ATOM 211 C THR A 14 30.703 32.521 5.390 1.00 0.00 C ATOM 212 O THR A 14 31.887 32.789 5.186 1.00 0.00 O ATOM 213 CB THR A 14 29.406 33.710 3.614 1.00 0.00 C ATOM 214 OG1 THR A 14 30.572 34.281 3.036 1.00 0.00 O ATOM 215 CG2 THR A 14 28.206 34.623 3.358 1.00 0.00 C ATOM 0 H THR A 14 30.369 35.510 5.050 1.00 0.00 H new ATOM 0 HA THR A 14 28.683 33.210 5.574 1.00 0.00 H new ATOM 0 HB THR A 14 29.219 32.734 3.166 1.00 0.00 H new ATOM 0 HG1 THR A 14 31.363 33.977 3.527 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.058 34.736 2.284 1.00 0.00 H new ATOM 0 HG22 THR A 14 27.313 34.184 3.803 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.391 35.600 3.804 1.00 0.00 H new ATOM 223 N LEU A 15 30.298 31.343 5.860 1.00 0.00 N ATOM 224 CA LEU A 15 31.246 30.267 6.169 1.00 0.00 C ATOM 225 C LEU A 15 30.803 28.965 5.501 1.00 0.00 C ATOM 226 O LEU A 15 29.611 28.694 5.367 1.00 0.00 O ATOM 227 CB LEU A 15 31.326 30.083 7.700 1.00 0.00 C ATOM 228 CG LEU A 15 32.383 31.039 8.305 1.00 0.00 C ATOM 229 CD1 LEU A 15 31.997 31.410 9.743 1.00 0.00 C ATOM 230 CD2 LEU A 15 33.752 30.350 8.316 1.00 0.00 C ATOM 0 H LEU A 15 29.322 31.106 6.036 1.00 0.00 H new ATOM 0 HA LEU A 15 32.231 30.531 5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.351 30.278 8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.583 29.050 7.935 1.00 0.00 H new ATOM 0 HG LEU A 15 32.428 31.943 7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.747 32.083 10.159 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.026 31.905 9.743 1.00 0.00 H new ATOM 0 HD13 LEU A 15 31.943 30.506 10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.495 31.024 8.742 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.698 29.443 8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.038 30.093 7.296 1.00 0.00 H new ATOM 242 N GLU A 16 31.783 28.163 5.088 1.00 0.00 N ATOM 243 CA GLU A 16 31.500 26.885 4.436 1.00 0.00 C ATOM 244 C GLU A 16 31.411 25.770 5.473 1.00 0.00 C ATOM 245 O GLU A 16 32.364 25.516 6.209 1.00 0.00 O ATOM 246 CB GLU A 16 32.599 26.558 3.422 1.00 0.00 C ATOM 247 CG GLU A 16 32.245 25.262 2.688 1.00 0.00 C ATOM 248 CD GLU A 16 33.251 25.002 1.572 1.00 0.00 C ATOM 249 OE1 GLU A 16 34.269 25.673 1.550 1.00 0.00 O ATOM 250 OE2 GLU A 16 32.988 24.134 0.756 1.00 0.00 O1- ATOM 0 H GLU A 16 32.776 28.374 5.192 1.00 0.00 H new ATOM 0 HA GLU A 16 30.545 26.964 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.706 27.375 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.557 26.451 3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.243 24.427 3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.240 25.333 2.273 1.00 0.00 H new ATOM 257 N VAL A 17 30.257 25.109 5.525 1.00 0.00 N ATOM 258 CA VAL A 17 30.040 24.018 6.475 1.00 0.00 C ATOM 259 C VAL A 17 29.163 22.938 5.852 1.00 0.00 C ATOM 260 O VAL A 17 28.517 23.167 4.829 1.00 0.00 O ATOM 261 CB VAL A 17 29.363 24.557 7.737 1.00 0.00 C ATOM 262 CG1 VAL A 17 30.276 25.582 8.412 1.00 0.00 C ATOM 263 CG2 VAL A 17 28.041 25.225 7.356 1.00 0.00 C ATOM 0 H VAL A 17 29.459 25.308 4.922 1.00 0.00 H new ATOM 0 HA VAL A 17 31.006 23.585 6.734 1.00 0.00 H new ATOM 0 HB VAL A 17 29.172 23.735 8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.792 25.965 9.311 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.219 25.107 8.682 1.00 0.00 H new ATOM 0 HG13 VAL A 17 30.469 26.406 7.725 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.556 25.610 8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 17 28.234 26.047 6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.389 24.495 6.876 1.00 0.00 H new ATOM 273 N GLU A 18 29.138 21.759 6.476 1.00 0.00 N ATOM 274 CA GLU A 18 28.330 20.644 5.975 1.00 0.00 C ATOM 275 C GLU A 18 27.728 19.858 7.148 1.00 0.00 C ATOM 276 O GLU A 18 28.350 19.763 8.206 1.00 0.00 O ATOM 277 CB GLU A 18 29.199 19.706 5.132 1.00 0.00 C ATOM 278 CG GLU A 18 29.738 20.452 3.904 1.00 0.00 C ATOM 279 CD GLU A 18 30.942 21.306 4.289 1.00 0.00 C ATOM 280 OE1 GLU A 18 31.292 21.312 5.457 1.00 0.00 O ATOM 281 OE2 GLU A 18 31.496 21.943 3.408 1.00 0.00 O1- ATOM 0 H GLU A 18 29.665 21.551 7.325 1.00 0.00 H new ATOM 0 HA GLU A 18 27.525 21.047 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.028 19.328 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.615 18.842 4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.023 19.737 3.132 1.00 0.00 H new ATOM 0 HG3 GLU A 18 28.956 21.083 3.481 1.00 0.00 H new ATOM 288 N PRO A 19 26.551 19.285 6.996 1.00 0.00 N ATOM 289 CA PRO A 19 25.911 18.497 8.089 1.00 0.00 C ATOM 290 C PRO A 19 26.912 17.595 8.811 1.00 0.00 C ATOM 291 O PRO A 19 26.952 17.553 10.040 1.00 0.00 O ATOM 292 CB PRO A 19 24.854 17.663 7.356 1.00 0.00 C ATOM 293 CG PRO A 19 24.466 18.483 6.167 1.00 0.00 C ATOM 294 CD PRO A 19 25.699 19.320 5.787 1.00 0.00 C ATOM 0 HA PRO A 19 25.495 19.136 8.868 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.255 16.696 7.054 1.00 0.00 H new ATOM 0 HB3 PRO A 19 23.994 17.466 7.996 1.00 0.00 H new ATOM 0 HG2 PRO A 19 24.162 17.844 5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 19 23.618 19.127 6.401 1.00 0.00 H new ATOM 0 HD2 PRO A 19 26.215 18.899 4.924 1.00 0.00 H new ATOM 0 HD3 PRO A 19 25.421 20.341 5.525 1.00 0.00 H new ATOM 302 N SER A 20 27.712 16.873 8.033 1.00 0.00 N ATOM 303 CA SER A 20 28.704 15.969 8.601 1.00 0.00 C ATOM 304 C SER A 20 29.763 16.746 9.371 1.00 0.00 C ATOM 305 O SER A 20 30.303 16.261 10.365 1.00 0.00 O ATOM 306 CB SER A 20 29.372 15.167 7.486 1.00 0.00 C ATOM 307 OG SER A 20 30.060 16.057 6.615 1.00 0.00 O ATOM 0 H SER A 20 27.693 16.896 7.013 1.00 0.00 H new ATOM 0 HA SER A 20 28.198 15.291 9.288 1.00 0.00 H new ATOM 0 HB2 SER A 20 30.068 14.443 7.910 1.00 0.00 H new ATOM 0 HB3 SER A 20 28.624 14.602 6.930 1.00 0.00 H new ATOM 0 HG SER A 20 30.491 15.546 5.899 1.00 0.00 H new ATOM 313 N ASP A 21 30.058 17.954 8.904 1.00 0.00 N ATOM 314 CA ASP A 21 31.058 18.788 9.556 1.00 0.00 C ATOM 315 C ASP A 21 30.667 19.054 11.005 1.00 0.00 C ATOM 316 O ASP A 21 29.562 19.521 11.286 1.00 0.00 O ATOM 317 CB ASP A 21 31.198 20.115 8.812 1.00 0.00 C ATOM 318 CG ASP A 21 32.455 20.842 9.276 1.00 0.00 C ATOM 319 OD1 ASP A 21 33.524 20.265 9.165 1.00 0.00 O1- ATOM 320 OD2 ASP A 21 32.330 21.965 9.737 1.00 0.00 O ATOM 0 H ASP A 21 29.622 18.374 8.083 1.00 0.00 H new ATOM 0 HA ASP A 21 32.012 18.261 9.538 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.247 19.936 7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.321 20.737 8.992 1.00 0.00 H new ATOM 325 N THR A 22 31.580 18.753 11.923 1.00 0.00 N ATOM 326 CA THR A 22 31.326 18.960 13.345 1.00 0.00 C ATOM 327 C THR A 22 31.613 20.406 13.733 1.00 0.00 C ATOM 328 O THR A 22 32.401 21.086 13.077 1.00 0.00 O ATOM 329 CB THR A 22 32.212 18.027 14.173 1.00 0.00 C ATOM 330 OG1 THR A 22 33.571 18.420 14.030 1.00 0.00 O ATOM 331 CG2 THR A 22 32.042 16.587 13.687 1.00 0.00 C ATOM 0 H THR A 22 32.499 18.366 11.709 1.00 0.00 H new ATOM 0 HA THR A 22 30.277 18.741 13.544 1.00 0.00 H new ATOM 0 HB THR A 22 31.922 18.088 15.222 1.00 0.00 H new ATOM 0 HG1 THR A 22 34.152 17.738 14.426 1.00 0.00 H new ATOM 0 HG21 THR A 22 32.675 15.926 14.279 1.00 0.00 H new ATOM 0 HG22 THR A 22 31.000 16.287 13.797 1.00 0.00 H new ATOM 0 HG23 THR A 22 32.330 16.521 12.638 1.00 0.00 H new ATOM 339 N ILE A 23 30.981 20.863 14.808 1.00 0.00 N ATOM 340 CA ILE A 23 31.183 22.228 15.283 1.00 0.00 C ATOM 341 C ILE A 23 32.663 22.442 