USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 471 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 TRP N :NH3+ 177:sc= 0.0802 (180deg=0.0776) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 170:sc= -0.0201 (180deg=-0.229) USER MOD Single : A 8 THR OG1 : rot 67:sc= 0.363 USER MOD Single : A 10 LYS NZ :NH3+ -147:sc= -0.923 (180deg=-2.56!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.238 K(o=0.24,f=-5.5!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -176:sc= 0 (180deg=-0.0373) USER MOD Single : A 29 SER OG : rot -42:sc= 0.373 USER MOD Single : A 30 LYS NZ :NH3+ -138:sc= -0.452 (180deg=-3.24!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.282 K(o=-0.28,f=-6.1!) USER MOD Single : A 35 CYS SG : rot -69:sc= -1.19! USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00926) USER MOD Single : A 37 ASN : amide:sc= -0.0602 K(o=-0.06,f=-0.96) USER MOD Single : A 39 TYR OH : rot -140:sc= -0.0545 USER MOD Single : A 53 GLN : amide:sc= -0.0849 X(o=-0.085,f=-0.36) USER MOD Single : A 54 GLN : amide:sc= -0.716 K(o=-0.72,f=-5!) USER MOD Single : A 55 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=-0.33) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 171:sc=-0.00561 (180deg=-0.116) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.710 0.072 -0.873 1.00 0.00 N ATOM 2 CA TRP A 1 2.467 -0.003 -2.141 1.00 0.00 C ATOM 3 C TRP A 1 2.456 -1.447 -2.677 1.00 0.00 C ATOM 4 O TRP A 1 2.985 -2.355 -2.029 1.00 0.00 O ATOM 5 CB TRP A 1 3.924 0.504 -1.939 1.00 0.00 C ATOM 6 CG TRP A 1 4.049 2.006 -1.799 1.00 0.00 C ATOM 7 CD1 TRP A 1 3.425 2.810 -0.885 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.869 2.875 -2.595 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.781 4.116 -1.085 1.00 0.00 N ATOM 10 CE2 TRP A 1 4.666 4.186 -2.123 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.748 2.671 -3.667 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.309 5.283 -2.678 1.00 0.00 C ATOM 13 CZ3 TRP A 1 6.383 3.764 -4.221 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.160 5.058 -3.721 1.00 0.00 C ATOM 0 H1 TRP A 1 1.765 1.038 -0.492 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.715 -0.175 -1.048 1.00 0.00 H new ATOM 0 H3 TRP A 1 2.117 -0.594 -0.186 1.00 0.00 H new ATOM 0 HA TRP A 1 1.987 0.642 -2.877 1.00 0.00 H new ATOM 0 HB2 TRP A 1 4.340 0.032 -1.049 1.00 0.00 H new ATOM 0 HB3 TRP A 1 4.530 0.178 -2.785 1.00 0.00 H new ATOM 0 HD1 TRP A 1 2.749 2.464 -0.117 1.00 0.00 H new ATOM 0 HE1 TRP A 1 3.440 4.911 -0.545 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.925 1.678 -4.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 5.142 6.280 -2.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 7.061 3.623 -5.050 1.00 0.00 H new ATOM 0 HH2 TRP A 1 6.674 5.894 -4.172 1.00 0.00 H new ATOM 25 N THR A 2 1.836 -1.645 -3.860 1.00 0.00 N ATOM 26 CA THR A 2 1.827 -2.945 -4.564 1.00 0.00 C ATOM 27 C THR A 2 3.257 -3.285 -5.050 1.00 0.00 C ATOM 28 O THR A 2 4.009 -2.382 -5.400 1.00 0.00 O ATOM 29 CB THR A 2 0.821 -2.903 -5.767 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.485 -2.546 -5.274 1.00 0.00 O ATOM 31 CG2 THR A 2 0.728 -4.252 -6.514 1.00 0.00 C ATOM 0 H THR A 2 1.329 -0.910 -4.353 1.00 0.00 H new ATOM 0 HA THR A 2 1.499 -3.725 -3.877 1.00 0.00 H new ATOM 0 HB THR