USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0.677 (180deg=0.663) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -59:sc= 0.0152 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 131:sc= -0.0722 (180deg=-0.522) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -92:sc= 0.153 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 25 ASN : amide:sc= -2.14 K(o=-2.1,f=-5.1!) USER MOD Single : A 27 LYS NZ :NH3+ -113:sc= 0.116 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.0562 (180deg=-0.582) USER MOD Single : A 31 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 146:sc= -0.0415 (180deg=-0.526) USER MOD Single : A 40 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.17) USER MOD Single : A 41 GLN : amide:sc= -0.0548 K(o=-0.055,f=-0.91) USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= -0.088 (180deg=-0.701) USER MOD Single : A 49 GLN :FLIP amide:sc= -4.89! C(o=-5.8!,f=-4.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.435 USER MOD Single : A 60 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.9!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.0027 (180deg=-0.141) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 68 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.473 25.479 0.770 1.00 0.00 N ATOM 2 CA MET A 1 29.272 25.767 1.605 1.00 0.00 C ATOM 3 C MET A 1 29.462 27.103 2.318 1.00 0.00 C ATOM 4 O MET A 1 30.532 27.707 2.248 1.00 0.00 O ATOM 5 CB MET A 1 29.084 24.641 2.630 1.00 0.00 C ATOM 6 CG MET A 1 27.800 24.876 3.437 1.00 0.00 C ATOM 7 SD MET A 1 27.214 23.299 4.106 1.00 0.00 S ATOM 8 CE MET A 1 28.263 23.276 5.581 1.00 0.00 C ATOM 0 H1 MET A 1 30.319 24.603 0.230 1.00 0.00 H new ATOM 0 H2 MET A 1 30.635 26.267 0.112 1.00 0.00 H new ATOM 0 H3 MET A 1 31.304 25.365 1.385 1.00 0.00 H new ATOM 0 HA MET A 1 28.385 25.824 0.974 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.032 23.679 2.120 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.943 24.601 3.300 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.990 25.579 4.248 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.034 25.321 2.802 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.064 22.371 6.155 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.311 23.293 5.282 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.046 24.150 6.195 1.00 0.00 H new ATOM 20 N GLN A 2 28.417 27.552 3.013 1.00 0.00 N ATOM 21 CA GLN A 2 28.471 28.814 3.746 1.00 0.00 C ATOM 22 C GLN A 2 27.659 28.723 5.036 1.00 0.00 C ATOM 23 O GLN A 2 26.651 28.023 5.101 1.00 0.00 O ATOM 24 CB GLN A 2 27.922 29.942 2.872 1.00 0.00 C ATOM 25 CG GLN A 2 26.538 29.554 2.345 1.00 0.00 C ATOM 26 CD GLN A 2 25.894 30.743 1.639 1.00 0.00 C ATOM 27 OE1 GLN A 2 25.174 31.522 2.265 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.114 30.932 0.367 1.00 0.00 N ATOM 0 H GLN A 2 27.526 27.061 3.083 1.00 0.00 H new ATOM 0 HA GLN A 2 29.510 29.022 4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 2 27.857 30.865 3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 2 28.599 30.133 2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.625 28.715 1.655 1.00 0.00 H new ATOM 0 HG3 GLN A 2 25.906 29.224 3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.711 30.285 -0.149 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.689 31.726 -0.111 1.00 0.00 H new ATOM 37 N ILE A 3 28.115 29.443 6.058 1.00 0.00 N ATOM 38 CA ILE A 3 27.435 29.453 7.352 1.00 0.00 C ATOM 39 C ILE A 3 27.446 30.853 7.960 1.00 0.00 C ATOM 40 O ILE A 3 28.396 31.612 7.786 1.00 0.00 O ATOM 41 CB ILE A 3 28.114 28.476 8.311 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.571 28.896 8.554 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.092 27.068 7.713 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.192 27.999 9.624 1.00 0.00 C ATOM 0 H ILE A 3 28.951 30.026 6.016 1.00 0.00 H new ATOM 0 HA ILE A 3 26.401 29.147 7.193 1.00 0.00 H new ATOM 0 HB ILE A 3 27.574 28.484 9.258 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.141 28.822 7.628 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.612 29.938 8.871 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.577 26.374 8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.060 26.757 7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.624 27.068 6.761 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.226 28.299 9.795 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.628 28.096 10.552 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.165 26.962 9.290 1.00 0.00 H new ATOM 56 N PHE A 4 26.375 31.185 8.672 1.00 0.00 N ATOM 57 CA PHE A 4 26.247 32.498 9.308 1.00 0.00 C ATOM 58 C PHE A 4 26.676 32.426 10.767 1.00 0.00 C ATOM 59 O PHE A 4 26.180 31.584 11.516 1.00 0.00 O ATOM 60 CB PHE A 4 24.793 32.966 9.234 1.00 0.00 C ATOM 61 CG PHE A 4 24.449 33.342 7.812 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.035 32.355 6.909 1.00 0.00 C ATOM 63 CD2 PHE A 4 24.531 34.678 7.400 1.00 0.00 C ATOM 64 CE1 PHE A 4 23.707 32.702 5.593 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.206 35.025 6.083 1.00 0.00 C ATOM 66 CZ PHE A 4 23.790 34.037 5.181 1.00 0.00 C ATOM 0 H PHE A 4 25.580 30.565 8.825 1.00 0.00 H new ATOM 0 HA PHE A 4 26.890 33.203 8.782 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.129 32.175 9.582 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.643 33.821 9.893 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.969 31.325 7.228 1.00 0.00 H new ATOM 0 HD2 PHE A 4 24.845 35.440 8.098 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.390 31.940 4.896 1.00 0.00 H new ATOM 0 HE2 PHE A 4 24.276 36.054 5.763 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.533 34.306 4.167 1.00 0.00 H new ATOM 76 N VAL A 5 27.583 33.318 11.181 1.00 0.00 N ATOM 77 CA VAL A 5 28.053 33.345 12.569 1.00 0.00 C ATOM 78 C VAL A 5 27.589 34.618 13.257 1.00 0.00 C ATOM 79 O VAL A 5 27.987 35.727 12.896 1.00 0.00 O ATOM 80 CB VAL A 5 29.581 33.252 12.612 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.082 33.560 14.030 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.995 31.831 12.239 1.00 0.00 C ATOM 0 H VAL A 5 28.003 34.026 10.579 1.00 0.00 H new ATOM 0 HA VAL A 5 27.633 32.488 13.096 1.00 0.00 H new ATOM 0 HB VAL A 5 30.010 33.970 11.913 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.170 33.492 14.054 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.775 34.567 14.314 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.658 32.840 14.730 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.082 31.750 12.265 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.561 31.127 12.949 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.638 31.600 11.235 1.00 0.00 H new ATOM 92 N LYS A 6 26.736 34.433 14.243 1.00 0.00 N ATOM 93 CA LYS A 6 26.186 35.550 15.000 1.00 0.00 C ATOM 94 C LYS A 6 27.065 35.869 16.211 1.00 0.00 C ATOM 95 O LYS A 6 27.082 35.123 17.190 1.00 0.00 O ATOM 96 CB LYS A 6 24.780 35.169 15.452 1.00 0.00 C ATOM 97 CG LYS A 6 23.998 36.404 15.884 1.00 0.00 C ATOM 98 CD LYS A 6 22.566 35.974 16.219 1.00 0.00 C ATOM 99 CE LYS A 6 21.792 37.144 16.824 1.00 0.00 C ATOM 100 NZ LYS A 6 20.428 36.683 17.213 1.00 0.00 N ATOM 0 H LYS A 6 26.404 33.517 14.544 1.00 0.00 H new ATOM 0 HA LYS A 6 26.153 36.441 14.373 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.255 34.667 14.639 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.838 34.462 16.279 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.468 36.867 16.752 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.994 37.149 15.088 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.063 35.623 15.318 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.584 35.139 16.919 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.319 37.532 17.695 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.721 37.960 16.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.898 37.477 17.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.927 36.332 16.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.507 35.918 17.913 1.00 0.00 H new ATOM 114 N THR A 7 27.797 36.980 16.135 1.00 0.00 N ATOM 115 CA THR A 7 28.678 37.382 17.232 1.00 0.00 C ATOM 116 C THR A 7 27.853 37.886 18.412 1.00 0.00 C ATOM 117 O THR A 7 26.649 38.105 18.279 1.00 0.00 O ATOM 118 CB THR A 7 29.638 38.482 16.767 1.00 0.00 C ATOM 119 OG1 THR A 7 28.890 39.619 16.360 1.00 0.00 O ATOM 120 CG2 THR A 7 30.484 37.971 15.598 1.00 0.00 C ATOM 0 H THR A 7 27.799 37.612 15.335 1.00 0.00 H new ATOM 0 HA THR A 7 29.258 36.514 17.546 1.00 0.00 H new ATOM 0 HB THR A 7 30.299 38.759 17.589 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.286 39.369 15.630 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.165 38.757 15.271 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.059 37.102 15.918 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.831 37.690 14.772 1.00 0.00 H new ATOM 128 N LEU A 8 28.487 38.065 19.573 1.00 0.00 N ATOM 129 CA LEU A 8 27.766 38.536 20.749 1.00 0.00 C ATOM 130 C LEU A 8 27.459 40.029 20.642 1.00 0.00 C ATOM 131 O LEU A 8 26.436 40.494 21.141 1.00 0.00 O ATOM 132 CB LEU A 8 28.606 38.268 22.019 1.00 0.00 C ATOM 133 CG LEU A 8 27.685 37.858 23.184 1.00 0.00 C ATOM 134 CD1 LEU A 8 28.517 37.615 24.444 1.00 0.00 C ATOM 135 CD2 LEU A 8 26.663 38.974 23.454 1.00 0.00 C ATOM 0 H LEU A 8 29.482 37.893 19.720 1.00 0.00 H new ATOM 0 HA LEU A 8 26.822 37.994 20.811 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.333 