15.593 1.00 0.00 C ATOM 342 O ILE A 23 33.159 23.568 15.555 1.00 0.00 O ATOM 343 CB ILE A 23 30.310 22.483 16.533 1.00 0.00 C ATOM 344 CG1 ILE A 23 28.869 22.837 16.115 1.00 0.00 C ATOM 345 CG2 ILE A 23 30.878 23.647 17.360 1.00 0.00 C ATOM 346 CD1 ILE A 23 28.357 21.867 15.044 1.00 0.00 C ATOM 0 H ILE A 23 30.328 20.312 15.365 1.00 0.00 H new ATOM 0 HA ILE A 23 30.884 22.937 14.511 1.00 0.00 H new ATOM 0 HB ILE A 23 30.310 21.573 17.133 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.214 22.802 16.986 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.837 23.857 15.733 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.250 23.812 18.236 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.891 23.405 17.680 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.896 24.551 16.751 1.00 0.00 H new ATOM 0 HD11 ILE A 23 27.338 22.137 14.765 1.00 0.00 H new ATOM 0 HD12 ILE A 23 29.000 21.922 14.166 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.368 20.851 15.438 1.00 0.00 H new ATOM 358 N GLU A 24 33.366 21.352 15.883 1.00 0.00 N ATOM 359 CA GLU A 24 34.788 21.438 16.178 1.00 0.00 C ATOM 360 C GLU A 24 35.520 22.023 14.977 1.00 0.00 C ATOM 361 O GLU A 24 36.384 22.886 15.122 1.00 0.00 O ATOM 362 CB GLU A 24 35.342 20.050 16.500 1.00 0.00 C ATOM 363 CG GLU A 24 34.748 19.562 17.822 1.00 0.00 C ATOM 364 CD GLU A 24 35.190 18.129 18.099 1.00 0.00 C ATOM 365 OE1 GLU A 24 36.086 17.663 17.413 1.00 0.00 O ATOM 366 OE2 GLU A 24 34.625 17.516 18.989 1.00 0.00 O1- ATOM 0 H GLU A 24 32.978 20.409 15.919 1.00 0.00 H new ATOM 0 HA GLU A 24 34.937 22.084 17.043 1.00 0.00 H new ATOM 0 HB2 GLU A 24 35.096 19.353 15.699 1.00 0.00 H new ATOM 0 HB3 GLU A 24 36.429 20.087 16.568 1.00 0.00 H new ATOM 0 HG2 GLU A 24 35.068 20.213 18.636 1.00 0.00 H new ATOM 0 HG3 GLU A 24 33.660 19.614 17.782 1.00 0.00 H new ATOM 373 N ASN A 25 35.150 21.553 13.789 1.00 0.00 N ATOM 374 CA ASN A 25 35.760 22.045 12.562 1.00 0.00 C ATOM 375 C ASN A 25 35.353 23.496 12.324 1.00 0.00 C ATOM 376 O ASN A 25 36.181 24.330 11.962 1.00 0.00 O ATOM 377 CB ASN A 25 35.318 21.183 11.377 1.00 0.00 C ATOM 378 CG ASN A 25 36.167 21.507 10.152 1.00 0.00 C ATOM 379 OD1 ASN A 25 37.374 21.268 10.152 1.00 0.00 O ATOM 380 ND2 ASN A 25 35.603 22.041 9.103 1.00 0.00 N ATOM 0 H ASN A 25 34.436 20.837 13.652 1.00 0.00 H new ATOM 0 HA ASN A 25 36.844 21.989 12.659 1.00 0.00 H new ATOM 0 HB2 ASN A 25 35.415 20.127 11.628 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.265 21.363 11.158 1.00 0.00 H new ATOM 0 HD21 ASN A 25 36.163 22.262 8.280 1.00 0.00 H new ATOM 0 HD22 ASN A 25 34.602 22.238 9.107 1.00 0.00 H new ATOM 387 N VAL A 26 34.070 23.789 12.534 1.00 0.00 N ATOM 388 CA VAL A 26 33.567 25.146 12.341 1.00 0.00 C ATOM 389 C VAL A 26 34.379 26.125 13.186 1.00 0.00 C ATOM 390 O VAL A 26 34.813 27.168 12.697 1.00 0.00 O ATOM 391 CB VAL A 26 32.085 25.230 12.738 1.00 0.00 C ATOM 392 CG1 VAL A 26 31.510 26.581 12.305 1.00 0.00 C ATOM 393 CG2 VAL A 26 31.299 24.111 12.047 1.00 0.00 C ATOM 0 H VAL A 26 33.368 23.113 12.834 1.00 0.00 H new ATOM 0 HA VAL A 26 33.665 25.407 11.287 1.00 0.00 H new ATOM 0 HB VAL A 26 32.002 25.124 13.820 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.459 26.637 12.588 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.061 27.384 12.794 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.600 26.685 11.224 1.00 0.00 H new ATOM 0 HG21 VAL A 26 30.249 24.175 12.332 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.389 24.217 10.966 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.699 23.144 12.351 1.00 0.00 H new ATOM 403 N LYS A 27 34.593 25.774 14.450 1.00 0.00 N ATOM 404 CA LYS A 27 35.369 26.625 15.346 1.00 0.00 C ATOM 405 C LYS A 27 36.788 26.783 14.810 1.00 0.00 C ATOM 406 O LYS A 27 37.381 27.857 14.903 1.00 0.00 O ATOM 407 CB LYS A 27 35.409 26.012 16.749 1.00 0.00 C ATOM 408 CG LYS A 27 34.054 26.203 17.434 1.00 0.00 C ATOM 409 CD LYS A 27 34.078 25.530 18.808 1.00 0.00 C ATOM 410 CE LYS A 27 32.769 25.822 19.546 1.00 0.00 C ATOM 411 NZ LYS A 27 32.784 25.140 20.872 1.00 0.00 N1+ ATOM 0 H LYS A 27 34.244 24.915 14.874 1.00 0.00 H new ATOM 0 HA LYS A 27 34.896 27.605 15.401 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.649 24.951 16.686 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.195 26.482 17.340 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.835 27.265 17.541 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.261 25.775 16.821 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.211 24.454 18.695 1.00 0.00 H new ATOM 0 HD3 LYS A 27 34.924 25.897 19.389 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.646 26.897 19.679 1.00 0.00 H new ATOM 0 HE3 LYS A 27 31.921 25.475 18.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.895 25.338 21.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 32.883 24.114 20.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.585 25.492 21.434 1.00 0.00 H new ATOM 425 N ALA A 28 37.322 25.707 14.237 1.00 0.00 N ATOM 426 CA ALA A 28 38.667 25.743 13.675 1.00 0.00 C ATOM 427 C ALA A 28 38.711 26.688 12.479 1.00 0.00 C ATOM 428 O ALA A 28 39.637 27.487 12.340 1.00 0.00 O ATOM 429 CB ALA A 28 39.088 24.337 13.238 1.00 0.00 C ATOM 0 H ALA A 28 36.848 24.808 14.151 1.00 0.00 H new ATOM 0 HA ALA A 28 39.357 26.103 14.438 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.094 24.372 12.819 1.00 0.00 H new ATOM 0 HB2 ALA A 28 39.077 23.670 14.100 1.00 0.00 H new ATOM 0 HB3 ALA A 28 38.394 23.967 12.484 1.00 0.00 H new ATOM 435 N LYS A 29 37.694 26.601 11.628 1.00 0.00 N ATOM 436 CA LYS A 29 37.614 27.464 10.455 1.00 0.00 C ATOM 437 C LYS A 29 37.516 28.919 10.895 1.00 0.00 C ATOM 438 O LYS A 29 38.171 29.798 10.337 1.00 0.00 O ATOM 439 CB LYS A 29 36.382 27.098 9.619 1.00 0.00 C ATOM 440 CG LYS A 29 36.551 25.699 8.999 1.00 0.00 C ATOM 441 CD LYS A 29 37.341 25.789 7.687 1.00 0.00 C ATOM 442 CE LYS A 29 37.399 24.408 7.031 1.00 0.00 C ATOM 443 NZ LYS A 29 38.170 24.496 5.760 1.00 0.00 N1+ ATOM 0 H LYS A 29 36.918 25.946 11.727 1.00 0.00 H new ATOM 0 HA LYS A 29 38.511 27.326 9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.490 27.120 10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.237 27.837 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.069 25.044 9.699 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.573 25.256 8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.868 26.504 7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 29 38.350 26.154 7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 29 37.869 23.692 7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.391 24.045 6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.210 23.558 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.703 25.167 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.136 24.825 5.962 1.00 0.00 H new ATOM 457 N ILE A 30 36.688 29.155 11.905 1.00 0.00 N ATOM 458 CA ILE A 30 36.493 30.497 12.438 1.00 0.00 C ATOM 459 C ILE A 30 37.800 31.037 13.018 1.00 0.00 C ATOM 460 O ILE A 30 38.156 32.195 12.797 1.00 0.00 O ATOM 461 CB ILE A 30 35.413 30.456 13.522 1.00 0.00 C ATOM 462 CG1 ILE A 30 34.054 30.160 12.878 1.00 0.00 C ATOM 463 CG2 ILE A 30 35.347 31.800 14.251 1.00 0.00 C ATOM 464 CD1 ILE A 30 33.056 29.733 13.959 1.00 0.00 C ATOM 0 H ILE A 30 36.140 28.433 12.372 1.00 0.00 H new ATOM 0 HA ILE A 30 36.177 31.160 11.633 1.00 0.00 H new ATOM 0 HB ILE A 30 35.660 29.673 