A 2 1.190 -2.163 -6.477 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.119 -2.516 -6.020 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.018 -4.164 -7.336 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.709 -4.518 -6.909 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.392 -5.027 -5.825 1.00 0.00 H new ATOM 39 N GLU A 3 3.618 -4.582 -5.070 1.00 0.00 N ATOM 40 CA GLU A 3 4.983 -5.056 -5.422 1.00 0.00 C ATOM 41 C GLU A 3 5.481 -4.551 -6.806 1.00 0.00 C ATOM 42 O GLU A 3 6.691 -4.552 -7.068 1.00 0.00 O ATOM 43 CB GLU A 3 5.038 -6.599 -5.355 1.00 0.00 C ATOM 44 CG GLU A 3 4.893 -7.184 -3.932 1.00 0.00 C ATOM 45 CD GLU A 3 4.870 -8.721 -3.911 1.00 0.00 C ATOM 46 OE1 GLU A 3 5.922 -9.343 -4.182 1.00 0.00 O ATOM 47 OE2 GLU A 3 3.795 -9.311 -3.650 1.00 0.00 O ATOM 0 H GLU A 3 2.973 -5.339 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 3 5.662 -4.627 -4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.246 -7.006 -5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.985 -6.935 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.719 -6.831 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.975 -6.807 -3.482 1.00 0.00 H new ATOM 54 N GLU A 4 4.543 -4.138 -7.673 1.00 0.00 N ATOM 55 CA GLU A 4 4.851 -3.543 -8.988 1.00 0.00 C ATOM 56 C GLU A 4 5.535 -2.164 -8.820 1.00 0.00 C ATOM 57 O GLU A 4 6.630 -1.928 -9.350 1.00 0.00 O ATOM 58 CB GLU A 4 3.544 -3.414 -9.806 1.00 0.00 C ATOM 59 CG GLU A 4 2.756 -4.730 -9.947 1.00 0.00 C ATOM 60 CD GLU A 4 1.452 -4.566 -10.741 1.00 0.00 C ATOM 61 OE1 GLU A 4 1.523 -4.335 -11.968 1.00 0.00 O ATOM 62 OE2 GLU A 4 0.354 -4.667 -10.149 1.00 0.00 O ATOM 0 H GLU A 4 3.543 -4.207 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 4 5.546 -4.191 -9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.904 -2.669 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.786 -3.040 -10.801 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.384 -5.472 -10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.525 -5.117 -8.955 1.00 0.00 H new ATOM 69 N GLU A 5 4.878 -1.265 -8.056 1.00 0.00 N ATOM 70 CA GLU A 5 5.403 0.087 -7.758 1.00 0.00 C ATOM 71 C GLU A 5 6.563 0.017 -6.739 1.00 0.00 C ATOM 72 O GLU A 5 7.406 0.907 -6.708 1.00 0.00 O ATOM 73 CB GLU A 5 4.273 1.046 -7.277 1.00 0.00 C ATOM 74 CG GLU A 5 3.622 0.659 -5.935 1.00 0.00 C ATOM 75 CD GLU A 5 2.462 1.574 -5.513 1.00 0.00 C ATOM 76 OE1 GLU A 5 2.696 2.781 -5.307 1.00 0.00 O ATOM 77 OE2 GLU A 5 1.318 1.085 -5.386 1.00 0.00 O ATOM 0 H GLU A 5 3.971 -1.454 -7.629 1.00 0.00 H new ATOM 0 HA GLU A 5 5.801 0.501 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.683 2.052 -7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.498 1.084 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.256 -0.365 -6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.384 0.674 -5.156 1.00 0.00 H new ATOM 84 N MET A 6 6.558 -1.027 -5.878 1.00 0.00 N ATOM 85 CA MET A 6 7.701 -1.355 -4.989 1.00 0.00 C ATOM 86 C MET A 6 8.922 -1.764 -5.832 1.00 0.00 C ATOM 87 O MET A 6 10.055 -1.516 -5.439 1.00 0.00 O ATOM 88 CB MET A 6 7.350 -2.519 -4.016 1.00 0.00 C ATOM 89 CG MET A 6 6.258 -2.227 -2.964 1.00 0.00 C ATOM 90 SD MET A 6 6.904 -1.820 -1.317 1.00 0.00 S ATOM 91 CE MET A 6 7.768 -0.275 -1.588 1.00 0.00 C ATOM 0 H MET A 6 5.767 -1.663 -5.779 1.00 0.00 H new ATOM 0 HA MET A 6 7.928 -0.465 -4.403 1.00 0.00 H new ATOM 0 HB2 MET A 6 7.033 -3.377 -4.609 1.00 0.00 H new ATOM 0 HB3 MET A 6 8.260 -2.813 -3.492 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.642 -1.399 -3.316 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.606 -3.097 -2.882 1.00 0.00 H new ATOM 0 HE1 MET A 6 8.049 0.158 -0.628 1.00 0.00 H new ATOM 0 HE2 MET A 6 8.665 -0.458 -2.180 1.00 0.00 H new ATOM 0 HE3 MET A 6 7.117 0.418 -2.121 1.00 0.00 H new ATOM 101 N GLY A 7 8.656 -2.426 -6.980 1.00 0.00 N ATOM 102 CA GLY A 7 9.690 -2.791 -7.949 1.00 0.00 C ATOM 103 C GLY A 7 10.198 -1.589 -8.735 1.00 0.00 C ATOM 104 O GLY A 7 11.358 -1.557 -9.152 1.00 0.00 O ATOM 0 H GLY A 7 7.717 -2.718 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.524 -3.260 -7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.290 -3.532 -8.641 1.00 0.00 H new ATOM 108 N THR A 8 9.310 -0.597 -8.937 1.00 0.00 N ATOM 109 CA THR A 8 9.653 0.686 -9.578 1.00 0.00 C ATOM 110 C THR A 8 10.415 1.592 -8.576 1.00 0.00 C ATOM 111 O THR A 8 11.264 2.394 -8.972 1.00 0.00 O ATOM 112 CB THR A 8 8.359 1.403 -10.105 1.00 0.00 C ATOM 113 OG1 THR A 8 7.599 0.490 -10.919 1.00 0.00 O ATOM 114 CG2 THR A 8 8.674 2.666 -10.932 1.00 0.00 C ATOM 0 H THR A 8 8.331 -0.664 -8.659 1.00 0.00 H new ATOM 0 HA THR A 8 10.301 0.490 -10.432 1.00 0.00 H new ATOM 0 HB THR A 8 7.787 1.713 -9.230 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.256 -0.239 -10.360 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.743 3.121 -11.271 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.222 3.378 -10.315 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.280 2.393 -11.796 1.00 0.00 H new ATOM 122 N ALA A 9 10.105 1.435 -7.269 1.00 0.00 N ATOM 123 CA ALA A 9 10.800 2.145 -6.168 1.00 0.00 C ATOM 124 C ALA A 9 12.153 1.481 -5.879 1.00 0.00 C ATOM 125 O ALA A 9 13.101 2.137 -5.467 1.00 0.00 O ATOM 126 CB ALA A 9 9.925 2.184 -4.901 1.00 0.00 C ATOM 0 H ALA A 9 9.365 0.812 -6.946 1.00 0.00 H new ATOM 0 HA ALA A 9 10.980 3.174 -6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.457 2.710 -4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.992 2.704 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.706 1.166 -4.578 1.00 0.00 H new ATOM 132 N LYS A 10 12.210 0.159 -6.107 1.00 0.00 N ATOM 133 CA LYS A 10 13.449 -0.635 -6.031 1.00 0.00 C ATOM 134 C LYS A 10 14.380 -0.199 -7.172 1.00 0.00 C ATOM 135 O LYS A 10 15.575 0.018 -6.964 1.00 0.00 O ATOM 136 CB LYS A 10 13.083 -2.158 -6.105 1.00 0.00 C ATOM 137 CG LYS A 10 14.258 -3.181 -6.152 1.00 0.00 C ATOM 138 CD LYS A 10 14.824 -3.419 -7.580 1.00 0.00 C ATOM 139 CE LYS A 10 15.984 -4.431 -7.604 1.00 0.00 C ATOM 140 NZ LYS A 10 17.053 -4.085 -6.633 1.00 0.00 N ATOM 0 H LYS A 10 11.389 -0.395 -6.352 1.00 0.00 H new ATOM 0 HA LYS A 10 13.973 -0.469 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.464 -2.397 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.467 -2.313 -6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.062 -2.827 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.916 -4.132 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.023 -3.776 -8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.168 -2.470 -7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.600 -5.426 -7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.407 -4.472 -8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.976 -4.376 -7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.054 -3.058 -6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.879 -4.579 -5.734 1.00 0.00 H new ATOM 154 N LYS A 11 13.785 -0.082 -8.376 1.00 0.00 N ATOM 155 CA LYS A 11 14.470 0.382 -9.597 1.00 0.00 C ATOM 156 C LYS A 11 14.961 1.825 -9.411 1.00 0.00 C ATOM 157 O LYS A 11 16.082 2.143 -9.775 1.00 0.00 O ATOM 158 CB LYS A 11 13.509 0.289 -10.820 1.00 0.00 C ATOM 159 CG LYS A 11 14.102 0.764 -12.174 1.00 0.00 C ATOM 160 CD LYS A 11 15.237 -0.145 -12.715 1.00 0.00 C ATOM 161 CE LYS A 11 14.750 -1.552 -13.099 1.00 0.00 C ATOM 162 NZ LYS A 11 15.841 -2.373 -13.680 1.00 0.00 N ATOM 0 H LYS A 11 12.803 -0.310 -8.529 1.00 0.00 H new ATOM 0 HA LYS A 11 15.332 -0.258 -9.783 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.186 -0.746 -10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.619 0.880 -10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.303 0.810 -12.914 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.486 1.777 -12.056 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.689 0.328 -13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.018 -0.231 -11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.350 -2.051 -12.217 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.934 -1.471 -13.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.474 -3.314 -13.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.206 -1.909 -14.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.609 -2.472 -12.985 1.00 0.00 H new ATOM 176 N GLY A 12 14.108 2.671 -8.810 1.00 0.00 N ATOM 177 CA GLY A 12 14.432 4.077 -8.568 1.00 0.00 C ATOM 178 C GLY A 12 15.602 4.251 -7.612 1.00 0.00 C ATOM 179 O GLY A 12 16.601 4.895 -7.943 1.00 0.00 O ATOM 0 H GLY A 12 13.182 2.397 -8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 12 14.667 4.560 -9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.557 4.583 -8.161 1.00 0.00 H new ATOM 183 N LEU A 13 15.462 3.652 -6.422 1.00 0.00 N ATOM 184 CA LEU A 13 16.473 3.709 -5.349 1.00 0.00 C ATOM 185 C LEU A 13 17.787 3.004 -5.758 1.00 0.00 C ATOM 186 O LEU A 13 18.842 3.323 -5.222 1.00 0.00 O ATOM 187 CB LEU A 13 15.873 3.150 -4.023 1.00 0.00 C ATOM 188 CG LEU A 13 14.799 4.078 -3.345 1.00 0.00 C ATOM 189 CD1 LEU A 13 13.986 3.337 -2.263 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.463 5.348 -2.761 1.00 0.00 C ATOM 0 H LEU A 13 14.637 3.108 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 13 16.742 4.751 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.419 2.180 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.685 2.980 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 13 14.097 4.378 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.258 4.019 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.466 2.492 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.659 2.976 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.702 5.976 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.202 5.061 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.953 5.903 -3.561 1.00 0.00 H new ATOM 202 N LEU A 14 17.719 2.052 -6.712 1.00 0.00 N ATOM 203 CA LEU