37.479 21.824 1.00 0.00 H new ATOM 0 HB3 LEU A 8 29.170 39.162 22.287 1.00 0.00 H new ATOM 0 HG LEU A 8 27.160 36.941 22.916 1.00 0.00 H new ATOM 0 HD11 LEU A 8 27.860 37.325 25.264 1.00 0.00 H new ATOM 0 HD12 LEU A 8 29.236 36.818 24.257 1.00 0.00 H new ATOM 0 HD13 LEU A 8 29.049 38.528 24.711 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.013 38.681 24.279 1.00 0.00 H new ATOM 0 HD22 LEU A 8 27.188 39.893 23.715 1.00 0.00 H new ATOM 0 HD23 LEU A 8 26.062 39.141 22.560 1.00 0.00 H new ATOM 147 N THR A 9 28.354 40.776 20.007 1.00 0.00 N ATOM 148 CA THR A 9 28.155 42.213 19.872 1.00 0.00 C ATOM 149 C THR A 9 26.997 42.501 18.927 1.00 0.00 C ATOM 150 O THR A 9 26.556 43.641 18.799 1.00 0.00 O ATOM 151 CB THR A 9 29.429 42.877 19.338 1.00 0.00 C ATOM 152 OG1 THR A 9 30.522 42.556 20.187 1.00 0.00 O ATOM 153 CG2 THR A 9 29.241 44.396 19.296 1.00 0.00 C ATOM 0 H THR A 9 29.211 40.418 19.584 1.00 0.00 H new ATOM 0 HA THR A 9 27.923 42.621 20.856 1.00 0.00 H new ATOM 0 HB THR A 9 29.631 42.512 18.331 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.337 42.979 19.845 1.00 0.00 H new ATOM 0 HG21 THR A 9 30.149 44.865 18.916 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.405 44.641 18.641 1.00 0.00 H new ATOM 0 HG23 THR A 9 29.036 44.765 20.301 1.00 0.00 H new ATOM 161 N GLY A 10 26.499 41.459 18.269 1.00 0.00 N ATOM 162 CA GLY A 10 25.384 41.615 17.340 1.00 0.00 C ATOM 163 C GLY A 10 25.889 41.815 15.916 1.00 0.00 C ATOM 164 O GLY A 10 25.118 42.160 15.020 1.00 0.00 O ATOM 0 H GLY A 10 26.846 40.504 18.360 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.743 40.734 17.383 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.774 42.468 17.637 1.00 0.00 H new ATOM 168 N LYS A 11 27.182 41.568 15.703 1.00 0.00 N ATOM 169 CA LYS A 11 27.770 41.690 14.371 1.00 0.00 C ATOM 170 C LYS A 11 27.690 40.347 13.658 1.00 0.00 C ATOM 171 O LYS A 11 28.311 39.373 14.083 1.00 0.00 O ATOM 172 CB LYS A 11 29.232 42.136 14.472 1.00 0.00 C ATOM 173 CG LYS A 11 29.795 42.383 13.065 1.00 0.00 C ATOM 174 CD LYS A 11 31.186 43.015 13.170 1.00 0.00 C ATOM 175 CE LYS A 11 31.713 43.332 11.768 1.00 0.00 C ATOM 176 NZ LYS A 11 30.848 44.369 11.137 1.00 0.00 N ATOM 0 H LYS A 11 27.837 41.284 16.431 1.00 0.00 H new ATOM 0 HA LYS A 11 27.215 42.439 13.805 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.305 43.046 15.068 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.821 41.373 14.981 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.852 41.443 12.516 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.128 43.039 12.506 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.138 43.926 13.766 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.868 42.335 13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.742 43.687 11.826 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.721 42.429 11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.444 45.125 10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.288 43.937 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.208 44.769 11.852 1.00 0.00 H new ATOM 190 N THR A 12 26.922 40.296 12.579 1.00 0.00 N ATOM 191 CA THR A 12 26.768 39.061 11.817 1.00 0.00 C ATOM 192 C THR A 12 27.810 38.983 10.706 1.00 0.00 C ATOM 193 O THR A 12 27.885 39.869 9.857 1.00 0.00 O ATOM 194 CB THR A 12 25.370 39.012 11.196 1.00 0.00 C ATOM 195 OG1 THR A 12 24.399 38.947 12.231 1.00 0.00 O ATOM 196 CG2 THR A 12 25.244 37.776 10.296 1.00 0.00 C ATOM 0 H THR A 12 26.398 41.090 12.211 1.00 0.00 H new ATOM 0 HA THR A 12 26.906 38.218 12.493 1.00 0.00 H new ATOM 0 HB THR A 12 25.208 39.908 10.597 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.502 38.917 11.837 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.247 37.746 9.857 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.989 37.827 9.502 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.406 36.876 10.889 1.00 0.00 H new ATOM 204 N ILE A 13 28.607 37.916 10.708 1.00 0.00 N ATOM 205 CA ILE A 13 29.638 37.730 9.680 1.00 0.00 C ATOM 206 C ILE A 13 29.557 36.317 9.122 1.00 0.00 C ATOM 207 O ILE A 13 29.513 35.340 9.870 1.00 0.00 O ATOM 208 CB ILE A 13 31.025 37.965 10.277 1.00 0.00 C ATOM 209 CG1 ILE A 13 32.075 37.973 9.155 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.342 36.848 11.274 1.00 0.00 C ATOM 211 CD1 ILE A 13 33.474 38.103 9.760 1.00 0.00 C ATOM 0 H ILE A 13 28.562 37.171 11.403 1.00 0.00 H new ATOM 0 HA ILE A 13 29.470 38.448 8.878 1.00 0.00 H new ATOM 0 HB ILE A 13 31.044 38.926 10.791 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.005 37.055 8.571 1.00 0.00 H new ATOM 0 HG13 ILE A 13 31.885 38.801 8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.331 37.012 11.702 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.597 36.849 12.070 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.324 35.886 10.761 1.00 0.00 H new ATOM 0 HD11 ILE A 13 34.216 38.108 8.962 1.00 0.00 H new ATOM 0 HD12 ILE A 13 33.541 39.033 10.325 1.00 0.00 H new ATOM 0 HD13 ILE A 13 33.662 37.260 10.425 1.00 0.00 H new ATOM 223 N THR A 14 29.500 36.219 7.803 1.00 0.00 N ATOM 224 CA THR A 14 29.383 34.925 7.139 1.00 0.00 C ATOM 225 C THR A 14 30.745 34.257 6.980 1.00 0.00 C ATOM 226 O THR A 14 31.774 34.921 6.835 1.00 0.00 O ATOM 227 CB THR A 14 28.719 35.103 5.768 1.00 0.00 C ATOM 228 OG1 THR A 14 27.510 35.832 5.931 1.00 0.00 O ATOM 229 CG2 THR A 14 28.406 33.731 5.159 1.00 0.00 C ATOM 0 H THR A 14 29.533 37.018 7.169 1.00 0.00 H new ATOM 0 HA THR A 14 28.764 34.278 7.761 1.00 0.00 H new ATOM 0 HB THR A 14 29.394 35.643 5.104 1.00 0.00 H new ATOM 0 HG1 THR A 14 26.767 35.207 6.063 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.934 33.864 4.185 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.331 33.166 5.040 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.730 33.186 5.818 1.00 0.00 H new ATOM 237 N LEU A 15 30.727 32.927 7.038 1.00 0.00 N ATOM 238 CA LEU A 15 31.939 32.115 6.931 1.00 0.00 C ATOM 239 C LEU A 15 31.809 31.101 5.789 1.00 0.00 C ATOM 240 O LEU A 15 30.792 30.420 5.661 1.00 0.00 O ATOM 241 CB LEU A 15 32.144 31.367 8.275 1.00 0.00 C ATOM 242 CG LEU A 15 33.599 31.478 8.760 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.834 32.860 9.382 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.862 30.396 9.816 1.00 0.00 C ATOM 0 H LEU A 15 29.874 32.382 7.160 1.00 0.00 H new ATOM 0 HA LEU A 15 32.793 32.758 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.474 31.780 9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.878 30.317 8.153 1.00 0.00 H new ATOM 0 HG LEU A 15 34.274 31.343 7.915 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.866 32.934 9.724 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.643 33.632 8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.160 32.998 10.228 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.892 30.470 10.164 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.184 30.537 10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.697 29.412 9.378 1.00 0.00 H new ATOM 256 N GLU A 16 32.861 30.988 4.985 1.00 0.00 N ATOM 257 CA GLU A 16 32.874 30.025 3.881 1.00 0.00 C ATOM 258 C GLU A 16 33.667 28.799 4.316 1.00 0.00 C ATOM 259 O GLU A 16 34.819 28.920 4.736 1.00 0.00 O ATOM 260 CB GLU A 16 33.514 30.643 2.636 1.00 0.00 C ATOM 261 CG GLU A 16 32.581 31.708 2.056 1.00 0.00 C ATOM 262 CD GLU A 16 33.330 32.548 1.028 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.448 32.186 0.697 1.00 0.00 O ATOM 264 OE2 GLU A 16 32.777 33.542 0.587 1.00 0.00 O ATOM 0 H GLU A 16 33.711 31.545 5.073 1.00 0.00 H new ATOM 0 HA GLU A 16 31.851 29.743 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.476 31.088 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.708 29.870 1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.717 31.233 1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.202 32.346 2.854 1.00 0.00 H new ATOM 271 N VAL A 17 33.058 27.621 4.218 1.00 0.00 N ATOM 272 CA VAL A 17 33.739 26.384 4.614 1.00 0.00 C ATOM 273 C VAL A 17 33.161 25.185 3.874 1.00 0.00 C ATOM 274 O VAL A 17 32.207 25.295 3.109 1.00 0.00 O ATOM 275 CB VAL A 17 33.616 26.176 6.138 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.148 26.000 6.543 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.409 24.946 6.601 1.00 0.00 C ATOM 0 H VAL A 17 32.107 27.493 3.873 1.00 0.00 H new ATOM 0 HA VAL A 17 34.793 26.474 4.350 1.00 0.00 H new ATOM 0 HB VAL A 17 34.027 27.064 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.083 25.855 7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.584 26.889 6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.732 25.131 6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.301 24.828 7.679 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.027 24.057 6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.462 25.078 6.354 1.00 0.00 H new ATOM 287 N GLU A 18 33.755 24.040 4.132 1.00 0.00 N ATOM 288 CA GLU A 18 33.320 22.771 3.530 1.00 0.00 C ATOM 289 C GLU A 18 32.458 22.004 4.539 1.00 0.00 C ATOM 290 O GLU A 18 32.688 22.108 5.741 1.00 0.00 O ATOM 291 CB GLU A 18 34.537 21.925 3.142 1.00 0.00 C ATOM 292 CG GLU A 18 35.341 22.653 2.062 1.00 0.00 C ATOM 293 CD GLU A 18 36.631 21.895 1.772 1.00 0.00 C ATOM 294 OE1 GLU A 18 37.428 21.754 2.685 1.00 0.00 O ATOM 295 OE2 GLU A 18 36.802 21.465 0.644 1.00 0.00 O ATOM 0 H GLU A 18 34.552 23.949 4.762 1.00 0.00 H new ATOM 0 HA GLU A 18 32.738 22.980 