14.239 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.686 31.045 12.358 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.157 29.372 12.132 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.575 31.759 15.020 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.311 32.010 14.715 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.108 32.589 13.538 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.090 29.523 13.500 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.423 28.837 14.459 1.00 0.00 H new ATOM 0 HD13 ILE A 30 32.944 30.535 14.688 1.00 0.00 H new ATOM 476 N GLN A 31 38.512 30.190 13.757 1.00 0.00 N ATOM 477 CA GLN A 31 39.779 30.592 14.361 1.00 0.00 C ATOM 478 C GLN A 31 40.684 31.247 13.320 1.00 0.00 C ATOM 479 O GLN A 31 41.707 31.845 13.655 1.00 0.00 O ATOM 480 CB GLN A 31 40.479 29.364 14.957 1.00 0.00 C ATOM 481 CG GLN A 31 41.685 29.805 15.791 1.00 0.00 C ATOM 482 CD GLN A 31 42.243 28.615 16.566 1.00 0.00 C ATOM 483 OE1 GLN A 31 41.562 27.601 16.724 1.00 0.00 O ATOM 484 NE2 GLN A 31 43.449 28.677 17.062 1.00 0.00 N ATOM 0 H GLN A 31 38.236 29.228 13.951 1.00 0.00 H new ATOM 0 HA GLN A 31 39.576 31.315 15.151 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.781 28.803 15.579 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.803 28.696 14.159 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.455 30.220 15.141 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.391 30.595 16.482 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.012 29.517 16.930 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.828 27.885 17.581 1.00 0.00 H new ATOM 493 N ASP A 32 40.291 31.141 12.054 1.00 0.00 N ATOM 494 CA ASP A 32 41.063 31.731 10.965 1.00 0.00 C ATOM 495 C ASP A 32 40.658 33.186 10.747 1.00 0.00 C ATOM 496 O ASP A 32 41.494 34.030 10.424 1.00 0.00 O ATOM 497 CB ASP A 32 40.834 30.943 9.675 1.00 0.00 C ATOM 498 CG ASP A 32 41.829 31.386 8.609 1.00 0.00 C ATOM 499 OD1 ASP A 32 42.526 32.360 8.845 1.00 0.00 O1- ATOM 500 OD2 ASP A 32 41.881 30.747 7.571 1.00 0.00 O ATOM 0 H ASP A 32 39.445 30.654 11.757 1.00 0.00 H new ATOM 0 HA ASP A 32 42.119 31.693 11.234 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.945 29.876 9.867 1.00 0.00 H new ATOM 0 HB3 ASP A 32 39.815 31.099 9.320 1.00 0.00 H new ATOM 505 N LYS A 33 39.367 33.470 10.914 1.00 0.00 N ATOM 506 CA LYS A 33 38.855 34.828 10.721 1.00 0.00 C ATOM 507 C LYS A 33 38.852 35.615 12.030 1.00 0.00 C ATOM 508 O LYS A 33 38.652 36.829 12.028 1.00 0.00 O ATOM 509 CB LYS A 33 37.429 34.772 10.172 1.00 0.00 C ATOM 510 CG LYS A 33 37.440 34.146 8.776 1.00 0.00 C ATOM 511 CD LYS A 33 36.031 34.202 8.184 1.00 0.00 C ATOM 512 CE LYS A 33 36.040 33.585 6.786 1.00 0.00 C ATOM 513 NZ LYS A 33 34.684 33.708 6.180 1.00 0.00 N1+ ATOM 0 H LYS A 33 38.660 32.784 11.180 1.00 0.00 H new ATOM 0 HA LYS A 33 39.512 35.333 10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.795 34.188 10.839 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.006 35.776 10.128 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.139 34.679 8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.783 33.113 8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 33 35.334 33.664 8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 33 35.687 35.235 8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.777 34.088 6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.331 32.536 6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 34.641 33.144 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 33.971 33.360 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 34.492 34.706 5.957 1.00 0.00 H new ATOM 527 N THR A 34 39.072 34.923 13.148 1.00 0.00 N ATOM 528 CA THR A 34 39.088 35.572 14.465 1.00 0.00 C ATOM 529 C THR A 34 40.489 35.526 15.066 1.00 0.00 C ATOM 530 O THR A 34 40.931 36.477 15.712 1.00 0.00 O ATOM 531 CB THR A 34 38.105 34.865 15.402 1.00 0.00 C ATOM 532 OG1 THR A 34 38.442 33.488 15.488 1.00 0.00 O ATOM 533 CG2 THR A 34 36.684 35.011 14.855 1.00 0.00 C ATOM 0 H THR A 34 39.241 33.917 13.172 1.00 0.00 H new ATOM 0 HA THR A 34 38.792 36.614 14.343 1.00 0.00 H new ATOM 0 HB THR A 34 38.159 35.315 16.393 1.00 0.00 H new ATOM 0 HG1 THR A 34 38.239 33.048 14.636 1.00 0.00 H new ATOM 0 HG21 THR A 34 35.984 34.508 15.522 1.00 0.00 H new ATOM 0 HG22 THR A 34 36.426 36.068 14.789 1.00 0.00 H new ATOM 0 HG23 THR A 34 36.628 34.561 13.864 1.00 0.00 H new ATOM 541 N GLY A 35 41.186 34.417 14.846 1.00 0.00 N ATOM 542 CA GLY A 35 42.541 34.260 15.365 1.00 0.00 C ATOM 543 C GLY A 35 42.574 34.393 16.885 1.00 0.00 C ATOM 544 O GLY A 35 43.041 35.400 17.418 1.00 0.00 O ATOM 0 H GLY A 35 40.839 33.618 14.316 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.933 33.285 15.075 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.193 35.011 14.918 1.00 0.00 H new ATOM 548 N LEU A 36 42.085 33.369 17.581 1.00 0.00 N ATOM 549 CA LEU A 36 42.074 33.379 19.043 1.00 0.00 C ATOM 550 C LEU A 36 42.078 31.942 19.580 1.00 0.00 C ATOM 551 O LEU A 36 41.628 31.021 18.898 1.00 0.00 O ATOM 552 CB LEU A 36 40.837 34.144 19.561 1.00 0.00 C ATOM 553 CG LEU A 36 39.676 34.014 18.567 1.00 0.00 C ATOM 554 CD1 LEU A 36 39.346 32.531 18.333 1.00 0.00 C ATOM 555 CD2 LEU A 36 38.446 34.728 19.140 1.00 0.00 C ATOM 0 H LEU A 36 41.693 32.527 17.160 1.00 0.00 H new ATOM 0 HA LEU A 36 42.970 33.887 19.399 1.00 0.00 H new ATOM 0 HB2 LEU A 36 40.538 33.751 20.533 1.00 0.00 H new ATOM 0 HB3 LEU A 36 41.085 35.196 19.705 1.00 0.00 H new ATOM 0 HG LEU A 36 39.960 34.467 17.617 1.00 0.00 H new ATOM 0 HD11 LEU A 36 38.521 32.449 17.626 1.00 0.00 H new ATOM 0 HD12 LEU A 36 40.222 32.023 17.929 1.00 0.00 H new ATOM 0 HD13 LEU A 36 39.062 32.068 19.278 1.00 0.00 H new ATOM 0 HD21 LEU A 36 37.615 34.641 18.440 1.00 0.00 H new ATOM 0 HD22 LEU A 36 38.169 34.270 20.090 1.00 0.00 H new ATOM 0 HD23 LEU A 36 38.678 35.781 19.298 1.00 0.00 H new ATOM 567 N PRO A 37 42.573 31.730 20.777 1.00 0.00 N ATOM 568 CA PRO A 37 42.621 30.368 21.390 1.00 0.00 C ATOM 569 C PRO A 37 41.223 29.753 21.498 1.00 0.00 C ATOM 570 O PRO A 37 40.218 30.456 21.398 1.00 0.00 O ATOM 571 CB PRO A 37 43.259 30.603 22.777 1.00 0.00 C ATOM 572 CG PRO A 37 43.107 32.070 23.042 1.00 0.00 C ATOM 573 CD PRO A 37 43.138 32.750 21.676 1.00 0.00 C ATOM 0 HA PRO A 37 43.192 29.658 20.791 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.760 30.011 23.544 1.00 0.00 H new ATOM 0 HB3 PRO A 37 44.309 30.310 22.781 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.171 32.278 23.560 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.912 32.437 23.679 1.00 0.00 H new ATOM 0 HD2 PRO A 37 42.546 33.665 21.669 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.152 33.024 21.386 1.00 0.00 H new ATOM 581 N PRO A 38 41.145 28.461 21.686 1.00 0.00 N ATOM 582 CA PRO A 38 39.840 27.742 21.794 1.00 0.00 C ATOM 583 C PRO A 38 39.061 28.137 23.048 1.00 0.00 C ATOM 584 O PRO A 38 37.837 28.021 23.089 1.00 0.00 O ATOM 585 CB PRO A 38 40.241 26.256 21.821 1.00 0.00 C ATOM 586 CG PRO A 38 41.651 26.245 22.322 1.00 0.00 C ATOM 587 CD PRO A 38 42.288 27.544 21.823 1.00 0.00 C ATOM 0 HA PRO A 38 39.169 27.985 20.970 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.585 25.682 22.475 1.00 0.00 H new ATOM 0 HB3 PRO A 38 40.171 25.810 20.829 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.678 26.191 23.410 1.00 0.00 H new ATOM 0 HG3 PRO A 38 42.192 25.376 21.946 1.00 0.00 H