A 14 18.928 1.428 -7.292 1.00 0.00 C ATOM 204 C LEU A 14 19.604 2.447 -8.244 1.00 0.00 C ATOM 205 O LEU A 14 20.726 2.866 -8.008 1.00 0.00 O ATOM 206 CB LEU A 14 18.560 0.097 -8.040 1.00 0.00 C ATOM 207 CG LEU A 14 19.692 -0.985 -8.231 1.00 0.00 C ATOM 208 CD1 LEU A 14 19.105 -2.296 -8.795 1.00 0.00 C ATOM 209 CD2 LEU A 14 20.860 -0.499 -9.125 1.00 0.00 C ATOM 0 H LEU A 14 16.843 1.699 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 14 19.627 1.164 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.738 -0.372 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.183 0.363 -9.027 1.00 0.00 H new ATOM 0 HG LEU A 14 20.107 -1.166 -7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.903 -3.028 -8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.358 -2.687 -8.104 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.639 -2.100 -9.761 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.603 -1.291 -9.215 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.479 -0.244 -10.114 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.320 0.381 -8.676 1.00 0.00 H new ATOM 221 N GLU A 15 18.861 2.888 -9.266 1.00 0.00 N ATOM 222 CA GLU A 15 19.400 3.694 -10.387 1.00 0.00 C ATOM 223 C GLU A 15 19.801 5.114 -9.943 1.00 0.00 C ATOM 224 O GLU A 15 20.973 5.504 -10.042 1.00 0.00 O ATOM 225 CB GLU A 15 18.351 3.767 -11.530 1.00 0.00 C ATOM 226 CG GLU A 15 18.049 2.417 -12.221 1.00 0.00 C ATOM 227 CD GLU A 15 19.259 1.826 -12.963 1.00 0.00 C ATOM 228 OE1 GLU A 15 19.619 2.359 -14.039 1.00 0.00 O ATOM 229 OE2 GLU A 15 19.863 0.846 -12.473 1.00 0.00 O ATOM 0 H GLU A 15 17.862 2.699 -9.346 1.00 0.00 H new ATOM 0 HA GLU A 15 20.304 3.201 -10.745 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.422 4.168 -11.126 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.703 4.473 -12.282 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.707 1.703 -11.472 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.231 2.554 -12.928 1.00 0.00 H new ATOM 236 N HIS A 16 18.809 5.868 -9.447 1.00 0.00 N ATOM 237 CA HIS A 16 18.978 7.286 -9.045 1.00 0.00 C ATOM 238 C HIS A 16 19.620 7.402 -7.651 1.00 0.00 C ATOM 239 O HIS A 16 20.054 8.492 -7.247 1.00 0.00 O ATOM 240 CB HIS A 16 17.608 8.015 -9.044 1.00 0.00 C ATOM 241 CG HIS A 16 16.845 7.907 -10.337 1.00 0.00 C ATOM 242 ND1 HIS A 16 17.045 8.762 -11.399 1.00 0.00 N ATOM 243 CD2 HIS A 16 15.888 7.030 -10.737 1.00 0.00 C ATOM 244 CE1 HIS A 16 16.248 8.419 -12.391 1.00 0.00 C ATOM 245 NE2 HIS A 16 15.535 7.374 -12.017 1.00 0.00 N ATOM 0 H HIS A 16 17.861 5.517 -9.310 1.00 0.00 H new ATOM 0 HA HIS A 16 19.641 7.756 -9.772 1.00 0.00 H new ATOM 0 HB2 HIS A 16 16.995 7.609 -8.239 1.00 0.00 H new ATOM 0 HB3 HIS A 16 17.771 9.069 -8.820 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.481 6.215 -10.156 1.00 0.00 H new ATOM 0 HE1 HIS A 16 16.189 8.911 -13.350 1.00 0.00 H new ATOM 0 HE2 HIS A 16 14.835 6.899 -12.587 1.00 0.00 H new ATOM 254 N GLY A 17 19.672 6.271 -6.928 1.00 0.00 N ATOM 255 CA GLY A 17 20.159 6.241 -5.555 1.00 0.00 C ATOM 256 C GLY A 17 19.110 6.746 -4.575 1.00 0.00 C ATOM 257 O GLY A 17 17.913 6.610 -4.821 1.00 0.00 O ATOM 0 H GLY A 17 19.378 5.361 -7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.443 5.222 -5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 