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.162 21.745 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.214 20.951 2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.748 22.739 1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.571 23.667 2.390 1.00 0.00 H new ATOM 302 N PRO A 19 31.478 21.245 4.106 1.00 0.00 N ATOM 303 CA PRO A 19 30.609 20.482 5.052 1.00 0.00 C ATOM 304 C PRO A 19 31.368 19.346 5.741 1.00 0.00 C ATOM 305 O PRO A 19 30.946 18.853 6.786 1.00 0.00 O ATOM 306 CB PRO A 19 29.480 19.944 4.157 1.00 0.00 C ATOM 307 CG PRO A 19 30.077 19.872 2.786 1.00 0.00 C ATOM 308 CD PRO A 19 31.085 21.023 2.700 1.00 0.00 C ATOM 0 HA PRO A 19 30.242 21.103 5.869 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.143 18.964 4.493 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.612 20.603 4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.567 18.912 2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.307 19.970 2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.942 20.760 2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.638 21.916 2.263 1.00 0.00 H new ATOM 316 N SER A 20 32.485 18.936 5.148 1.00 0.00 N ATOM 317 CA SER A 20 33.295 17.855 5.714 1.00 0.00 C ATOM 318 C SER A 20 34.362 18.416 6.647 1.00 0.00 C ATOM 319 O SER A 20 35.096 17.663 7.291 1.00 0.00 O ATOM 320 CB SER A 20 33.955 17.060 4.586 1.00 0.00 C ATOM 321 OG SER A 20 32.945 16.519 3.742 1.00 0.00 O ATOM 0 H SER A 20 32.851 19.331 4.282 1.00 0.00 H new ATOM 0 HA SER A 20 32.645 17.196 6.289 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.619 17.705 4.011 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.568 16.259 5.000 1.00 0.00 H new ATOM 0 HG SER A 20 33.363 16.010 3.016 1.00 0.00 H new ATOM 327 N ASP A 21 34.444 19.740 6.714 1.00 0.00 N ATOM 328 CA ASP A 21 35.416 20.394 7.577 1.00 0.00 C ATOM 329 C ASP A 21 35.123 20.069 9.035 1.00 0.00 C ATOM 330 O ASP A 21 33.972 19.833 9.409 1.00 0.00 O ATOM 331 CB ASP A 21 35.359 21.910 7.366 1.00 0.00 C ATOM 332 CG ASP A 21 36.676 22.555 7.782 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.489 21.864 8.369 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.849 23.732 7.509 1.00 0.00 O ATOM 0 H ASP A 21 33.851 20.378 6.183 1.00 0.00 H new ATOM 0 HA ASP A 21 36.413 20.031 7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.154 22.130 6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.540 22.334 7.947 1.00 0.00 H new ATOM 339 N THR A 22 36.161 20.078 9.858 1.00 0.00 N ATOM 340 CA THR A 22 36.001 19.801 11.280 1.00 0.00 C ATOM 341 C THR A 22 35.619 21.073 12.032 1.00 0.00 C ATOM 342 O THR A 22 35.666 22.178 11.483 1.00 0.00 O ATOM 343 CB THR A 22 37.299 19.230 11.857 1.00 0.00 C ATOM 344 OG1 THR A 22 38.362 20.140 11.621 1.00 0.00 O ATOM 345 CG2 THR A 22 37.609 17.891 11.186 1.00 0.00 C ATOM 0 H THR A 22 37.119 20.273 9.569 1.00 0.00 H new ATOM 0 HA THR A 22 35.204 19.068 11.400 1.00 0.00 H new ATOM 0 HB THR A 22 37.185 19.078 12.930 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.193 19.776 11.992 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.533 17.484 11.596 1.00 0.00 H new ATOM 0 HG22 THR A 22 36.792 17.194 11.371 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.723 18.040 10.112 1.00 0.00 H new ATOM 353 N ILE A 23 35.280 20.918 13.302 1.00 0.00 N ATOM 354 CA ILE A 23 34.935 22.078 14.113 1.00 0.00 C ATOM 355 C ILE A 23 36.199 22.867 14.440 1.00 0.00 C ATOM 356 O ILE A 23 36.262 24.073 14.210 1.00 0.00 O ATOM 357 CB ILE A 23 34.231 21.638 15.402 1.00 0.00 C ATOM 358 CG1 ILE A 23 33.174 20.576 15.073 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.548 22.838 16.059 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.309 21.035 13.893 1.00 0.00 C ATOM 0 H ILE A 23 35.236 20.022 13.787 1.00 0.00 H new ATOM 0 HA ILE A 23 34.252 22.716 13.552 1.00 0.00 H new ATOM 0 HB ILE A 23 34.971 21.223 16.086 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.661 19.631 14.830 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.546 20.396 15.945 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.050 22.517 16.974 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.294 23.595 16.298 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.812 23.258 15.374 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.563 20.272 13.670 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.808 21.968 14.151 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.940 21.192 13.018 1.00 0.00 H new ATOM 372 N GLU A 24 37.215 22.177 14.955 1.00 0.00 N ATOM 373 CA GLU A 24 38.477 22.833 15.285 1.00 0.00 C ATOM 374 C GLU A 24 38.931 23.694 14.113 1.00 0.00 C ATOM 375 O GLU A 24 39.672 24.663 14.282 1.00 0.00 O ATOM 376 CB GLU A 24 39.549 21.792 15.607 1.00 0.00 C ATOM 377 CG GLU A 24 38.982 20.753 16.574 1.00 0.00 C ATOM 378 CD GLU A 24 38.398 21.443 17.803 1.00 0.00 C ATOM 379 OE1 GLU A 24 37.284 21.930 17.709 1.00 0.00 O ATOM 380 OE2 GLU A 24 39.073 21.471 18.819 1.00 0.00 O ATOM 0 H GLU A 24 37.190 21.176 15.151 1.00 0.00 H new ATOM 0 HA GLU A 24 38.326 23.464 16.161 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.885 21.306 14.691 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.420 22.277 16.048 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.211 20.165 16.077 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.767 20.059 16.876 1.00 0.00 H new ATOM 387 N ASN A 25 38.454 23.345 12.925 1.00 0.00 N ATOM 388 CA ASN A 25 38.792 24.111 11.732 1.00 0.00 C ATOM 389 C ASN A 25 38.008 25.415 11.740 1.00 0.00 C ATOM 390 O ASN A 25 38.589 26.498 11.761 1.00 0.00 O ATOM 391 CB ASN A 25 38.461 23.318 10.467 1.00 0.00 C ATOM 392 CG ASN A 25 39.101 23.986 9.254 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.834 25.156 8.974 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.935 23.310 8.510 1.00 0.00 N ATOM 0 H ASN A 25 37.840 22.547 12.762 1.00 0.00 H new ATOM 0 HA ASN A 25 39.862 24.319 11.736 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.824 22.295 10.563 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.381 23.262 10.335 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.366 23.751 7.697 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.156 22.342 8.742 1.00 0.00 H new ATOM 401 N VAL A 26 36.681 25.303 11.711 1.00 0.00 N ATOM 402 CA VAL A 26 35.828 26.488 11.713 1.00 0.00 C ATOM 403 C VAL A 26 36.267 27.450 12.802 1.00 0.00 C ATOM 404 O VAL A 26 36.054 28.660 12.708 1.00 0.00 O ATOM 405 CB VAL A 26 34.377 26.077 11.948 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.489 27.320 12.021 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.928 25.199 10.797 1.00 0.00 C ATOM 0 H VAL A 26 36.179 24.415 11.686 1.00 0.00 H new ATOM 0 HA VAL A 26 35.914 26.985 10.747 1.00 0.00 H new ATOM 0 HB VAL A 26 34.297 25.531 12.888 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.455 27.019 12.189 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.820 27.956 12.842 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.559 27.872 11.084 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.892 24.898 10.952 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.008 25.755 9.863 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.560 24.312 10.748 1.00 0.00 H new ATOM 417 N LYS A 27 36.898 26.901 13.823 1.00 0.00 N ATOM 418 CA LYS A 27 37.389 27.706 14.929 1.00 0.00 C ATOM 419 C LYS A 27 38.584 28.520 14.472 1.00 0.00 C ATOM 420 O LYS A 27 38.648 29.731 14.684 1.00 0.00 O ATOM 421 CB LYS A 27 37.801 26.800 16.095 1.00 0.00 C ATOM 422 CG LYS A 27 36.559 26.148 16.716 1.00 0.00 C ATOM 423 CD LYS A 27 36.871 25.678 18.138 1.00 0.00 C ATOM 424 CE LYS A 27 35.598 25.129 18.784 1.00 0.00 C ATOM 425 NZ LYS A 27 35.887 24.730 20.190 1.00 0.00 N ATOM 0 H LYS A 27 37.083 25.902 13.911 1.00 0.00 H new ATOM 0 HA LYS A 27 36.596 28.376 15.262 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.489 26.031 15.743 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.332 27.382 16.849 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.734 26.860 16.732 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.239 25.303 16.107 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.642 24.908 18.117 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.263 26.506 18.728 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.812 25.884 18.763 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.231 24.272 18.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.806 23.697 20.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 36.851 25.025 20.