new ATOM 0 HD2 PRO A 38 43.026 27.926 22.529 1.00 0.00 H new ATOM 0 HD3 PRO A 38 42.802 27.399 20.873 1.00 0.00 H new ATOM 595 N ASP A 39 39.775 28.606 24.066 1.00 0.00 N ATOM 596 CA ASP A 39 39.126 29.012 25.304 1.00 0.00 C ATOM 597 C ASP A 39 38.386 30.331 25.105 1.00 0.00 C ATOM 598 O ASP A 39 37.733 30.834 26.019 1.00 0.00 O ATOM 599 CB ASP A 39 40.160 29.155 26.422 1.00 0.00 C ATOM 600 CG ASP A 39 41.221 30.171 26.023 1.00 0.00 C ATOM 601 OD1 ASP A 39 41.061 30.784 24.982 1.00 0.00 O1- ATOM 602 OD2 ASP A 39 42.178 30.322 26.764 1.00 0.00 O ATOM 0 H ASP A 39 40.789 28.713 24.058 1.00 0.00 H new ATOM 0 HA ASP A 39 38.406 28.244 25.587 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.670 29.471 27.343 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.626 28.190 26.623 1.00 0.00 H new ATOM 607 N GLN A 40 38.481 30.876 23.891 1.00 0.00 N ATOM 608 CA GLN A 40 37.806 32.131 23.550 1.00 0.00 C ATOM 609 C GLN A 40 36.770 31.876 22.462 1.00 0.00 C ATOM 610 O GLN A 40 36.167 32.809 21.930 1.00 0.00 O ATOM 611 CB GLN A 40 38.823 33.163 23.051 1.00 0.00 C ATOM 612 CG GLN A 40 39.614 33.721 24.236 1.00 0.00 C ATOM 613 CD GLN A 40 40.667 34.707 23.739 1.00 0.00 C ATOM 614 OE1 GLN A 40 40.670 35.071 22.562 1.00 0.00 O ATOM 615 NE2 GLN A 40 41.564 35.162 24.568 1.00 0.00 N ATOM 0 H GLN A 40 39.019 30.468 23.126 1.00 0.00 H new ATOM 0 HA GLN A 40 37.314 32.519 24.442 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.501 32.702 22.333 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.310 33.972 22.531 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.939 34.217 24.934 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.093 32.907 24.780 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.559 34.859 25.542 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.271 35.821 24.243 1.00 0.00 H new ATOM 624 N GLN A 41 36.565 30.600 22.143 1.00 0.00 N ATOM 625 CA GLN A 41 35.594 30.214 21.123 1.00 0.00 C ATOM 626 C GLN A 41 34.242 29.927 21.765 1.00 0.00 C ATOM 627 O GLN A 41 34.119 29.037 22.606 1.00 0.00 O ATOM 628 CB GLN A 41 36.081 28.966 20.379 1.00 0.00 C ATOM 629 CG GLN A 41 37.227 29.344 19.440 1.00 0.00 C ATOM 630 CD GLN A 41 37.734 28.105 18.707 1.00 0.00 C ATOM 631 OE1 GLN A 41 37.810 27.025 19.292 1.00 0.00 O ATOM 632 NE2 GLN A 41 38.086 28.199 17.455 1.00 0.00 N ATOM 0 H GLN A 41 37.057 29.818 22.575 1.00 0.00 H new ATOM 0 HA GLN A 41 35.487 31.037 20.416 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.415 28.212 21.092 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.262 28.526 19.811 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.887 30.089 18.720 1.00 0.00 H new ATOM 0 HG3 GLN A 41 38.039 29.798 20.008 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.022 29.096 16.973 1.00 0.00 H new ATOM 0 HE22 GLN A 41 38.426 27.376 16.958 1.00 0.00 H new ATOM 641 N ARG A 42 33.229 30.685 21.358 1.00 0.00 N ATOM 642 CA ARG A 42 31.879 30.506 21.891 1.00 0.00 C ATOM 643 C ARG A 42 30.856 30.696 20.783 1.00 0.00 C ATOM 644 O ARG A 42 30.805 31.746 20.144 1.00 0.00 O ATOM 645 CB ARG A 42 31.611 31.514 23.011 1.00 0.00 C ATOM 646 CG ARG A 42 30.248 31.215 23.636 1.00 0.00 C ATOM 647 CD ARG A 42 30.019 32.135 24.836 1.00 0.00 C ATOM 648 NE ARG A 42 28.782 31.770 25.517 1.00 0.00 N ATOM 649 CZ ARG A 42 28.729 30.717 26.324 1.00 0.00 C ATOM 650 NH1 ARG A 42 29.797 29.996 26.529 1.00 0.00 N ATOM 651 NH2 ARG A 42 27.608 30.401 26.911 1.00 0.00 N1+ ATOM 0 H ARG A 42 33.314 31.427 20.663 1.00 0.00 H new ATOM 0 HA ARG A 42 31.795 29.497 22.294 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.393 31.453 23.767 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.629 32.530 22.615 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.459 31.360 22.898 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.202 30.172 23.951 1.00 0.00 H new ATOM 0 HD2 ARG A 42 30.859 32.061 25.527 1.00 0.00 H new ATOM 0 HD3 ARG A 42 29.969 33.172 24.505 1.00 0.00 H new ATOM 0 HE ARG A 42 27.944 32.333 25.371 1.00 0.00 H new ATOM 0 HH11 ARG A 42 30.674 30.241 26.069 1.00 0.00 H new ATOM 0 HH12 ARG A 42 29.755 29.187 27.149 1.00 0.00 H new ATOM 0 HH21 ARG A 42 26.772 30.963 26.750 1.00 0.00 H new ATOM 0 HH22 ARG A 42 27.567 29.592 27.531 1.00 0.00 H new ATOM 665 N LEU A 43 30.042 29.669 20.557 1.00 0.00 N ATOM 666 CA LEU A 43 29.016 29.716 19.516 1.00 0.00 C ATOM 667 C LEU A 43 27.654 29.349 20.093 1.00 0.00 C ATOM 668 O LEU A 43 27.524 28.390 20.852 1.00 0.00 O ATOM 669 CB LEU A 43 29.383 28.747 18.390 1.00 0.00 C ATOM 670 CG LEU A 43 30.740 29.141 17.790 1.00 0.00 C ATOM 671 CD1 LEU A 43 31.191 28.056 16.805 1.00 0.00 C ATOM 672 CD2 LEU A 43 30.626 30.492 17.056 1.00 0.00 C ATOM 0 H LEU A 43 30.072 28.794 21.080 1.00 0.00 H new ATOM 0 HA LEU A 43 28.963 30.730 19.119 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.426 27.728 18.774 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.614 28.764 17.617 1.00 0.00 H new ATOM 0 HG LEU A 43 31.472 29.238 18.592 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.155 28.332 16.376 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.286 27.105 17.329 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.454 27.959 16.008 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.595 30.760 16.635 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.892 30.410 16.254 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.310 31.263 17.759 1.00 0.00 H new ATOM 684 N ILE A 44 26.641 30.126 19.716 1.00 0.00 N ATOM 685 CA ILE A 44 25.272 29.900 20.180 1.00 0.00 C ATOM 686 C ILE A 44 24.299 30.095 19.021 1.00 0.00 C ATOM 687 O ILE A 44 24.355 31.101 18.314 1.00 0.00 O ATOM 688 CB ILE A 44 24.930 30.873 21.319 1.00 0.00 C ATOM 689 CG1 ILE A 44 25.699 30.479 22.586 1.00 0.00 C ATOM 690 CG2 ILE A 44 23.425 30.831 21.615 1.00 0.00 C ATOM 691 CD1 ILE A 44 25.683 31.639 23.582 1.00 0.00 C ATOM 0 H ILE A 44 26.743 30.922 19.087 1.00 0.00 H new ATOM 0 HA ILE A 44 25.188 28.880 20.554 1.00 0.00 H new ATOM 0 HB ILE A 44 25.212 31.881 21.014 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.248 29.595 23.036 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.727 30.219 22.333 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.194 31.524 22.424 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.870 31.118 20.722 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.140 29.821 21.910 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.230 31.355 24.481 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.154 32.512 23.131 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.653 31.878 23.845 1.00 0.00 H new ATOM 703 N PHE A 45 23.408 29.122 18.832 1.00 0.00 N ATOM 704 CA PHE A 45 22.418 29.183 17.755 1.00 0.00 C ATOM 705 C PHE A 45 21.007 29.067 18.324 1.00 0.00 C ATOM 706 O PHE A 45 20.728 28.189 19.141 1.00 0.00 O ATOM 707 CB PHE A 45 22.656 28.038 16.769 1.00 0.00 C ATOM 708 CG PHE A 45 21.650 28.133 15.646 1.00 0.00 C ATOM 709 CD1 PHE A 45 21.740 29.172 14.713 1.00 0.00 C ATOM 710 CD2 PHE A 45 20.627 27.185 15.540 1.00 0.00 C ATOM 711 CE1 PHE A 45 20.809 29.262 13.673 1.00 0.00 C ATOM 712 CE2 PHE A 45 19.695 27.273 14.499 1.00 0.00 C ATOM 713 CZ PHE A 45 19.787 28.313 13.565 1.00 0.00 C ATOM 0 H PHE A 45 23.351 28.283 19.409 1.00 0.00 H new ATOM 0 HA PHE A 45 22.521 30.140 17.243 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.669 28.090 16.371 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.562 