17 21.057 6.853 -5.474 1.00 0.00 H new ATOM 261 N ARG A 18 19.560 7.357 -3.475 1.00 0.00 N ATOM 262 CA ARG A 18 18.670 7.837 -2.394 1.00 0.00 C ATOM 263 C ARG A 18 18.311 9.325 -2.583 1.00 0.00 C ATOM 264 O ARG A 18 17.928 9.999 -1.625 1.00 0.00 O ATOM 265 CB ARG A 18 19.363 7.596 -1.021 1.00 0.00 C ATOM 266 CG ARG A 18 19.794 6.129 -0.799 1.00 0.00 C ATOM 267 CD ARG A 18 20.571 5.900 0.510 1.00 0.00 C ATOM 268 NE ARG A 18 19.721 6.002 1.709 1.00 0.00 N ATOM 269 CZ ARG A 18 20.150 5.818 2.971 1.00 0.00 C ATOM 270 NH1 ARG A 18 21.440 5.632 3.235 1.00 0.00 N ATOM 271 NH2 ARG A 18 19.288 5.850 3.969 1.00 0.00 N ATOM 0 H ARG A 18 20.549 7.536 -3.301 1.00 0.00 H new ATOM 0 HA ARG A 18 17.735 7.279 -2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.240 8.239 -0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.683 7.892 -0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.907 5.496 -0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 18 20.413 5.811 -1.638 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.035 4.914 0.483 1.00 0.00 H new ATOM 0 HD3 ARG A 18 21.377 6.630 0.580 1.00 0.00 H new ATOM 0 HE ARG A 18 18.736 6.229 1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.121 5.627 2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 18 21.749 5.494 4.197 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.299 6.014 3.783 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.611 5.711 4.926 1.00 0.00 H new ATOM 285 N ASN A 19 18.422 9.834 -3.830 1.00 0.00 N ATOM 286 CA ASN A 19 18.025 11.216 -4.156 1.00 0.00 C ATOM 287 C ASN A 19 16.488 11.305 -4.152 1.00 0.00 C ATOM 288 O ASN A 19 15.838 10.985 -5.155 1.00 0.00 O ATOM 289 CB ASN A 19 18.605 11.662 -5.528 1.00 0.00 C ATOM 290 CG ASN A 19 18.262 13.121 -5.877 1.00 0.00 C ATOM 291 OD1 ASN A 19 17.261 13.397 -6.530 1.00 0.00 O ATOM 292 ND2 ASN A 19 19.077 14.061 -5.421 1.00 0.00 N ATOM 0 H ASN A 19 18.783 9.306 -4.625 1.00 0.00 H new ATOM 0 HA ASN A 19 18.431 11.893 -3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 19 19.688 11.542 -5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.221 11.007 -6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 19 18.879 15.043 -5.610 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.902 13.802 -4.881 1.00 0.00 H new ATOM 299 N TRP A 20 15.931 11.732 -3.002 1.00 0.00 N ATOM 300 CA TRP A 20 14.473 11.707 -2.728 1.00 0.00 C ATOM 301 C TRP A 20 13.672 12.505 -3.769 1.00 0.00 C ATOM 302 O TRP A 20 12.510 12.207 -4.008 1.00 0.00 O ATOM 303 CB TRP A 20 14.171 12.249 -1.304 1.00 0.00 C ATOM 304 CG TRP A 20 15.050 11.668 -0.211 1.00 0.00 C ATOM 305 CD1 TRP A 20 15.841 12.370 0.667 1.00 0.00 C ATOM 306 CD2 TRP A 20 15.260 10.274 0.098 1.00 0.00 C ATOM 307 NE1 TRP A 20 16.507 11.508 1.496 1.00 0.00 N ATOM 308 CE2 TRP A 20 16.175 10.220 1.165 1.00 0.00 C ATOM 309 CE3 TRP A 20 14.761 9.067 -0.422 1.00 0.00 C ATOM 310 CZ2 TRP A 20 16.603 9.016 1.720 1.00 0.00 C ATOM 311 CZ3 TRP A 20 15.190 7.874 0.129 1.00 0.00 C ATOM 312 CH2 TRP A 20 16.106 7.859 1.189 1.00 0.00 C ATOM 0 H TRP A 20 16.480 12.107 -2.229 1.00 0.00 H new ATOM 0 HA TRP A 20 14.159 10.665 -2.792 1.00 0.00 H new ATOM 0 HB2 TRP A 20 14.287 13.333 -1.309 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.128 12.041 -1.063 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.925 13.446 0.698 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.148 11.781 2.241 1.00 0.00 H new ATOM 0 HE3 TRP A 20 14.054 9.072 -1.