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.206 25.188 20.828 1.00 0.00 H new ATOM 439 N ALA A 28 39.524 27.839 13.838 1.00 0.00 N ATOM 440 CA ALA A 28 40.726 28.490 13.342 1.00 0.00 C ATOM 441 C ALA A 28 40.363 29.686 12.463 1.00 0.00 C ATOM 442 O ALA A 28 41.054 30.704 12.473 1.00 0.00 O ATOM 443 CB ALA A 28 41.547 27.482 12.541 1.00 0.00 C ATOM 0 H ALA A 28 39.479 26.837 13.655 1.00 0.00 H new ATOM 0 HA ALA A 28 41.312 28.852 14.187 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.450 27.964 12.166 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.822 26.645 13.183 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.956 27.116 11.701 1.00 0.00 H new ATOM 449 N LYS A 29 39.266 29.562 11.719 1.00 0.00 N ATOM 450 CA LYS A 29 38.824 30.655 10.864 1.00 0.00 C ATOM 451 C LYS A 29 38.401 31.846 11.726 1.00 0.00 C ATOM 452 O LYS A 29 38.995 32.922 11.648 1.00 0.00 O ATOM 453 CB LYS A 29 37.662 30.195 9.974 1.00 0.00 C ATOM 454 CG LYS A 29 38.221 29.501 8.722 1.00 0.00 C ATOM 455 CD LYS A 29 37.139 28.641 8.082 1.00 0.00 C ATOM 456 CE LYS A 29 37.756 27.776 6.980 1.00 0.00 C ATOM 457 NZ LYS A 29 38.573 28.633 6.073 1.00 0.00 N ATOM 0 H LYS A 29 38.677 28.730 11.692 1.00 0.00 H new ATOM 0 HA LYS A 29 39.648 30.962 10.220 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.016 29.511 10.525 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.049 31.049 9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.575 30.246 8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.078 28.883 8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.670 28.008 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.356 29.274 7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.379 26.997 7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.971 27.275 6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.709 28.146 5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.082 29.535 5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.499 28.816 6.509 1.00 0.00 H new ATOM 471 N ILE A 30 37.359 31.649 12.529 1.00 0.00 N ATOM 472 CA ILE A 30 36.850 32.702 13.387 1.00 0.00 C ATOM 473 C ILE A 30 37.975 33.317 14.227 1.00 0.00 C ATOM 474 O ILE A 30 38.004 34.528 14.437 1.00 0.00 O ATOM 475 CB ILE A 30 35.765 32.108 14.296 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.497 31.840 13.472 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.434 33.084 15.424 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.581 30.886 14.243 1.00 0.00 C ATOM 0 H ILE A 30 36.853 30.766 12.600 1.00 0.00 H new ATOM 0 HA ILE A 30 36.427 33.498 12.774 1.00 0.00 H new ATOM 0 HB ILE A 30 36.133 31.175 14.724 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.977 32.776 13.269 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.762 31.407 12.507 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.663 32.653 16.063 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.330 33.275 16.014 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.072 34.021 15.000 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.681 30.695 13.659 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.103 29.946 14.423 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.306 31.337 15.197 1.00 0.00 H new ATOM 490 N GLN A 31 38.886 32.480 14.710 1.00 0.00 N ATOM 491 CA GLN A 31 39.992 32.971 15.529 1.00 0.00 C ATOM 492 C GLN A 31 40.823 33.985 14.749 1.00 0.00 C ATOM 493 O GLN A 31 40.967 35.137 15.155 1.00 0.00 O ATOM 494 CB GLN A 31 40.887 31.804 15.961 1.00 0.00 C ATOM 495 CG GLN A 31 42.020 32.326 16.851 1.00 0.00 C ATOM 496 CD GLN A 31 42.877 31.165 17.342 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.546 31.278 18.369 1.00 0.00 O ATOM 498 NE2 GLN A 31 42.902 30.050 16.664 1.00 0.00 N ATOM 0 H GLN A 31 38.884 31.472 14.553 1.00 0.00 H new ATOM 0 HA GLN A 31 39.576 33.455 16.413 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.299 31.062 16.502 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.300 31.306 15.084 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.635 33.032 16.293 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.605 32.867 17.701 1.00 0.00 H new ATOM 0 HE21 GLN A 31 42.347 29.958 15.813 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.476 29.271 16.985 1.00 0.00 H new ATOM 507 N ASP A 32 41.381 33.529 13.642 1.00 0.00 N ATOM 508 CA ASP A 32 42.222 34.384 12.812 1.00 0.00 C ATOM 509 C ASP A 32 41.547 35.728 12.518 1.00 0.00 C ATOM 510 O ASP A 32 42.224 36.752 12.423 1.00 0.00 O ATOM 511 CB ASP A 32 42.553 33.669 11.499 1.00 0.00 C ATOM 512 CG ASP A 32 43.496 32.500 11.765 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.355 32.639 12.621 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.347 31.482 11.109 1.00 0.00 O ATOM 0 H ASP A 32 41.270 32.576 13.295 1.00 0.00 H new ATOM 0 HA ASP A 32 43.141 34.586 13.363 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.637 33.309 11.031 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.014 34.368 10.801 1.00 0.00 H new ATOM 519 N LYS A 33 40.224 35.725 12.347 1.00 0.00 N ATOM 520 CA LYS A 33 39.501 36.964 12.033 1.00 0.00 C ATOM 521 C LYS A 33 39.159 37.802 13.273 1.00 0.00 C ATOM 522 O LYS A 33 39.222 39.030 13.222 1.00 0.00 O ATOM 523 CB LYS A 33 38.209 36.645 11.289 1.00 0.00 C ATOM 524 CG LYS A 33 38.501 35.768 10.070 1.00 0.00 C ATOM 525 CD LYS A 33 37.179 35.292 9.464 1.00 0.00 C ATOM 526 CE LYS A 33 37.444 34.572 8.139 1.00 0.00 C ATOM 527 NZ LYS A 33 38.414 33.464 8.362 1.00 0.00 N ATOM 0 H LYS A 33 39.637 34.894 12.419 1.00 0.00 H new ATOM 0 HA LYS A 33 40.174 37.555 11.412 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.514 36.134 11.955 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.726 37.569 10.973 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.072 36.330 9.331 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.111 34.912 10.360 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.671 34.621 10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.517 36.142 9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.512 34.178 7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.839 35.273 7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 38.187 32.671 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.378 33.801 8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.355 33.145 9.350 1.00 0.00 H new ATOM 541 N GLU A 34 38.745 37.154 14.371 1.00 0.00 N ATOM 542 CA GLU A 34 38.345 37.889 15.586 1.00 0.00 C ATOM 543 C GLU A 34 39.373 37.786 16.713 1.00 0.00 C ATOM 544 O GLU A 34 39.154 38.325 17.797 1.00 0.00 O ATOM 545 CB GLU A 34 37.004 37.350 16.094 1.00 0.00 C ATOM 546 CG GLU A 34 35.957 37.427 14.982 1.00 0.00 C ATOM 547 CD GLU A 34 34.582 37.068 15.541 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.529 36.286 16.476 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.601 37.580 15.025 1.00 0.00 O ATOM 0 H GLU A 34 38.678 36.139 14.446 1.00 0.00 H new ATOM 0 HA GLU A 34 38.267 38.939 15.305 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.119 36.318 16.426 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.673 37.928 16.957 1.00 0.00 H new ATOM 0 HG2 GLU A 34 35.937 38.431 14.558 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.221 36.745 14.174 1.00 0.00 H new ATOM 556 N GLY A 35 40.506 37.150 16.460 1.00 0.00 N ATOM 557 CA GLY A 35 41.548 37.048 17.480 1.00 0.00 C ATOM 558 C GLY A 35 41.058 36.380 18.768 1.00 0.00 C ATOM 559 O GLY A 35 41.669 36.548 19.823 1.00 0.00 O ATOM 0 H GLY A 35 40.730 36.701 15.572 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.388 36.480 17.079 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.920 38.046 17.713 1.00 0.00 H new ATOM 563 N ILE A 36 39.964 35.622 18.688 1.00 0.00 N ATOM 564 CA ILE A 36 39.423 34.937 19.859 1.00 0.00 C ATOM 565 C ILE A 36 39.963 33.498 19.948 1.00 0.00 C ATOM 566 O ILE A 36 39.598 32.660 19.124 1.00 0.00 O ATOM 567 CB ILE A 36 37.904 34.896 19.741 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.400 36.324 19.546 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.307 34.308 21.020 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.880 36.337 19.532 1.00 0.00 C ATOM 0 H ILE A 36 39.438 35.468 17.828 1.00 0.00 H new ATOM 0 HA ILE A 36 39.724 35.476 20.757 1.00 0.00 H new ATOM 0 HB ILE A 36 37.607 34.275 18.896 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.771 36.963 20.348 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.785 36.731 18.611 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.221 34.279 20.935 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.686 33.297 21.167 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.588 34.928 21.871 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.526 37.358 19.393 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.518 35.713 18.715 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.504 35.949 20.479 1.00 0.00 H new ATOM 582 N PRO A 37 40.799 33.176 20.920 1.00 0.00 N ATOM 583 CA PRO A 37 41.341 31.785 21.071 1.00 0.00 C ATOM 584 C PRO A 37 40.235 30.728 20.945 1.00 0.00 C ATOM 585 O PRO A 37 39.062 31.033 21.147 1.00 0.00 O ATOM 586 CB PRO A 37 41.943 31.794 22.483 1.00 0.00 C ATOM 587 CG PRO A 37 42.362 33.210 22.704 1.00 0.00 C ATOM 588 CD PRO A 37 41.331 34.074 21.968 1.00 0.00 C ATOM 0 HA PRO A 37 42.065 31.529 20.297 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.213 31.476 23.227 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.791 31.113 22.557 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.384 33.449 23.767 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.366 33.385 22.317 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.543 34.415 22.640 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.790 34.964 21.537 1.00 0.00 H new ATOM 596 N PRO A 38 40.580 29.505 20.608 1.00 0.00 N ATOM 597 CA PRO A 38 39.582 28.399 20.444 1.00 0.00 C ATOM 598 C PRO A 38 38.936 27.978 21.767 1.00 0.00 C ATOM 599 O PRO A 38 37.717 27.839 21.852 1.00 0.00 O ATOM 600 CB PRO A 38 40.409 27.256 19.840 1.00 0.00 C ATOM 601 CG PRO A 38 41.791 27.511 20.326 1.00 0.00 C ATOM 602 CD PRO A 38 41.950 29.028 20.347 1.00 0.00 C ATOM 0 HA PRO A 38 38.741 28.702 19.821 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.044 26.283 20.169 1.00 0.00 H new ATOM 0 HB3 PRO A 38 40.362 27.262 18.751 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.941 27.088 