27.079 17.278 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.529 29.905 14.796 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.556 26.385 16.262 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.879 30.064 12.953 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.906 26.540 14.416 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.069 28.382 12.761 1.00 0.00 H new ATOM 723 N ALA A 46 20.120 29.953 17.886 1.00 0.00 N ATOM 724 CA ALA A 46 18.739 29.933 18.358 1.00 0.00 C ATOM 725 C ALA A 46 18.684 29.914 19.884 1.00 0.00 C ATOM 726 O ALA A 46 17.665 29.553 20.471 1.00 0.00 O ATOM 727 CB ALA A 46 18.020 28.699 17.806 1.00 0.00 C ATOM 0 H ALA A 46 20.329 30.688 17.211 1.00 0.00 H new ATOM 0 HA ALA A 46 18.244 30.837 18.004 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.990 28.689 18.161 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.028 28.730 16.716 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.530 27.798 18.147 1.00 0.00 H new ATOM 733 N GLY A 47 19.784 30.308 20.521 1.00 0.00 N ATOM 734 CA GLY A 47 19.852 30.337 21.984 1.00 0.00 C ATOM 735 C GLY A 47 20.496 29.068 22.533 1.00 0.00 C ATOM 736 O GLY A 47 20.919 29.028 23.689 1.00 0.00 O ATOM 0 H GLY A 47 20.638 30.611 20.052 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.424 31.207 22.307 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.848 30.445 22.395 1.00 0.00 H new ATOM 740 N LYS A 48 20.573 28.035 21.701 1.00 0.00 N ATOM 741 CA LYS A 48 21.175 26.772 22.122 1.00 0.00 C ATOM 742 C LYS A 48 22.695 26.858 22.047 1.00 0.00 C ATOM 743 O LYS A 48 23.252 27.326 21.054 1.00 0.00 O ATOM 744 CB LYS A 48 20.677 25.627 21.234 1.00 0.00 C ATOM 745 CG LYS A 48 19.203 25.348 21.538 1.00 0.00 C ATOM 746 CD LYS A 48 18.698 24.217 20.638 1.00 0.00 C ATOM 747 CE LYS A 48 17.223 23.946 20.939 1.00 0.00 C ATOM 748 NZ LYS A 48 16.714 22.887 20.021 1.00 0.00 N1+ ATOM 0 H LYS A 48 20.230 28.045 20.740 1.00 0.00 H new ATOM 0 HA LYS A 48 20.882 26.577 23.154 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.799 25.888 20.183 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.272 24.731 21.411 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.083 25.073 22.586 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.611 26.248 21.375 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.822 24.489 19.590 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.286 23.315 20.805 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.104 23.631 21.976 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.642 24.860 20.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.711 22.703 20.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.814 23.204 19.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.262 22.014 20.160 1.00 0.00 H new ATOM 762 N GLN A 49 23.362 26.411 23.109 1.00 0.00 N ATOM 763 CA GLN A 49 24.821 26.449 23.157 1.00 0.00 C ATOM 764 C GLN A 49 25.422 25.220 22.486 1.00 0.00 C ATOM 765 O GLN A 49 25.025 24.090 22.764 1.00 0.00 O ATOM 766 CB GLN A 49 25.294 26.521 24.610 1.00 0.00 C ATOM 767 CG GLN A 49 26.822 26.578 24.641 1.00 0.00 C ATOM 768 CD GLN A 49 27.302 26.899 26.053 1.00 0.00 C ATOM 769 OE1 GLN A 49 26.556 27.471 26.848 1.00 0.00 O ATOM 770 NE2 GLN A 49 28.509 26.560 26.415 1.00 0.00 N ATOM 0 H GLN A 49 22.919 26.021 23.941 1.00 0.00 H new ATOM 0 HA GLN A 49 25.155 27.336 22.619 1.00 0.00 H new ATOM 0 HB2 GLN A 49 24.876 27.402 25.098 1.00 0.00 H new ATOM 0 HB3 GLN A 49 24.940 25.651 25.164 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.237 25.624 24.315 1.00 0.00 H new ATOM 0 HG3 GLN A 49 27.180 27.336 23.945 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.125 26.086 25.755 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.836 26.769 27.358 1.00 0.00 H new ATOM 779 N LEU A 50 26.384 25.456 21.599 1.00 0.00 N ATOM 780 CA LEU A 50 27.043 24.370 20.884 1.00 0.00 C ATOM 781 C LEU A 50 28.197 23.805 21.707 1.00 0.00 C ATOM 782 O LEU A 50 28.855 24.530 22.453 1.00 0.00 O ATOM 783 CB LEU A 50 27.572 24.881 19.542 1.00 0.00 C ATOM 784 CG LEU A 50 26.486 25.706 18.840 1.00 0.00 C ATOM 785 CD1 LEU A 50 26.956 26.084 17.433 1.00 0.00 C ATOM 786 CD2 LEU A 50 25.193 24.885 18.746 1.00 0.00 C ATOM 0 H LEU A 50 26.723 26.387 21.359 1.00 0.00 H new ATOM 0 HA LEU A 50 26.315 23.577 20.713 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.462 25.491 19.699 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.868 24.041 18.913 1.00 0.00 H new ATOM 0 HG LEU A 50 26.297 26.613 19.414 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.183 26.670 16.936 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.870 26.673 17.501 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.150 25.178 16.859 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.424 25.474 18.247 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.380 23.975 18.176 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.855 24.622 19.748 1.00 0.00 H new ATOM 798 N GLU A 51 28.435 22.502 21.563 1.00 0.00 N ATOM 799 CA GLU A 51 29.512 21.829 22.289 1.00 0.00 C ATOM 800 C GLU A 51 30.199 20.805 21.392 1.00 0.00 C ATOM 801 O GLU A 51 29.662 20.415 20.354 1.00 0.00 O ATOM 802 CB GLU A 51 28.952 21.126 23.528 1.00 0.00 C ATOM 803 CG GLU A 51 28.580 22.168 24.585 1.00 0.00 C ATOM 804 CD GLU A 51 28.052 21.474 25.835 1.00 0.00 C ATOM 805 OE1 GLU A 51 27.965 20.257 25.822 1.00 0.00 O1- ATOM 806 OE2 GLU A 51 27.741 22.169 26.788 1.00 0.00 O ATOM 0 H GLU A 51 27.896 21.891 20.950 1.00 0.00 H new ATOM 0 HA GLU A 51 30.241 22.579 22.597 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.075 20.537 23.259 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.691 20.433 23.930 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.452 22.772 24.835 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.825 22.847 24.189 1.00 0.00 H new ATOM 813 N ASP A 52 31.387 20.376 21.797 1.00 0.00 N ATOM 814 CA ASP A 52 32.141 19.399 21.022 1.00 0.00 C ATOM 815 C ASP A 52 31.474 18.027 21.094 1.00 0.00 C ATOM 816 O ASP A 52 30.933 17.644 22.131 1.00 0.00 O ATOM 817 CB ASP A 52 33.573 19.305 21.554 1.00 0.00 C ATOM 818 CG ASP A 52 34.316 20.609 21.285 1.00 0.00 C ATOM 819 OD1 ASP A 52 33.906 21.327 20.388 1.00 0.00 O1- ATOM 820 OD2 ASP A 52 35.284 20.872 21.979 1.00 0.00 O ATOM 0 H ASP A 52 31.847 20.687 22.652 1.00 0.00 H new ATOM 0 HA ASP A 52 32.162 19.724 19.982 1.00 0.00 H new ATOM 0 HB2 ASP A 52 33.559 19.099 22.624 1.00 0.00 H new ATOM 0 HB3 ASP A 52 34.093 18.475 21.076 1.00 0.00 H new ATOM 825 N GLY A 53 31.516 17.293 19.983 1.00 0.00 N ATOM 826 CA GLY A 53 30.914 15.960 19.922 1.00 0.00 C ATOM 827 C GLY A 53 29.491 16.025 19.376 1.00 0.00 C ATOM 828 O GLY A 53 28.746 15.047 19.438 1.00 0.00 O ATOM 0 H GLY A 53 31.959 17.596 19.116 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.521 15.312 19.289 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.905 15.516 20.917 1.00 0.00 H new ATOM 832 N ARG A 54 29.118 17.187 18.839 1.00 0.00 N ATOM 833 CA ARG A 54 27.777 17.383 18.277 1.00 0.00 C ATOM 834 C ARG A 54 27.866 18.027 16.897 1.00 0.00 C ATOM 835 O ARG A 54 28.557 19.027 16.716 1.00 0.00 O ATOM 836 CB ARG A 54 26.955 18.281 19.209 1.00 0.00 C ATOM 837 CG ARG A 54 26.502 17.476 20.429 1.00 0.00 C ATOM 838 CD ARG A 54 25.727 18.386 21.385 1.00 0.00 C ATOM 839 NE ARG A 54 25.256 17.626 22.537 1.00 0.00 N ATOM 840 CZ ARG A 54 26.075 17.321 23.538 1.00 0.00 C ATOM 841 NH1 ARG A 54 27.324 