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.304 8.998 2.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.814 6.941 -0.263 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.427 6.911 1.596 1.00 0.00 H new ATOM 323 N SER A 21 14.315 13.522 -4.364 1.00 0.00 N ATOM 324 CA SER A 21 13.720 14.354 -5.420 1.00 0.00 C ATOM 325 C SER A 21 13.432 13.522 -6.682 1.00 0.00 C ATOM 326 O SER A 21 12.316 13.545 -7.211 1.00 0.00 O ATOM 327 CB SER A 21 14.676 15.516 -5.737 1.00 0.00 C ATOM 328 OG SER A 21 15.011 16.223 -4.554 1.00 0.00 O ATOM 0 H SER A 21 15.269 13.791 -4.124 1.00 0.00 H new ATOM 0 HA SER A 21 12.768 14.752 -5.070 1.00 0.00 H new ATOM 0 HB2 SER A 21 15.582 15.131 -6.206 1.00 0.00 H new ATOM 0 HB3 SER A 21 14.209 16.193 -6.452 1.00 0.00 H new ATOM 0 HG SER A 21 15.621 16.958 -4.774 1.00 0.00 H new ATOM 334 N ALA A 22 14.447 12.759 -7.115 1.00 0.00 N ATOM 335 CA ALA A 22 14.372 11.922 -8.326 1.00 0.00 C ATOM 336 C ALA A 22 13.369 10.772 -8.138 1.00 0.00 C ATOM 337 O ALA A 22 12.578 10.475 -9.041 1.00 0.00 O ATOM 338 CB ALA A 22 15.760 11.368 -8.681 1.00 0.00 C ATOM 0 H ALA A 22 15.346 12.704 -6.635 1.00 0.00 H new ATOM 0 HA ALA A 22 14.023 12.546 -9.149 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.688 10.752 -9.577 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.446 12.195 -8.863 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.133 10.763 -7.854 1.00 0.00 H new ATOM 344 N ILE A 23 13.399 10.151 -6.943 1.00 0.00 N ATOM 345 CA ILE A 23 12.534 8.996 -6.613 1.00 0.00 C ATOM 346 C ILE A 23 11.072 9.451 -6.541 1.00 0.00 C ATOM 347 O ILE A 23 10.208 8.872 -7.168 1.00 0.00 O ATOM 348 CB ILE A 23 12.930 8.312 -5.246 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.471 8.115 -5.136 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.188 6.959 -5.064 1.00 0.00 C ATOM 351 CD1 ILE A 23 15.096 7.342 -6.275 1.00 0.00 C ATOM 0 H ILE A 23 14.018 10.431 -6.182 1.00 0.00 H new ATOM 0 HA ILE A 23 12.670 8.258 -7.404 1.00 0.00 H new ATOM 0 HB ILE A 23 12.621 8.980 -4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 23 14.945 9.095 -5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.691 7.599 -4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.479 6.509 -4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.112 7.131 -5.069 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.452 6.286 -5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.170 7.256 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.656 6.346 -6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.913 7.866 -7.213 1.00 0.00 H new ATOM 363 N ALA A 24 10.830 10.533 -5.803 1.00 0.00 N ATOM 364 CA ALA A 24 9.480 11.096 -5.599 1.00 0.00 C ATOM 365 C ALA A 24 8.898 11.712 -6.883 1.00 0.00 C ATOM 366 O ALA A 24 7.707 11.995 -6.941 1.00 0.00 O ATOM 367 CB ALA A 24 9.497 12.125 -4.477 1.00 0.00 C ATOM 0 H ALA A 24 11.564 11.053 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 24 8.829 10.268 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.494 12.530 -4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.826 11.650 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.182 