21.319 1.00 0.00 H new ATOM 0 HG3 PRO A 38 42.528 27.049 19.669 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.644 29.350 21.124 1.00 0.00 H new ATOM 0 HD3 PRO A 38 42.335 29.406 19.400 1.00 0.00 H new ATOM 610 N ASP A 39 39.756 27.765 22.790 1.00 0.00 N ATOM 611 CA ASP A 39 39.240 27.346 24.089 1.00 0.00 C ATOM 612 C ASP A 39 38.393 28.444 24.719 1.00 0.00 C ATOM 613 O ASP A 39 37.602 28.187 25.626 1.00 0.00 O ATOM 614 CB ASP A 39 40.398 26.994 25.026 1.00 0.00 C ATOM 615 CG ASP A 39 41.246 25.885 24.413 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.671 24.923 23.932 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.459 26.015 24.434 1.00 0.00 O ATOM 0 H ASP A 39 40.769 27.874 22.748 1.00 0.00 H new ATOM 0 HA ASP A 39 38.614 26.467 23.936 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.013 27.876 25.205 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.010 26.674 25.993 1.00 0.00 H new ATOM 622 N GLN A 40 38.587 29.673 24.259 1.00 0.00 N ATOM 623 CA GLN A 40 37.855 30.808 24.814 1.00 0.00 C ATOM 624 C GLN A 40 36.452 30.914 24.229 1.00 0.00 C ATOM 625 O GLN A 40 35.575 31.521 24.837 1.00 0.00 O ATOM 626 CB GLN A 40 38.610 32.111 24.529 1.00 0.00 C ATOM 627 CG GLN A 40 39.845 32.192 25.425 1.00 0.00 C ATOM 628 CD GLN A 40 39.430 32.488 26.863 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.724 31.708 27.768 1.00 0.00 O ATOM 630 NE2 GLN A 40 38.759 33.576 27.130 1.00 0.00 N ATOM 0 H GLN A 40 39.238 29.910 23.510 1.00 0.00 H new ATOM 0 HA GLN A 40 37.772 30.647 25.889 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.905 32.151 23.481 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.960 32.967 24.710 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.397 31.253 25.383 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.516 32.972 25.064 1.00 0.00 H new ATOM 0 HE21 GLN A 40 38.516 34.222 26.379 1.00 0.00 H new ATOM 0 HE22 GLN A 40 38.478 33.780 28.089 1.00 0.00 H new ATOM 639 N GLN A 41 36.239 30.334 23.048 1.00 0.00 N ATOM 640 CA GLN A 41 34.933 30.390 22.393 1.00 0.00 C ATOM 641 C GLN A 41 34.130 29.105 22.599 1.00 0.00 C ATOM 642 O GLN A 41 34.688 28.010 22.651 1.00 0.00 O ATOM 643 CB GLN A 41 35.124 30.629 20.896 1.00 0.00 C ATOM 644 CG GLN A 41 36.133 29.623 20.344 1.00 0.00 C ATOM 645 CD GLN A 41 36.202 29.733 18.823 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.448 29.063 18.118 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.065 30.543 18.273 1.00 0.00 N ATOM 0 H GLN A 41 36.951 29.822 22.527 1.00 0.00 H new ATOM 0 HA GLN A 41 34.373 31.210 22.844 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.171 30.527 20.376 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.475 31.646 20.721 1.00 0.00 H new ATOM 0 HG2 GLN A 41 37.117 29.808 20.775 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.845 28.612 20.631 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.689 31.098 18.859 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.115 30.621 17.257 1.00 0.00 H new ATOM 656 N ARG A 42 32.808 29.264 22.692 1.00 0.00 N ATOM 657 CA ARG A 42 31.883 28.148 22.862 1.00 0.00 C ATOM 658 C ARG A 42 30.884 28.202 21.713 1.00 0.00 C ATOM 659 O ARG A 42 30.201 29.213 21.530 1.00 0.00 O ATOM 660 CB ARG A 42 31.151 28.272 24.202 1.00 0.00 C ATOM 661 CG ARG A 42 30.545 26.915 24.595 1.00 0.00 C ATOM 662 CD ARG A 42 30.233 26.903 26.090 1.00 0.00 C ATOM 663 NE ARG A 42 29.360 25.780 26.424 1.00 0.00 N ATOM 664 CZ ARG A 42 28.706 25.732 27.584 1.00 0.00 C ATOM 665 NH1 ARG A 42 27.920 24.722 27.850 1.00 0.00 N ATOM 666 NH2 ARG A 42 28.849 26.692 28.456 1.00 0.00 N ATOM 0 H ARG A 42 32.350 30.175 22.651 1.00 0.00 H new ATOM 0 HA ARG A 42 32.421 27.200 22.858 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.843 28.608 24.974 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.365 29.024 24.129 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.635 26.733 24.023 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.241 26.112 24.353 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.160 26.832 26.660 1.00 0.00 H new ATOM 0 HD3 ARG A 42 29.754 27.840 26.375 1.00 0.00 H new ATOM 0 HE ARG A 42 29.249 25.017 25.756 1.00 0.00 H new ATOM 0 HH11 ARG A 42 27.807 23.971 27.170 1.00 0.00 H new ATOM 0 HH12 ARG A 42 27.419 24.685 28.738 1.00 0.00 H new ATOM 0 HH21 ARG A 42 29.462 27.481 28.250 1.00 0.00 H new ATOM 0 HH22 ARG A 42 28.348 26.654 29.343 1.00 0.00 H new ATOM 680 N LEU A 43 30.814 27.142 20.914 1.00 0.00 N ATOM 681 CA LEU A 43 29.899 27.126 19.774 1.00 0.00 C ATOM 682 C LEU A 43 28.576 26.463 20.132 1.00 0.00 C ATOM 683 O LEU A 43 28.522 25.267 20.439 1.00 0.00 O ATOM 684 CB LEU A 43 30.528 26.372 18.608 1.00 0.00 C ATOM 685 CG LEU A 43 31.943 26.881 18.328 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.406 26.310 16.991 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.956 28.411 18.254 1.00 0.00 C ATOM 0 H LEU A 43 31.370 26.294 21.030 1.00 0.00 H new ATOM 0 HA LEU A 43 29.708 28.161 19.492 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.559 25.306 18.833 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.911 26.492 17.717 1.00 0.00 H new ATOM 0 HG LEU A 43 32.608 26.565 19.132 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.414 26.663 16.774 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.405 25.221 17.041 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.730 26.638 16.202 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.970 28.757 18.054 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.295 28.742 17.453 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.612 28.824 19.202 1.00 0.00 H new ATOM 699 N ILE A 44 27.508 27.255 20.083 1.00 0.00 N ATOM 700 CA ILE A 44 26.162 26.765 20.401 1.00 0.00 C ATOM 701 C ILE A 44 25.275 26.697 19.153 1.00 0.00 C ATOM 702 O ILE A 44 25.039 27.708 18.482 1.00 0.00 O ATOM 703 CB ILE A 44 25.497 27.697 21.422 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.426 27.919 22.626 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.177 27.085 21.899 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.885 26.576 23.206 1.00 0.00 C ATOM 0 H ILE A 44 27.545 28.241 19.826 1.00 0.00 H new ATOM 0 HA ILE A 44 26.268 25.760 20.810 1.00 0.00 H new ATOM 0 HB ILE A 44 25.301 28.657 20.944 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.293 28.505 22.321 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.906 28.494 23.392 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.708 27.750 22.624 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.510 26.949 21.047 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.371 26.119 22.366 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.542 26.753 24.058 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.016 26.004 23.531 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.424 26.015 22.442 1.00 0.00 H new ATOM 718 N PHE A 45 24.780 25.494 18.853 1.00 0.00 N ATOM 719 CA PHE A 45 23.904 25.280 17.704 1.00 0.00 C ATOM 720 C PHE A 45 22.827 24.262 18.070 1.00 0.00 C ATOM 721 O PHE A 45 23.133 23.161 18.523 1.00 0.00 O ATOM 722 CB PHE A 45 24.709 24.757 16.517 1.00 0.00 C ATOM 723 CG PHE A 45 23.838 24.705 15.286 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.747 25.815 14.441 1.00 0.00 C ATOM 725 CD2 PHE A 45 23.135 23.536 14.987 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.947 25.756 13.292 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.333 23.474 13.840 1.00 0.00 C ATOM 728 CZ PHE A 45 22.241 24.584 12.990 1.00 0.00 C ATOM 0 H PHE A 45 24.973 24.651 19.394 1.00 0.00 H new ATOM 0 HA PHE A 45 23.441 26.228 17.431 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.569 25.403 16.337 1.00 0.00 H new ATOM 0 HB3 PHE A 45 25.098 23.763 16.740 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.293 26.717 14.674 1.00 0.00 H new ATOM 0 HD2 PHE A 45 23.210 22.679 15.640 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.875 26.614 12.639 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.786 22.571 13.611 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.627 24.536 12.103 1.00 0.00 H new ATOM 738 N ALA A 46 21.568 24.641 17.883 1.00 0.00 N ATOM 739 CA ALA A 46 20.458 23.751 18.208 1.00 0.00 C ATOM 740 C ALA A 46 20.547 23.280 19.661 1.00 0.00 C ATOM 741 O ALA A 46 20.213 22.137 19.974 1.00 0.00 O ATOM 742 CB ALA A 46 20.475 22.539 17.276 1.00 0.00 C ATOM 0 H ALA A 46 21.291 25.550 17.512 1.00 0.00 H new ATOM 0 HA ALA A 46 19.527 24.302 18.076 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.644 21.878 17.523 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.378 22.873 16.243 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.415 22.001 17.396 1.00 0.00 H new ATOM 748 N GLY A 47 20.986 24.172 20.544 1.00 0.00 N ATOM 749 CA GLY A 47 21.105 23.846 21.964 1.00 0.00 C ATOM 750 C GLY A 47 22.116 22.722 22.214 1.00 0.00 C ATOM 751 O GLY A 47 22.110 22.107 23.279 1.00 0.00 O ATOM 0 H GLY A 47 21.265 25.123 20.304 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.409 24.736 22.516 1.00 0.00 H new ATOM 0 HA3 GLY A 47 20.130 23.549 22.350 1.00 0.00 H new ATOM 755 N LYS A 48 22.990 22.464 21.239 1.00 0.00 N ATOM 756 CA LYS A 48 24.014 21.417 21.378 1.00 0.00 C ATOM 757 C LYS A 48 25.406 21.983 21.125 1.00 0.00 C ATOM 758 O LYS A 48 25.634 22.642 20.111 1.00 0.00 O ATOM 759 CB LYS A 48 23.757 20.293 20.382 1.00 0.00 C ATOM 760 CG LYS A 48 22.411 19.624 20.681 1.00 0.00 C ATOM 761 CD LYS A 48 22.204 18.444 19.725 1.00 0.00 C ATOM 762 CE LYS A 48 20.864 17.773 20.028 1.00 0.00 C ATOM 763 NZ LYS A 48 20.868 17.274 21.432 1.00 0.00 N ATOM 0 H LYS A 48 23.013 22.960 20.348 1.00 0.00 H new ATOM 0 HA LYS A 48 23.960 21.032 22.396 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.758 20.689 19.366 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.559 19.557 20.438 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.386 19.278 21.714 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.601 20.345 20.567 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.224 18.791 18.692 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.016 17.725 19.836 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.049 18.482 19.885 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.694 16.947 19.