17.697 23.496 1.00 0.00 N ATOM 842 NH2 ARG A 54 25.633 16.646 24.564 1.00 0.00 N1+ ATOM 0 H ARG A 54 29.723 18.006 18.780 1.00 0.00 H new ATOM 0 HA ARG A 54 27.292 16.411 18.181 1.00 0.00 H new ATOM 0 HB2 ARG A 54 27.552 19.136 19.526 1.00 0.00 H new ATOM 0 HB3 ARG A 54 26.088 18.676 18.679 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.874 16.643 20.115 1.00 0.00 H new ATOM 0 HG3 ARG A 54 27.367 17.049 20.937 1.00 0.00 H new ATOM 0 HD2 ARG A 54 26.366 19.204 21.717 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.880 18.834 20.865 1.00 0.00 H new ATOM 0 HE ARG A 54 24.283 17.324 22.575 1.00 0.00 H new ATOM 0 HH11 ARG A 54 27.671 18.225 22.695 1.00 0.00 H new ATOM 0 HH12 ARG A 54 27.953 17.463 24.264 1.00 0.00 H new ATOM 0 HH21 ARG A 54 24.657 16.351 24.599 1.00 0.00 H new ATOM 0 HH22 ARG A 54 26.264 16.413 25.331 1.00 0.00 H new ATOM 856 N THR A 55 27.158 17.447 15.928 1.00 0.00 N ATOM 857 CA THR A 55 27.154 17.971 14.562 1.00 0.00 C ATOM 858 C THR A 55 26.025 18.986 14.387 1.00 0.00 C ATOM 859 O THR A 55 25.233 19.213 15.300 1.00 0.00 O ATOM 860 CB THR A 55 26.970 16.823 13.560 1.00 0.00 C ATOM 861 OG1 THR A 55 25.970 15.936 14.040 1.00 0.00 O ATOM 862 CG2 THR A 55 28.287 16.061 13.388 1.00 0.00 C ATOM 0 H THR A 55 26.581 16.617 16.063 1.00 0.00 H new ATOM 0 HA THR A 55 28.108 18.464 14.377 1.00 0.00 H new ATOM 0 HB THR A 55 26.667 17.233 12.597 1.00 0.00 H new ATOM 0 HG1 THR A 55 25.849 15.203 13.401 1.00 0.00 H new ATOM 0 HG21 THR A 55 28.147 15.248 12.675 1.00 0.00 H new ATOM 0 HG22 THR A 55 29.055 16.740 13.017 1.00 0.00 H new ATOM 0 HG23 THR A 55 28.598 15.651 14.349 1.00 0.00 H new ATOM 870 N LEU A 56 25.959 19.588 13.205 1.00 0.00 N ATOM 871 CA LEU A 56 24.921 20.571 12.915 1.00 0.00 C ATOM 872 C LEU A 56 23.549 19.904 12.907 1.00 0.00 C ATOM 873 O LEU A 56 22.544 20.512 13.277 1.00 0.00 O ATOM 874 CB LEU A 56 25.178 21.204 11.546 1.00 0.00 C ATOM 875 CG LEU A 56 26.546 21.910 11.538 1.00 0.00 C ATOM 876 CD1 LEU A 56 27.017 22.098 10.093 1.00 0.00 C ATOM 877 CD2 LEU A 56 26.438 23.287 12.207 1.00 0.00 C ATOM 0 H LEU A 56 26.607 19.415 12.437 1.00 0.00 H new ATOM 0 HA LEU A 56 24.943 21.339 13.688 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.151 20.438 10.771 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.389 21.920 11.314 1.00 0.00 H new ATOM 0 HG LEU A 56 27.259 21.296 12.088 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.986 22.598 10.088 1.00 0.00 H new ATOM 0 HD12 LEU A 56 27.109 21.125 9.611 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.293 22.705 9.550 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.413 23.775 12.194 1.00 0.00 H new ATOM 0 HD22 LEU A 56 25.718 23.900 11.664 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.106 23.166 13.238 1.00 0.00 H new ATOM 889 N SER A 57 23.524 18.651 12.477 1.00 0.00 N ATOM 890 CA SER A 57 22.278 17.893 12.410 1.00 0.00 C ATOM 891 C SER A 57 21.666 17.717 13.799 1.00 0.00 C ATOM 892 O SER A 57 20.477 17.426 13.926 1.00 0.00 O ATOM 893 CB SER A 57 22.540 16.521 11.786 1.00 0.00 C ATOM 894 OG SER A 57 22.757 16.678 10.390 1.00 0.00 O ATOM 0 H SER A 57 24.349 18.136 12.169 1.00 0.00 H new ATOM 0 HA SER A 57 21.573 18.450 11.792 1.00 0.00 H new ATOM 0 HB2 SER A 57 23.409 16.056 12.252 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.692 15.860 11.963 1.00 0.00 H new ATOM 0 HG SER A 57 22.927 15.802 9.985 1.00 0.00 H new ATOM 900 N ASP A 58 22.476 17.909 14.837 1.00 0.00 N ATOM 901 CA ASP A 58 21.988 17.781 16.209 1.00 0.00 C ATOM 902 C ASP A 58 21.323 19.080 16.648 1.00 0.00 C ATOM 903 O ASP A 58 20.278 19.071 17.297 1.00 0.00 O ATOM 904 CB ASP A 58 23.149 17.458 17.153 1.00 0.00 C ATOM 905 CG ASP A 58 23.608 16.017 16.949 1.00 0.00 C ATOM 906 OD1 ASP A 58 22.845 15.245 16.394 1.00 0.00 O ATOM 907 OD2 ASP A 58 24.718 15.708 17.350 1.00 0.00 O1- ATOM 0 H ASP A 58 23.464 18.151 14.757 1.00 0.00 H new ATOM 0 HA ASP A 58 21.259 16.971 16.247 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.978 18.141 16.969 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.838 17.606 18.187 1.00 0.00 H new ATOM 912 N TYR A 59 21.947 20.196 16.284 1.00 0.00 N ATOM 913 CA TYR A 59 21.426 21.512 16.636 1.00 0.00 C ATOM 914 C TYR A 59 20.338 21.938 15.653 1.00 0.00 C ATOM 915 O TYR A 59 19.793 23.037 15.759 1.00 0.00 O ATOM 916 CB TYR A 59 22.560 22.537 16.607 1.00 0.00 C ATOM 917 CG TYR A 59 23.630 22.142 17.596 1.00 0.00 C ATOM 918 CD1 TYR A 59 23.402 22.290 18.969 1.00 0.00 C ATOM 919 CD2 TYR A 59 24.854 21.633 17.140 1.00 0.00 C ATOM 920 CE1 TYR A 59 24.396 21.932 19.885 1.00 0.00 C ATOM 921 CE2 TYR A 59 25.848 21.277 18.058 1.00 0.00 C ATOM 922 CZ TYR A 59 25.619 21.425 19.430 1.00 0.00 C ATOM 923 OH TYR A 59 26.598 21.078 20.336 1.00 0.00 O ATOM 0 H TYR A 59 22.813 20.215 15.746 1.00 0.00 H new ATOM 0 HA TYR A 59 20.998 21.460 17.637 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.983 22.597 15.604 1.00 0.00 H new ATOM 0 HB3 TYR A 59 22.174 23.527 16.850 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.459 22.681 19.321 1.00 0.00 H new ATOM 0 HD2 TYR A 59 25.030 21.516 16.081 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.220 22.047 20.944 1.00 0.00 H new ATOM 0 HE2 TYR A 59 26.792 20.888 17.707 1.00 0.00 H new ATOM 0 HH TYR A 59 26.277 21.249 21.246 1.00 0.00 H new ATOM 933 N ASN A 60 20.038 21.066 14.698 1.00 0.00 N ATOM 934 CA ASN A 60 19.020 21.359 13.693 1.00 0.00 C ATOM 935 C ASN A 60 19.390 22.615 12.910 1.00 0.00 C ATOM 936 O ASN A 60 18.524 23.300 12.368 1.00 0.00 O ATOM 937 CB ASN A 60 17.656 21.549 14.362 1.00 0.00 C ATOM 938 CG ASN A 60 17.349 20.354 15.257 1.00 0.00 C ATOM 939 OD1 ASN A 60 17.440 19.209 14.818 1.00 0.00 O ATOM 940 ND2 ASN A 60 16.988 20.556 16.494 1.00 0.00 N ATOM 0 H ASN A 60 20.482 20.153 14.597 1.00 0.00 H new ATOM 0 HA ASN A 60 18.965 20.517 13.003 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.654 22.466 14.951 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.880 21.656 13.604 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.780 19.763 17.101 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.914 21.507 16.855 1.00 0.00 H new ATOM 947 N ILE A 61 20.687 22.905 12.853 1.00 0.00 N ATOM 948 CA ILE A 61 21.174 24.074 12.133 1.00 0.00 C ATOM 949 C ILE A 61 21.101 23.840 10.627 1.00 0.00 C ATOM 950 O ILE A 61 21.567 22.820 10.121 1.00 0.00 O ATOM 951 CB ILE A 61 22.618 24.370 12.563 1.00 0.00 C ATOM 952 CG1 ILE A 61 22.604 24.969 13.971 1.00 0.00 C ATOM 953 CG2 ILE A 61 23.268 25.369 11.599 1.00 0.00 C ATOM 954 CD1 ILE A 61 24.019 24.967 14.553 1.00 0.00 C ATOM 0 H ILE A 61 21.417 22.347 13.296 1.00 0.00 H new ATOM 0 HA ILE A 61 20.546 24.932 12.372 1.00 0.00 H new ATOM 0 HB ILE A 61 23.191 23.443 12.551 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.216 25.987 13.938 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.937 24.394 14.613 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.291 25.569 11.917 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.276 24.951 10.592 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.699 26.299 11.601 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.001 25.395 15.555 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.391 23.944 14.602 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.675 25.561 13.917 1.00 0.00 H new ATOM 966 N GLN A 62 20.509 24.800 9.918 1.00 0.00 N ATOM 967 CA GLN A 62 20.364 24.713 8.465 1.00 0.00 C ATOM 968 