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.147 16.532 21.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 21.804 16.882 21.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.655 18.059 22.080 1.00 0.00 H new ATOM 777 N GLN A 49 26.349 21.706 22.025 1.00 0.00 N ATOM 778 CA GLN A 49 27.710 22.180 21.843 1.00 0.00 C ATOM 779 C GLN A 49 28.420 21.333 20.798 1.00 0.00 C ATOM 780 O GLN A 49 28.364 20.104 20.840 1.00 0.00 O ATOM 781 CB GLN A 49 28.477 22.116 23.154 1.00 0.00 C ATOM 782 CG GLN A 49 27.937 23.175 24.114 1.00 0.00 C ATOM 783 CD GLN A 49 28.457 22.918 25.523 1.00 0.00 C ATOM 784 OE1 GLN A 49 29.684 23.245 25.826 1.00 0.00 O flip ATOM 785 NE2 GLN A 49 27.728 22.407 26.373 1.00 0.00 N flip ATOM 0 H GLN A 49 26.194 21.163 22.874 1.00 0.00 H new ATOM 0 HA GLN A 49 27.671 23.216 21.506 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.379 21.125 23.597 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.539 22.281 22.974 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.241 24.168 23.781 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.847 23.158 24.111 1.00 0.00 H new ATOM 0 HE21 GLN A 49 26.769 22.152 26.136 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.083 22.239 27.315 1.00 0.00 H new ATOM 794 N LEU A 50 29.065 21.991 19.849 1.00 0.00 N ATOM 795 CA LEU A 50 29.753 21.271 18.786 1.00 0.00 C ATOM 796 C LEU A 50 30.965 20.523 19.335 1.00 0.00 C ATOM 797 O LEU A 50 31.743 21.066 20.121 1.00 0.00 O ATOM 798 CB LEU A 50 30.179 22.250 17.691 1.00 0.00 C ATOM 799 CG LEU A 50 28.952 22.673 16.868 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.953 23.428 17.755 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.398 23.582 15.722 1.00 0.00 C ATOM 0 H LEU A 50 29.128 23.007 19.791 1.00 0.00 H new ATOM 0 HA LEU A 50 29.069 20.537 18.360 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.650 23.126 18.136 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.921 21.785 17.042 1.00 0.00 H new ATOM 0 HG LEU A 50 28.469 21.781 16.468 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.088 23.722 17.160 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.629 22.781 18.570 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.431 24.318 18.165 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.529 23.883 15.137 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.886 24.468 16.129 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.097 23.044 15.082 1.00 0.00 H new ATOM 813 N GLU A 51 31.111 19.267 18.911 1.00 0.00 N ATOM 814 CA GLU A 51 32.209 18.425 19.352 1.00 0.00 C ATOM 815 C GLU A 51 33.540 18.898 18.763 1.00 0.00 C ATOM 816 O GLU A 51 33.640 19.152 17.561 1.00 0.00 O ATOM 817 CB GLU A 51 31.935 16.978 18.939 1.00 0.00 C ATOM 818 CG GLU A 51 32.774 16.032 19.789 1.00 0.00 C ATOM 819 CD GLU A 51 32.668 14.612 19.240 1.00 0.00 C ATOM 820 OE1 GLU A 51 31.603 14.265 18.756 1.00 0.00 O ATOM 821 OE2 GLU A 51 33.651 13.893 19.315 1.00 0.00 O ATOM 0 H GLU A 51 30.473 18.813 18.257 1.00 0.00 H new ATOM 0 HA GLU A 51 32.283 18.490 20.438 1.00 0.00 H new ATOM 0 HB2 GLU A 51 30.876 16.749 19.061 1.00 0.00 H new ATOM 0 HB3 GLU A 51 32.171 16.840 17.884 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.815 16.355 19.789 1.00 0.00 H new ATOM 0 HG3 GLU A 51 32.432 16.058 20.824 1.00 0.00 H new ATOM 828 N ASP A 52 34.544 19.019 19.624 1.00 0.00 N ATOM 829 CA ASP A 52 35.859 19.476 19.209 1.00 0.00 C ATOM 830 C ASP A 52 36.522 18.554 18.177 1.00 0.00 C ATOM 831 O ASP A 52 37.733 18.645 17.973 1.00 0.00 O ATOM 832 CB ASP A 52 36.770 19.581 20.435 1.00 0.00 C ATOM 833 CG ASP A 52 36.170 20.547 21.452 1.00 0.00 C ATOM 834 OD1 ASP A 52 35.757 21.620 21.047 1.00 0.00 O ATOM 835 OD2 ASP A 52 36.134 20.199 22.621 1.00 0.00 O ATOM 0 H ASP A 52 34.468 18.805 20.618 1.00 0.00 H new ATOM 0 HA ASP A 52 35.719 20.447 18.734 1.00 0.00 H new ATOM 0 HB2 ASP A 52 36.899 18.598 20.888 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.759 19.925 20.134 1.00 0.00 H new ATOM 840 N GLY A 53 35.760 17.668 17.526 1.00 0.00 N ATOM 841 CA GLY A 53 36.375 16.772 16.537 1.00 0.00 C ATOM 842 C GLY A 53 35.377 16.185 15.533 1.00 0.00 C ATOM 843 O GLY A 53 35.672 15.173 14.897 1.00 0.00 O ATOM 0 H GLY A 53 34.755 17.552 17.657 1.00 0.00 H new ATOM 0 HA2 GLY A 53 37.145 17.319 15.993 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.874 15.956 17.060 1.00 0.00 H new ATOM 847 N ARG A 54 34.213 16.817 15.363 1.00 0.00 N ATOM 848 CA ARG A 54 33.211 16.314 14.403 1.00 0.00 C ATOM 849 C ARG A 54 33.196 17.160 13.128 1.00 0.00 C ATOM 850 O ARG A 54 33.834 18.212 13.052 1.00 0.00 O ATOM 851 CB ARG A 54 31.809 16.319 15.042 1.00 0.00 C ATOM 852 CG ARG A 54 31.629 15.079 15.943 1.00 0.00 C ATOM 853 CD ARG A 54 31.133 13.880 15.120 1.00 0.00 C ATOM 854 NE ARG A 54 31.037 12.698 15.969 1.00 0.00 N ATOM 855 CZ ARG A 54 30.028 12.544 16.821 1.00 0.00 C ATOM 856 NH1 ARG A 54 29.959 11.474 17.565 1.00 0.00 N ATOM 857 NH2 ARG A 54 29.112 13.468 16.919 1.00 0.00 N ATOM 0 H ARG A 54 33.939 17.662 15.864 1.00 0.00 H new ATOM 0 HA ARG A 54 33.485 15.293 14.139 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.672 17.227 15.629 1.00 0.00 H new ATOM 0 HB3 ARG A 54 31.046 16.325 14.263 1.00 0.00 H new ATOM 0 HG2 ARG A 54 32.576 14.831 16.423 1.00 0.00 H new ATOM 0 HG3 ARG A 54 30.917 15.301 16.738 1.00 0.00 H new ATOM 0 HD2 ARG A 54 30.159 14.105 14.684 1.00 0.00 H new ATOM 0 HD3 ARG A 54 31.816 13.689 14.292 1.00 0.00 H new ATOM 0 HE ARG A 54 31.756 11.977 15.908 1.00 0.00 H new ATOM 0 HH11 ARG A 54 30.679 10.755 17.493 1.00 0.00 H new ATOM 0 HH12 ARG A 54 29.185 11.356 18.219 1.00 0.00 H new ATOM 0 HH21 ARG A 54 29.170 14.307 16.342 1.00 0.00 H new ATOM 0 HH22 ARG A 54 28.337 13.351 17.572 1.00 0.00 H new ATOM 871 N THR A 55 32.452 16.677 12.129 1.00 0.00 N ATOM 872 CA THR A 55 32.325 17.371 10.847 1.00 0.00 C ATOM 873 C THR A 55 30.962 18.054 10.754 1.00 0.00 C ATOM 874 O THR A 55 29.964 17.568 11.310 1.00 0.00 O ATOM 875 CB THR A 55 32.472 16.372 9.694 1.00 0.00 C ATOM 876 OG1 THR A 55 31.538 15.313 9.865 1.00 0.00 O ATOM 877 CG2 THR A 55 33.894 15.804 9.686 1.00 0.00 C ATOM 0 H THR A 55 31.927 15.804 12.185 1.00 0.00 H new ATOM 0 HA THR A 55 33.111 18.123 10.777 1.00 0.00 H new ATOM 0 HB THR A 55 32.280 16.878 8.748 1.00 0.00 H new ATOM 0 HG1 THR A 55 31.629 14.674 9.128 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.997 15.094 8.866 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.609 16.616 9.555 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.089 15.297 10.631 1.00 0.00 H new ATOM 885 N LEU A 56 30.901 19.167 10.032 1.00 0.00 N ATOM 886 CA LEU A 56 29.642 19.860 9.876 1.00 0.00 C ATOM 887 C LEU A 56 28.613 18.908 9.285 1.00 0.00 C ATOM 888 O LEU A 56 27.440 18.970 9.637 1.00 0.00 O ATOM 889 CB LEU A 56 29.823 21.088 8.979 1.00 0.00 C ATOM 890 CG LEU A 56 30.467 22.235 9.777 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.935 21.907 10.076 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.389 23.513 8.945 1.00 0.00 C ATOM 0 H LEU A 56 31.695 19.597 9.557 1.00 0.00 H new ATOM 0 HA LEU A 56 29.290 20.201 10.850 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.448 20.834 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.858 21.406 8.585 1.00 0.00 H new ATOM 0 HG LEU A 56 29.937 22.368 10.720 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.383 22.725 10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.991 20.989 10.660 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.476 21.774 9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.842 24.336 9.498 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.924 23.369 8.006 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.345 23.748 8.736 1.00 0.00 H new ATOM 904 N SER A 57 29.045 18.036 8.368 1.00 0.00 N ATOM 905 CA SER A 57 28.130 17.093 7.729 1.00 0.00 C ATOM 906 C SER A 57 27.204 16.442 8.750 1.00 0.00 C ATOM 907 O SER A 57 26.006 16.269 8.492 1.00 0.00 O ATOM 908 CB SER A 57 28.930 16.010 7.003 1.00 0.00 C ATOM 909 OG SER A 57 28.033 15.076 6.420 1.00 0.00 O ATOM 0 H SER A 57 30.014 17.966 8.056 1.00 0.00 H new ATOM 0 HA SER A 57 27.519 17.645 7.015 1.00 0.00 H new ATOM 0 HB2 SER A 57 29.557 16.459 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 57 29.597 15.504 7.701 1.00 0.00 H new ATOM 0 HG SER A 57 28.542 14.381 5.953 1.00 0.00 H new ATOM 915 N ASP A 58 27.749 16.111 9.916 1.00 0.00 N ATOM 916 CA ASP A 58 26.938 15.513 10.964 1.00 0.00 C ATOM 917 C ASP A 58 25.883 16.520 11.383 1.00 0.00 C ATOM 918 O ASP A 58 24.733 16.175 11.662 1.00 0.00 O ATOM 919 CB ASP A 58 27.808 15.134 12.167 1.00 0.00 C ATOM 920 CG ASP A 58 28.803 14.043 11.779 1.00 0.00 C ATOM 921 OD1 ASP A 58 28.360 12.984 11.362 1.00 0.00 O ATOM 922 OD2 ASP A 58 29.993 14.280 11.907 1.00 0.00 O ATOM 0 H ASP A 58 28.732 16.245 10.155 1.00 0.00 H new ATOM 0 HA ASP A 58 26.466 14.605 10.590 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.343 16.012 12.528 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.177 14.786 12.985 1.00 0.00 H new ATOM 927 N TYR A 59 26.299 17.783 11.406 1.00 0.00 N ATOM 928 CA TYR A 59 25.408 18.879 11.776 1.00 0.00 C ATOM 929 C TYR A 59 24.615 19.390 10.565 1.00 0.00 C ATOM 930 O TYR A 59 23.764 20.269 10.704 1.00 0.00 O ATOM 931 CB TYR A 59 26.238 20.021 12.363 1.00 0.00 C ATOM 932 CG TYR A 59 26.773 19.622 13.723 1.00 0.00 C ATOM 933 CD1 TYR A 59 28.113 19.243 13.866 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.926 19.631 14.840 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.607 18.874 15.124 1.00 0.00 C ATOM 936 CE2 TYR A 59 26.421 19.262 16.097 1.00 0.00 C ATOM 937 CZ TYR A 59 27.762 18.884 16.239 1.00 0.00 C ATOM 938 OH TYR A 59 28.249 18.520 17.477 1.00 0.00 O ATOM 0 H TYR A 59 27.249 18.073 11.173 1.00 0.00 H new ATOM 0 HA TYR A 59 24.695 18.510 12.513 1.00 0.00 H new ATOM 0 HB2 TYR A 59 27.064 20.263 11.694 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.626 20.919 12.452 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.766 19.235 13.006 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.892 19.922 14.731 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.641 18.582 15.233 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.768 19.269 16.957 1.00 0.00 H new ATOM 0 HH TYR A 59 27.532 18.583 18.142 1.00 0.00 H new ATOM 948 N ASN A 60 24.888 18.842 9.375 1.00 0.00 N ATOM 949 CA ASN A 60 24.177 19.271 8.168 1.00 0.00 C ATOM 950 C ASN A 60 22.833 18.561 8.053 1.00 0.00 C ATOM 951 O ASN A 60 21.823 19.177 7.705 1.00 0.00 O ATOM 952 CB ASN A 60 25.011 18.985 6.916 1.00 0.00 C ATOM 953 CG ASN A 60 24.285 19.509 5.678 1.00 0.00 C ATOM 954 OD1 ASN A 60 23.361 20.314 5.794 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.649 19.098 4.493 1.00 0.00 N ATOM 0 H ASN A 60 25.585 18.112 9.224 1.00 0.00 H new ATOM 0 HA ASN A 60 24.009 20.345 8.247 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.989 19.459 7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 60 25.184 17.913 6.821 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.168 19.444 3.663 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.415 18.431 4.397 1.00 0.00 H new ATOM 962 N ILE A 61 22.820 17.265 8.352 1.00 0.00 N ATOM 963 CA ILE A 61 21.582 16.503 8.283 1.00 0.00 C ATOM 964 C ILE A 61 20.573 17.097 9.262 1.00 0.00 C ATOM 965 O ILE A 61 19.409 17.322 8.926 1.00 0.00 O ATOM 966 CB ILE A 61 21.852 15.031 8.616 1.00 0.00 C ATOM 967 CG1 ILE A 61 20.634 14.196 8.231 1.00 0.00 C ATOM 968 CG2 ILE A 61 22.130 14.875 10.112 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.921 12.713 8.481 1.00 0.00 C ATOM 0 H ILE A 61 23.639 16.730 8.640 1.00 0.00 H new ATOM 0 HA ILE A 61 21.175 16.556 7.273 1.00 0.00 H new ATOM 0 HB ILE A 61 22.723 14.689 8.057 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.767 14.511 8.812 1.00 0.00 H new ATOM 0 HG13 ILE A 61 20.389 14.356 7.181 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.321 13.826 10.339 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.002 15.470 10.384 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.266 15.218 10.680 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.048 12.122 8.204 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.775 12.401 7.880 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.144 12.559 9.537 1.00 0.00 H new ATOM 981 N GLN A 62 21.040 17.324 10.485 1.00 0.00 N ATOM 982 CA GLN A 62 20.200 17.880 11.533 1.00 0.00 C ATOM 983 C GLN A 62 19.907 19.349 11.240 1.00 0.00 C ATOM 984 O GLN A 62 19.993 20.194 12.130 1.00 0.00 O ATOM 985 CB GLN A 62 20.921 17.760 12.884 1.00 0.00 C ATOM 986 CG GLN A 62 21.188 16.284 13.206 1.00 0.00 C ATOM 987 CD GLN A 62 21.518 16.125 14.687 1.00 0.00 C ATOM 988 OE1 GLN A 62 20.657 16.336 15.541 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.721 15.765 15.045 1.00 0.00 N ATOM 0 H GLN A 62 21.999 17.130 10.773 1.00 0.00 H new ATOM 0 HA GLN A 62 19.260 17.329 11.570 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.861 18.310 12.854 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.314 18.209 13.671 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.314 15.684 12.953 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.014 15.914 12.599 1.00 0.00 H new ATOM 0 HE21 GLN A 62 23.433 15.591 14.336 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.948 15.658 16.034 1.00 0.00 H new ATOM 998 N LYS A 63 19.560 19.650 9.983 1.00 0.00 N ATOM 999 CA LYS A 63 19.250 21.025 9.585 1.00 0.00 C ATOM 1000 C LYS A 63 17.864 21.454 10.075 1.00 0.00 C ATOM 1001 O LYS A 63 17.005 21.829 9.271 1.00 0.00 O ATOM 1002 CB LYS A 63 19.330 21.172 8.055 1.00 0.00 C ATOM 1003 CG LYS A 63 18.501 20.075 7.378 1.00 0.00 C ATOM 1004 CD LYS A 63 18.242 20.443 5.912 1.00 0.00 C ATOM 1005 CE LYS A 63 17.329 19.390 5.277 1.00 0.00 C ATOM 1006 NZ LYS A 63 15.932 19.587 5.760 1.00 0.00 N ATOM 0 H LYS A 63 19.488 18.965 9.231 1.00 0.00 H new ATOM 0 HA LYS A 63 19.991 21.676 10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 63 18.962 22.154 7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.368 21.108 7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.028 19.122 7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.554 19.947 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.779 21.428 5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.185 20.499 5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.364 19.470 4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.676 18.389 5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.278 19.041 5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.856 19.261 6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.686 20.596 5.709 1.00 0.00 H new ATOM 1020 N GLU A 64 17.654 21.414 11.393 1.00 0.00 N ATOM 1021 CA GLU A 64 16.370 21.815 11.970 1.00 0.00 C ATOM 1022 C GLU A 64 16.031 23.237 11.536 1.00 0.00 C ATOM 1023 O GLU A 64 14.884 23.548 11.223 1.00 0.00 O ATOM 1024 CB GLU A 64 16.447 21.756 13.503 1.00 0.00 C ATOM 1025 CG GLU A 64 16.614 20.305 13.960 1.00 0.00 C ATOM 1026 CD GLU A 64 16.497 20.220 15.480 1.00 0.00 C ATOM 1027 OE1 GLU A 64 17.254 20.902 16.154 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.652 19.477 15.947 1.00 0.00 O ATOM 0 H GLU A 64 18.350 21.111 12.075 1.00 0.00 H new ATOM 0 HA GLU A 64 15.595 21.133 11.619 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.285 22.357 13.857 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.543 22.182 13.938 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.854 19.678 13.493 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.583 19.923 13.640 1.00 0.00 H new HETATM 1035 N SEP A 65 17.042 24.101 11.515 1.00 0.00 N HETATM 1036 CA SEP A 65 16.866 25.499 11.110 1.00 0.00 C HETATM 1037 CB SEP A 65 17.045 26.423 12.312 1.00 0.00 C HETATM 1038 OG SEP A 65 16.542 27.717 11.995 1.00 0.00 O HETATM 1039 C SEP A 65 17.892 25.844 10.036 1.00 0.00 C HETATM 1040 O SEP A 65 18.291 24.980 9.255 1.00 0.00 O HETATM 1041 P SEP A 65 16.087 28.659 13.121 1.00 0.00 P HETATM 1042 O1P SEP A 65 14.856 27.945 13.777 1.00 0.00 O HETATM 1043 O2P SEP A 65 15.721 30.008 12.413 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.320 28.775 14.082 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.519 26.018 13.177 1.00 0.00 H new HETATM 0 HB2 SEP A 65 18.099 26.487 12.581 1.00 0.00 H new HETATM 0 HA SEP A 65 15.860 25.634 10.713 1.00 0.00 H new ATOM 1049 N THR A 66 18.334 27.099 10.013 1.00 0.00 N ATOM 1050 CA THR A 66 19.344 27.528 9.046 1.00 0.00 C ATOM 1051 C THR A 66 20.726 27.325 9.650 1.00 0.00 C ATOM 1052 O THR A 66 20.838 26.905 10.801 1.00 0.00 O ATOM 1053 CB THR A 66 19.130 29.009 8.686 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.617 29.701 9.820 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.136 29.111 7.529 1.00 0.00 C ATOM 0 H THR A 66 18.013 27.832 10.646 1.00 0.00 H new ATOM 0 HA THR A 66 19.257 26.936 8.135 1.00 0.00 H new ATOM 0 HB THR A 66 20.079 29.455 8.388 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.482 30.645 9.594 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.983 30.159 7.272 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.530 28.579 6.663 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.186 28.668 7.826 1.00 0.00 H new ATOM 1063 N LEU A 67 21.778 27.605 8.880 1.00 0.00 N ATOM 1064 CA LEU A 67 23.140 27.416 9.363 1.00 0.00 C ATOM 1065 C LEU A 67 23.578 28.589 10.232 1.00 0.00 C ATOM 1066 O LEU A 67 24.721 29.046 10.157 1.00 0.00 O ATOM 1067 CB LEU A 67 24.086 27.284 8.160 1.00 0.00 C ATOM 1068 CG LEU A 67 23.514 26.274 7.146 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.385 26.244 5.884 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.483 24.874 7.771 1.00 0.00 C ATOM 0 H LEU A 67 21.711 27.961 7.926 1.00 0.00 H new ATOM 0 HA LEU A 67 23.175 26.511 9.969 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.218 28.255 7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.070 26.957 8.495 1.00 0.00 H new ATOM 0 HG LEU A 67 22.502 26.579 6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.972 25.527 5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.403 27.235 