C GLN A 62 21.230 25.769 7.785 1.00 0.00 C ATOM 969 O GLN A 62 22.241 26.204 8.335 1.00 0.00 O ATOM 970 CB GLN A 62 18.899 24.926 8.083 1.00 0.00 C ATOM 971 CG GLN A 62 18.031 23.917 8.835 1.00 0.00 C ATOM 972 CD GLN A 62 16.558 24.158 8.526 1.00 0.00 C ATOM 973 OE1 GLN A 62 16.194 24.379 7.370 1.00 0.00 O ATOM 974 NE2 GLN A 62 15.685 24.127 9.495 1.00 0.00 N ATOM 0 H GLN A 62 20.121 25.650 10.327 1.00 0.00 H new ATOM 0 HA GLN A 62 20.687 23.726 8.135 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.591 25.942 8.328 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.770 24.804 7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.309 22.903 8.549 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.204 24.005 9.908 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.990 23.944 10.451 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.697 24.286 9.297 1.00 0.00 H new ATOM 983 N LYS A 63 20.830 26.174 6.583 1.00 0.00 N ATOM 984 CA LYS A 63 21.579 27.179 5.835 1.00 0.00 C ATOM 985 C LYS A 63 21.196 28.587 6.287 1.00 0.00 C ATOM 986 O LYS A 63 20.061 28.832 6.697 1.00 0.00 O ATOM 987 CB LYS A 63 21.302 27.021 4.333 1.00 0.00 C ATOM 988 CG LYS A 63 22.437 27.652 3.523 1.00 0.00 C ATOM 989 CD LYS A 63 22.172 27.451 2.030 1.00 0.00 C ATOM 990 CE LYS A 63 23.311 28.072 1.221 1.00 0.00 C ATOM 991 NZ LYS A 63 22.990 27.993 -0.233 1.00 0.00 N1+ ATOM 0 H LYS A 63 19.997 25.825 6.109 1.00 0.00 H new ATOM 0 HA LYS A 63 22.642 27.032 6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.208 25.965 4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.354 27.495 4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.512 28.715 3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.390 27.199 3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 63 22.089 26.388 1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.223 27.910 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 63 23.456 29.111 1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.245 27.549 1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.765 28.415 -0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.872 26.997 -0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 22.108 28.511 -0.423 1.00 0.00 H new ATOM 1005 N GLU A 64 22.152 29.509 6.206 1.00 0.00 N ATOM 1006 CA GLU A 64 21.911 30.892 6.603 1.00 0.00 C ATOM 1007 C GLU A 64 21.546 30.978 8.083 1.00 0.00 C ATOM 1008 O GLU A 64 20.743 31.819 8.487 1.00 0.00 O ATOM 1009 CB GLU A 64 20.784 31.494 5.757 1.00 0.00 C ATOM 1010 CG GLU A 64 20.949 31.060 4.297 1.00 0.00 C ATOM 1011 CD GLU A 64 20.103 31.947 3.389 1.00 0.00 C ATOM 1012 OE1 GLU A 64 19.367 32.767 3.912 1.00 0.00 O ATOM 1013 OE2 GLU A 64 20.207 31.794 2.183 1.00 0.00 O1- ATOM 0 H GLU A 64 23.097 29.324 5.870 1.00 0.00 H new ATOM 0 HA GLU A 64 22.828 31.457 6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.816 31.167 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.803 32.582 5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.998 31.124 4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.649 30.018 4.183 1.00 0.00 H new ATOM 1020 N SER A 65 22.145 30.103 8.888 1.00 0.00 N ATOM 1021 CA SER A 65 21.879 30.091 10.324 1.00 0.00 C ATOM 1022 C SER A 65 22.681 31.191 11.023 1.00 0.00 C ATOM 1023 O SER A 65 23.884 31.326 10.804 1.00 0.00 O ATOM 1024 CB SER A 65 22.238 28.711 10.899 1.00 0.00 C ATOM 1025 OG SER A 65 21.068 27.906 10.936 1.00 0.00 O ATOM 0 H SER A 65 22.812 29.399 8.574 1.00 0.00 H new ATOM 0 HA SER A 65 20.820 30.283 10.496 1.00 0.00 H new ATOM 0 HB2 SER A 65 23.003 28.235 10.286 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.654 28.817 11.901 1.00 0.00 H new ATOM 0 HG SER A 65 20.616 28.026 11.797 1.00 0.00 H new ATOM 1031 N THR A 66 22.002 31.985 11.853 1.00 0.00 N ATOM 1032 CA THR A 66 22.660 33.081 12.566 1.00 0.00 C ATOM 1033 C THR A 66 23.309 32.594 13.858 1.00 0.00 C ATOM 1034 O THR A 66 22.623 32.221 14.808 1.00 0.00 O ATOM 1035 CB THR A 66 21.633 34.176 12.885 1.00 0.00 C ATOM 1036 OG1 THR A 66 21.250 34.827 11.682 1.00 0.00 O ATOM 1037 CG2 THR A 66 22.240 35.200 13.850 1.00 0.00 C ATOM 0 H THR A 66 21.005 31.891 12.047 1.00 0.00 H new ATOM 0 HA THR A 66 23.444 33.482 11.924 1.00 0.00 H new ATOM 0 HB THR A 66 20.759 33.722 13.352 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.593 35.526 11.883 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.504 35.973 14.070 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.530 34.701 14.775 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.118 35.655 13.392 1.00 0.00 H new ATOM 1045 N LEU A 67 24.638 32.631 13.889 1.00 0.00 N ATOM 1046 CA LEU A 67 25.393 32.214 15.069 1.00 0.00 C ATOM 1047 C LEU A 67 25.668 33.428 15.957 1.00 0.00 C ATOM 1048 O LEU A 67 25.054 34.480 15.785 1.00 0.00 O ATOM 1049 CB LEU A 67 26.725 31.588 14.644 1.00 0.00 C ATOM 1050 CG LEU A 67 26.500 30.255 13.904 1.00 0.00 C ATOM 1051 CD1 LEU A 67 25.833 29.231 14.838 1.00 0.00 C ATOM 1052 CD2 LEU A 67 25.617 30.476 12.659 1.00 0.00 C ATOM 0 H LEU A 67 25.216 32.946 13.110 1.00 0.00 H new ATOM 0 HA LEU A 67 24.809 31.478 15.622 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.266 32.280 13.998 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.348 31.419 15.522 1.00 0.00 H new ATOM 0 HG LEU A 67 27.469 29.869 13.588 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.680 28.295 14.301 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.474 29.054 15.701 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.871 29.618 15.174 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.467 29.526 12.146 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.652 30.880 12.965 1.00 0.00 H new ATOM 0 HD23 LEU A 67 26.108 31.178 11.985 1.00 0.00 H new ATOM 1064 N HIS A 68 26.600 33.282 16.903 1.00 0.00 N ATOM 1065 CA HIS A 68 26.946 34.385 17.806 1.00 0.00 C ATOM 1066 C HIS A 68 28.425 34.346 18.180 1.00 0.00 C ATOM 1067 O HIS A 68 28.859 33.484 18.943 1.00 0.00 O ATOM 1068 CB HIS A 68 26.112 34.296 19.084 1.00 0.00 C ATOM 1069 CG HIS A 68 24.652 34.431 18.750 1.00 0.00 C ATOM 1070 ND1 HIS A 68 23.698 33.543 19.224 1.00 0.00 N ATOM 1071 CD2 HIS A 68 23.967 35.349 17.994 1.00 0.00 C ATOM 1072 CE1 HIS A 68 22.503 33.942 18.752 1.00 0.00 C ATOM 1073 NE2 HIS A 68 22.610 35.038 17.997 1.00 0.00 N ATOM 0 H HIS A 68 27.124 32.421 17.063 1.00 0.00 H new ATOM 0 HA HIS A 68 26.736 35.319 17.286 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.294 33.344 19.582 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.410 35.081 19.779 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.413 36.185 17.476 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.571 33.437 18.959 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.859 35.540 17.524 1.00 0.00 H new ATOM 1081 N ILE A 69 29.196 35.296 17.650 1.00 0.00 N ATOM 1082 CA ILE A 69 30.626 35.371 17.947 1.00 0.00 C ATOM 1083 C ILE A 69 30.862 36.268 19.160 1.00 0.00 C ATOM 1084 O ILE A 69 30.558 37.461 19.134 1.00 0.00 O ATOM 1085 CB ILE A 69 31.383 35.922 16.735 1.00 0.00 C ATOM 1086 CG1 ILE A 69 31.289 34.917 15.584 1.00 0.00 C ATOM 1087 CG2 ILE A 69 32.852 36.143 17.105 1.00 0.00 C ATOM 1088 CD1 ILE A 69 31.808 35.558 14.297 1.00 0.00 C ATOM 0 H ILE A 69 28.857 36.020 17.017 1.00 0.00 H new ATOM 0 HA ILE A 69 30.994 34.370 18.171 1.00 0.00 H new ATOM 0 HB ILE A 69 30.943 36.871 16.429 1.00 0.00 H new ATOM 0 HG12 ILE A 69 31.871 34.026 15.818 1.00 0.00 H new