5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.400 25.948 6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.078 24.163 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.495 24.576 8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.854 24.887 8.661 1.00 0.00 H new ATOM 1082 N HIS A 68 22.655 29.056 11.059 1.00 0.00 N ATOM 1083 CA HIS A 68 22.933 30.163 11.962 1.00 0.00 C ATOM 1084 C HIS A 68 23.636 29.629 13.200 1.00 0.00 C ATOM 1085 O HIS A 68 23.131 28.731 13.874 1.00 0.00 O ATOM 1086 CB HIS A 68 21.622 30.849 12.367 1.00 0.00 C ATOM 1087 CG HIS A 68 20.851 29.955 13.302 1.00 0.00 C ATOM 1088 ND1 HIS A 68 20.696 28.599 13.064 1.00 0.00 N ATOM 1089 CD2 HIS A 68 20.199 30.206 14.483 1.00 0.00 C ATOM 1090 CE1 HIS A 68 19.975 28.090 14.079 1.00 0.00 C ATOM 1091 NE2 HIS A 68 19.645 29.026 14.971 1.00 0.00 N ATOM 0 H HIS A 68 21.707 28.686 11.124 1.00 0.00 H new ATOM 0 HA HIS A 68 23.571 30.891 11.461 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.833 31.802 12.851 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.025 31.067 11.481 1.00 0.00 H new ATOM 0 HD2 HIS A 68 20.127 31.172 14.961 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.697 27.050 14.162 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.103 28.903 15.826 1.00 0.00 H new ATOM 1100 N LEU A 69 24.808 30.176 13.483 1.00 0.00 N ATOM 1101 CA LEU A 69 25.599 29.749 14.629 1.00 0.00 C ATOM 1102 C LEU A 69 25.696 30.871 15.653 1.00 0.00 C ATOM 1103 O LEU A 69 25.903 32.030 15.294 1.00 0.00 O ATOM 1104 CB LEU A 69 26.997 29.355 14.132 1.00 0.00 C ATOM 1105 CG LEU A 69 27.935 29.054 15.310 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.321 27.971 16.210 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.281 28.560 14.764 1.00 0.00 C ATOM 0 H LEU A 69 25.235 30.921 12.932 1.00 0.00 H new ATOM 0 HA LEU A 69 25.123 28.896 15.112 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.924 28.479 13.487 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.413 30.162 13.528 1.00 0.00 H new ATOM 0 HG LEU A 69 28.080 29.961 15.896 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.994 27.765 17.042 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.363 28.319 16.596 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.170 27.060 15.631 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.953 28.344 15.594 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.126 27.654 14.178 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.722 29.330 14.131 1.00 0.00 H new ATOM 1119 N VAL A 70 25.568 30.516 16.931 1.00 0.00 N ATOM 1120 CA VAL A 70 25.668 31.496 18.005 1.00 0.00 C ATOM 1121 C VAL A 70 27.034 31.393 18.661 1.00 0.00 C ATOM 1122 O VAL A 70 27.429 30.328 19.136 1.00 0.00 O ATOM 1123 CB VAL A 70 24.564 31.259 19.038 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.823 32.109 20.286 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.221 31.657 18.427 1.00 0.00 C ATOM 0 H VAL A 70 25.396 29.561 17.244 1.00 0.00 H new ATOM 0 HA VAL A 70 25.546 32.497 17.591 1.00 0.00 H new ATOM 0 HB VAL A 70 24.551 30.206 19.320 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.033 31.934 21.016 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.785 31.835 20.720 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.836 33.164 20.011 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.427 31.492 19.155 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.246 32.711 18.149 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.031 31.052 17.540 1.00 0.00 H new ATOM 1135 N LEU A 71 27.760 32.508 18.677 1.00 0.00 N ATOM 1136 CA LEU A 71 29.095 32.538 19.270 1.00 0.00 C ATOM 1137 C LEU A 71 29.060 33.091 20.690 1.00 0.00 C ATOM 1138 O LEU A 71 28.499 34.157 20.943 1.00 0.00 O ATOM 1139 CB LEU A 71 30.032 33.396 18.414 1.00 0.00 C ATOM 1140 CG LEU A 71 31.487 33.219 18.887 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.973 31.784 18.608 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.387 34.213 18.143 1.00 0.00 C ATOM 0 H LEU A 71 27.449 33.398 18.289 1.00 0.00 H new ATOM 0 HA LEU A 71 29.464 31.513 19.308 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.944 33.110 17.366 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.743 34.445 18.484 1.00 0.00 H new ATOM 0 HG LEU A 71 31.534 33.405 19.960 1.00 0.00 H new ATOM 0 HD11 LEU A 71 33.003 31.676 18.948 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.339 31.075 19.140 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.922 31.584 17.538 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.418 34.090 18.476 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.327 34.026 17.071 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.057 35.230 18.353 1.00 0.00 H new ATOM 1154 N ARG A 72 29.669 32.349 21.609 1.00 0.00 N ATOM 1155 CA ARG A 72 29.726 32.749 23.015 1.00 0.00 C ATOM 1156 C ARG A 72 31.102 32.404 23.571 1.00 0.00 C ATOM 1157 O ARG A 72 31.874 31.714 22.918 1.00 0.00 O ATOM 1158 CB ARG A 72 28.645 31.993 23.813 1.00 0.00 C ATOM 1159 CG ARG A 72 27.331 32.791 23.823 1.00 0.00 C ATOM 1160 CD ARG A 72 26.204 31.936 24.414 1.00 0.00 C ATOM 1161 NE ARG A 72 26.354 31.830 25.861 1.00 0.00 N ATOM 1162 CZ ARG A 72 25.505 31.110 26.587 1.00 0.00 C ATOM 1163 NH1 ARG A 72 25.660 31.028 27.879 1.00 0.00 N ATOM 1164 NH2 ARG A 72 24.516 30.487 26.005 1.00 0.00 N ATOM 0 H ARG A 72 30.133 31.463 21.406 1.00 0.00 H new ATOM 0 HA ARG A 72 29.550 33.821 23.100 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.478 31.011 23.371 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.986 31.829 24.835 1.00 0.00 H new ATOM 0 HG2 ARG A 72 27.453 33.702 24.409 1.00 0.00 H new ATOM 0 HG3 ARG A 72 27.074 33.097 22.809 1.00 0.00 H new ATOM 0 HD2 ARG A 72 25.238 32.379 24.173 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.219 30.942 23.966 1.00 0.00 H new ATOM 0 HE ARG A 72 27.123 32.316 26.323 1.00 0.00 H new ATOM 0 HH11 ARG A 72 26.433 31.516 28.332 1.00 0.00 H new ATOM 0 HH12 ARG A 72 25.009 30.476 28.437 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.396 30.553 24.994 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.864 29.934 26.561 1.00 0.00 H new ATOM 1178 N LEU A 73 31.412 32.895 24.771 1.00 0.00 N ATOM 1179 CA LEU A 73 32.711 32.626 25.397 1.00 0.00 C ATOM 1180 C LEU A 73 32.519 31.826 26.682 1.00 0.00 C ATOM 1181 O LEU A 73 31.509 31.975 27.371 1.00 0.00 O ATOM 1182 CB LEU A 73 33.431 33.943 25.714 1.00 0.00 C ATOM 1183 CG LEU A 73 32.462 34.925 26.420 1.00 0.00 C ATOM 1184 CD1 LEU A 73 33.226 35.782 27.439 1.00 0.00 C ATOM 1185 CD2 LEU A 73 31.808 35.846 25.380 1.00 0.00 C ATOM 0 H LEU A 73 30.787 33.478 25.328 1.00 0.00 H new ATOM 0 HA LEU A 73 33.318 32.047 24.701 1.00 0.00 H new ATOM 0 HB2 LEU A 73 34.294 33.750 26.352 1.00 0.00 H new ATOM 0 HB3 LEU A 73 33.808 34.391 24.794 1.00 0.00 H new ATOM 0 HG LEU A 73 31.695 34.348 26.936 1.00 0.00 H new ATOM 0 HD11 LEU A 73 32.535 36.468 27.929 1.00 0.00 H new ATOM 0 HD12 LEU A 73 33.686 35.135 28.186 1.00 0.00 H new ATOM 0 HD13 LEU A 73 34.001 36.352 26.927 1.00 0.00 H new ATOM 0 HD21 LEU A 73 31.128 36.535 25.881 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.580 36.413 24.859 1.00 0.00 H new ATOM 0 HD23 LEU A 73 31.252 35.245 24.661 1.00 0.00 H new ATOM 1197 N ARG A 74 33.495 30.977 27.000 1.00 0.00 N ATOM 1198 CA ARG A 74 33.420 30.154 28.205 1.00 0.00 C ATOM 1199 C ARG A 74 33.285 31.029 29.447 1.00 0.00 C ATOM 1200 O ARG A 74 33.950 32.058 29.568 1.00 0.00 O ATOM 1201 CB ARG A 74 34.675 29.284 28.322 1.00 0.00 C ATOM 1202 CG ARG A 74 34.528 28.328 29.509 1.00 0.00 C ATOM 1203 CD ARG A 74 35.708 27.354 29.530 1.00 0.00 C ATOM 1204 NE ARG A 74 35.540 26.380 30.604 1.00 0.00 N ATOM 1205 CZ ARG A 74 36.367 25.347 30.733 1.00 0.00 C ATOM 1206 NH1 ARG A 74 36.200 24.495 31.707 1.00 0.00 N ATOM 1207 NH2 ARG A 74 37.344 25.183 29.883 1.00 0.00 N ATOM 0 H ARG A 74 34.340 30.842 26.445 1.00 0.00 H new ATOM 0 HA ARG A 74 32.540 29.514 28.131 1.00 0.00 H new ATOM 0 HB2 ARG A 74 34.824 28.718 27.403 1.00 0.00 H new ATOM 0 HB3 ARG A 74 35.555 29.913 28.456 1.00 0.00 H new ATOM 0 HG2 ARG A 74 34.492 28.892 30.441 1.00 0.00 H new ATOM 0 HG3 ARG A 74 33.590 27.778 29.432 1.00 0.00 H new ATOM 0 HD2 ARG A 74 35.782 26.840 28.572 1.00 0.00 H new ATOM 0 HD3 ARG A 74 36.639 27.903 29.670 1.00 0.00 H new ATOM 0 HE ARG A 74 34.774 26.494 31.268 1.00 0.00 H new ATOM 0 HH11 ARG A 74 35.435 24.621 32.370 1.00 0.00 H new ATOM 0 HH12 ARG A 74 36.835 23.703 31.806 1.00 0.00 H new ATOM 0 HH21 ARG A 74 37.473 25.847 29.120 1.00 0.00 H new ATOM 0 HH22 ARG A 74 37.978 24.391 29.982 1.00 0.00 H new ATOM 1221 N GLY A 75 32.419 30.613 30.366 1.00 0.00 N ATOM 1222 CA GLY A 75 32.203 31.368 31.594 1.00 0.00 C ATOM 1223 C GLY A 75 31.497 32.688 31.305 1.00 0.00 C ATOM 1224 O GLY A 75 30.462 32.718 30.639 1.00 0.00 O ATOM 0 H GLY A 75 31.860 29.764 30.284 1.00 0.00 H new ATOM 0 HA2 GLY A 75 31.607 30.777 32.289 1.00 0.00 H new ATOM 0 HA3 GLY A 75 33.160 31.561 32.080 1.00 0.00 H new ATOM 1228 N GLY A 76 32.062 33.779 31.812 1.00 0.00 N ATOM 1229 CA GLY A 76 31.476 35.098 31.604 1.00 0.00 C ATOM 1230 C GLY A 76 30.086 35.179 32.227 1.00 0.00 C ATOM 1231 O GLY A 76 29.827 36.145 32.925 1.00 0.00 O ATOM 1232 OXT GLY A 76 29.302 34.274 31.997 1.00 0.00 O ATOM 0 H GLY A 76 32.919 33.777 32.366 1.00 0.00 H new ATOM 0 HA2 GLY A 76 32.120 35.860 32.042 1.00 0.00 H new ATOM 0 HA3 GLY A 76 31.414 35.309 30.536 1.00 0.00 H new TER 1236 GLY A 76