ATOM 0 HG13 ILE A 69 30.256 34.597 15.451 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.390 36.535 16.242 1.00 0.00 H new ATOM 0 HG22 ILE A 69 32.917 36.856 17.927 1.00 0.00 H new ATOM 0 HG23 ILE A 69 33.297 35.196 17.410 1.00 0.00 H new ATOM 0 HD11 ILE A 69 31.740 34.840 13.480 1.00 0.00 H new ATOM 0 HD12 ILE A 69 31.207 36.436 14.060 1.00 0.00 H new ATOM 0 HD13 ILE A 69 32.848 35.856 14.432 1.00 0.00 H new ATOM 1100 N VAL A 70 31.387 35.674 20.233 1.00 0.00 N ATOM 1101 CA VAL A 70 31.645 36.408 21.477 1.00 0.00 C ATOM 1102 C VAL A 70 33.136 36.426 21.818 1.00 0.00 C ATOM 1103 O VAL A 70 33.833 35.425 21.658 1.00 0.00 O ATOM 1104 CB VAL A 70 30.868 35.747 22.621 1.00 0.00 C ATOM 1105 CG1 VAL A 70 30.731 36.725 23.792 1.00 0.00 C ATOM 1106 CG2 VAL A 70 29.476 35.349 22.124 1.00 0.00 C ATOM 0 H VAL A 70 31.642 34.687 20.267 1.00 0.00 H new ATOM 0 HA VAL A 70 31.318 37.439 21.341 1.00 0.00 H new ATOM 0 HB VAL A 70 31.406 34.861 22.957 1.00 0.00 H new ATOM 0 HG11 VAL A 70 30.178 36.248 24.601 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.722 37.008 24.147 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.196 37.615 23.462 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.921 34.878 22.935 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.942 36.238 21.787 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.572 34.647 21.296 1.00 0.00 H new ATOM 1116 N TRP A 71 33.609 37.575 22.305 1.00 0.00 N ATOM 1117 CA TRP A 71 35.014 37.739 22.693 1.00 0.00 C ATOM 1118 C TRP A 71 35.081 38.296 24.118 1.00 0.00 C ATOM 1119 O TRP A 71 34.381 39.252 24.451 1.00 0.00 O ATOM 1120 CB TRP A 71 35.721 38.701 21.710 1.00 0.00 C ATOM 1121 CG TRP A 71 37.152 38.295 21.483 1.00 0.00 C ATOM 1122 CD1 TRP A 71 37.947 37.668 22.386 1.00 0.00 C ATOM 1123 CD2 TRP A 71 37.968 38.486 20.290 1.00 0.00 C ATOM 1124 NE1 TRP A 71 39.191 37.459 21.818 1.00 0.00 N ATOM 1125 CE2 TRP A 71 39.254 37.947 20.530 1.00 0.00 C ATOM 1126 CE3 TRP A 71 37.719 39.068 19.035 1.00 0.00 C ATOM 1127 CZ2 TRP A 71 40.257 37.982 19.561 1.00 0.00 C ATOM 1128 CZ3 TRP A 71 38.727 39.107 18.056 1.00 0.00 C ATOM 1129 CH2 TRP A 71 39.993 38.565 18.319 1.00 0.00 C ATOM 0 H TRP A 71 33.038 38.409 22.441 1.00 0.00 H new ATOM 0 HA TRP A 71 35.519 36.774 22.660 1.00 0.00 H new ATOM 0 HB2 TRP A 71 35.188 38.710 20.759 1.00 0.00 H new ATOM 0 HB3 TRP A 71 35.687 39.717 22.104 1.00 0.00 H new ATOM 0 HD1 TRP A 71 37.656 37.379 23.385 1.00 0.00 H new ATOM 0 HE1 TRP A 71 39.967 37.000 22.294 1.00 0.00 H new ATOM 0 HE3 TRP A 71 36.747 39.488 18.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 41.230 37.562 19.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 38.525 39.557 17.095 1.00 0.00 H new ATOM 0 HH2 TRP A 71 40.763 38.598 17.563 1.00 0.00 H new ATOM 1140 N ARG A 72 35.916 37.689 24.950 1.00 0.00 N ATOM 1141 CA ARG A 72 36.058 38.125 26.333 1.00 0.00 C ATOM 1142 C ARG A 72 36.559 39.565 26.414 1.00 0.00 C ATOM 1143 O ARG A 72 36.005 40.381 27.152 1.00 0.00 O ATOM 1144 CB ARG A 72 37.039 37.208 27.059 1.00 0.00 C ATOM 1145 CG ARG A 72 36.953 37.462 28.567 1.00 0.00 C ATOM 1146 CD ARG A 72 37.839 36.460 29.306 1.00 0.00 C ATOM 1147 NE ARG A 72 37.386 35.099 29.047 1.00 0.00 N ATOM 1148 CZ ARG A 72 38.017 34.053 29.568 1.00 0.00 C ATOM 1149 NH1 ARG A 72 39.053 34.235 30.343 1.00 0.00 N ATOM 1150 NH2 ARG A 72 37.602 32.843 29.308 1.00 0.00 N1+ ATOM 0 H ARG A 72 36.504 36.896 24.693 1.00 0.00 H new ATOM 0 HA ARG A 72 35.077 38.076 26.805 1.00 0.00 H new ATOM 0 HB2 ARG A 72 36.808 36.165 26.841 1.00 0.00 H new ATOM 0 HB3 ARG A 72 38.054 37.391 26.706 1.00 0.00 H new ATOM 0 HG2 ARG A 72 37.270 38.480 28.793 1.00 0.00 H new ATOM 0 HG3 ARG A 72 35.921 37.368 28.904 1.00 0.00 H new ATOM 0 HD2 ARG A 72 38.874 36.573 28.985 1.00 0.00 H new ATOM 0 HD3 ARG A 72 37.813 36.662 30.377 1.00 0.00 H new ATOM 0 HE ARG A 72 36.569 34.947 28.455 1.00 0.00 H new ATOM 0 HH11 ARG A 72 39.377 35.180 30.548 1.00 0.00 H new ATOM 0 HH12 ARG A 72 39.538 33.432 30.743 1.00 0.00 H new ATOM 0 HH21 ARG A 72 36.792 32.700 28.704 1.00 0.00 H new ATOM 0 HH22 ARG A 72 38.087 32.040 29.709 1.00 0.00 H new ATOM 1164 N LEU A 73 37.613 39.873 25.661 1.00 0.00 N ATOM 1165 CA LEU A 73 38.175 41.221 25.672 1.00 0.00 C ATOM 1166 C LEU A 73 37.237 42.196 24.973 1.00 0.00 C ATOM 1167 O LEU A 73 36.662 41.879 23.931 1.00 0.00 O ATOM 1168 CB LEU A 73 39.554 41.227 24.988 1.00 0.00 C ATOM 1169 CG LEU A 73 39.436 40.780 23.502 1.00 0.00 C ATOM 1170 CD1 LEU A 73 39.445 42.001 22.569 1.00 0.00 C ATOM 1171 CD2 LEU A 73 40.622 39.880 23.128 1.00 0.00 C ATOM 0 H LEU A 73 38.090 39.216 25.043 1.00 0.00 H new ATOM 0 HA LEU A 73 38.294 41.538 26.708 1.00 0.00 H new ATOM 0 HB2 LEU A 73 39.986 42.227 25.039 1.00 0.00 H new ATOM 0 HB3 LEU A 73 40.232 40.560 25.520 1.00 0.00 H new ATOM 0 HG LEU A 73 38.498 40.236 23.388 1.00 0.00 H new ATOM 0 HD11 LEU A 73 39.362 41.669 21.534 1.00 0.00 H new ATOM 0 HD12 LEU A 73 38.603 42.650 22.811 1.00 0.00 H new ATOM 0 HD13 LEU A 73 40.377 42.552 22.699 1.00 0.00 H new ATOM 0 HD21 LEU A 73 40.531 39.572 22.086 1.00 0.00 H new ATOM 0 HD22 LEU A 73 41.553 40.430 23.264 1.00 0.00 H new ATOM 0 HD23 LEU A 73 40.625 38.998 23.768 1.00 0.00 H new ATOM 1183 N ARG A 74 37.079 43.380 25.559 1.00 0.00 N ATOM 1184 CA ARG A 74 36.199 44.401 24.995 1.00 0.00 C ATOM 1185 C ARG A 74 36.693 45.797 25.357 1.00 0.00 C ATOM 1186 O ARG A 74 37.218 46.017 26.448 1.00 0.00 O ATOM 1187 CB ARG A 74 34.779 44.215 25.534 1.00 0.00 C ATOM 1188 CG ARG A 74 34.807 44.264 27.064 1.00 0.00 C ATOM 1189 CD ARG A 74 33.433 43.888 27.621 1.00 0.00 C ATOM 1190 NE ARG A 74 32.434 44.870 27.215 1.00 0.00 N ATOM 1191 CZ ARG A 74 31.279 44.987 27.865 1.00 0.00 C ATOM 1192 NH1 ARG A 74 31.028 44.228 28.896 1.00 0.00 N ATOM 1193 NH2 ARG A 74 30.396 45.865 27.474 1.00 0.00 N1+ ATOM 0 H ARG A 74 37.547 43.656 26.422 1.00 0.00 H new ATOM 0 HA ARG A 74 36.201 44.295 23.910 1.00 0.00 H new ATOM 0 HB2 ARG A 74 34.125 44.996 25.146 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.372 43.262 25.197 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.564 43.578 27.445 1.00 0.00 H new ATOM 0 HG3 ARG A 74 35.084 45.263 27.400 1.00 0.00 H new ATOM 0 HD2 ARG A 74 33.147 42.899 27.263 1.00 0.00 H new ATOM 0 HD3 ARG A 74 33.477 43.833 28.709 1.00 0.00 H new ATOM 0 HE ARG A 74 32.624 45.478 26.418 1.00 0.00 H new ATOM 0 HH11 ARG A 74 31.718 43.543 29.205 1.00 0.00 H new ATOM 0 HH12 ARG A 74 30.142 44.319 29.393 1.00 0.00 H new ATOM 0 HH21 ARG A 74 30.591 46.462 26.670 1.00 0.00 H new ATOM 0 HH22 ARG A 74 29.511 45.955 27.972 1.00 0.00 H new ATOM 1207 N GLY A 75 36.512 46.739 24.437 1.00 0.00 N ATOM 1208 CA GLY A 75 36.933 48.118 24.670 1.00 0.00 C ATOM 1209 C GLY A 75 35.839 48.898 25.390 1.00 0.00 C ATOM 1210 O GLY A 75 36.022 50.064 25.744 1.00 0.00 O ATOM 0 H GLY A 75 36.079 46.575 23.528 1.00 0.00 H new ATOM 0 HA2 GLY A 75 37.847 48.130 25.264 1.00 0.00 H new ATOM 0 HA3 GLY A 75 37.165 48.599 23.720 1.00 0.00 H new ATOM 1214 N GLY A 76 34.701 48.245 25.603 1.00 0.00 N ATOM 1215 CA GLY A 76 33.580 48.884 26.283 1.00 0.00 C ATOM 1216 C GLY A 76 32.921 49.928 25.389 1.00 0.00 C ATOM 1217 O GLY A 76 31.721 49.833 25.183 1.00 0.00 O ATOM 1218 OXT GLY A 76 33.624 50.809 24.924 1.00 0.00 O ATOM 0 H GLY A 76 34.531 47.281 25.317 1.00 0.00 H new ATOM 0 HA2 GLY A 76 32.846 48.130 26.569 1.00 0.00 H new ATOM 0 HA3 GLY A 76 33.928 49.355 27.202 1.00 0.00 H new TER 1222 GLY A 76