12.932 -4.734 1.00 0.00 H new ATOM 373 N ARG A 25 9.766 12.027 -7.851 1.00 0.00 N ATOM 374 CA ARG A 25 9.343 12.448 -9.203 1.00 0.00 C ATOM 375 C ARG A 25 9.038 11.215 -10.091 1.00 0.00 C ATOM 376 O ARG A 25 8.173 11.265 -10.973 1.00 0.00 O ATOM 377 CB ARG A 25 10.437 13.342 -9.837 1.00 0.00 C ATOM 378 CG ARG A 25 10.056 13.977 -11.193 1.00 0.00 C ATOM 379 CD ARG A 25 11.042 15.081 -11.610 1.00 0.00 C ATOM 380 NE ARG A 25 11.066 16.181 -10.625 1.00 0.00 N ATOM 381 CZ ARG A 25 12.054 17.070 -10.462 1.00 0.00 C ATOM 382 NH1 ARG A 25 13.160 17.013 -11.192 1.00 0.00 N ATOM 383 NH2 ARG A 25 11.921 18.022 -9.553 1.00 0.00 N ATOM 0 H ARG A 25 10.778 11.999 -7.726 1.00 0.00 H new ATOM 0 HA ARG A 25 8.424 13.029 -9.125 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.685 14.139 -9.136 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.339 12.745 -9.973 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.031 13.204 -11.961 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.051 14.394 -11.128 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.042 14.659 -11.711 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.761 15.472 -12.588 1.00 0.00 H new ATOM 0 HE ARG A 25 10.255 16.272 -10.013 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.270 16.282 -11.894 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.900 17.701 -11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.074 18.072 -8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.666 18.706 -9.418 1.00 0.00 H new ATOM 397 N MET A 26 9.765 10.115 -9.845 1.00 0.00 N ATOM 398 CA MET A 26 9.650 8.867 -10.624 1.00 0.00 C ATOM 399 C MET A 26 8.401 8.057 -10.211 1.00 0.00 C ATOM 400 O MET A 26 7.498 7.837 -11.018 1.00 0.00 O ATOM 401 CB MET A 26 10.948 8.036 -10.417 1.00 0.00 C ATOM 402 CG MET A 26 10.979 6.662 -11.090 1.00 0.00 C ATOM 403 SD MET A 26 12.564 5.830 -10.847 1.00 0.00 S ATOM 404 CE MET A 26 12.248 4.235 -11.595 1.00 0.00 C ATOM 0 H MET A 26 10.455 10.063 -9.095 1.00 0.00 H new ATOM 0 HA MET A 26 9.532 9.109 -11.680 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.792 8.619 -10.787 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.101 7.898 -9.347 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.178 6.042 -10.687 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.788 6.776 -12.157 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.115 3.590 -11.456 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.377 3.779 -11.125 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.059 4.364 -12.661 1.00 0.00 H new ATOM 414 N VAL A 27 8.370 7.627 -8.939 1.00 0.00 N ATOM 415 CA VAL A 27 7.294 6.789 -8.381 1.00 0.00 C ATOM 416 C VAL A 27 6.121 7.637 -7.831 1.00 0.00 C ATOM 417 O VAL A 27 4.949 7.277 -8.012 1.00 0.00 O ATOM 418 CB VAL A 27 7.861 5.805 -7.280 1.00 0.00 C ATOM 419 CG1 VAL A 27 8.973 4.905 -7.878 1.00 0.00 C ATOM 420 CG2 VAL A 27 8.396 6.548 -6.026 1.00 0.00 C ATOM 0 H VAL A 27 9.098 7.853 -8.262 1.00 0.00 H new ATOM 0 HA VAL A 27 6.892 6.189 -9.197 1.00 0.00 H new ATOM 0 HB VAL A 27 7.025 5.186 -6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.352 4.234 -7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.563 4.318 -8.700 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.787 5.529 -8.248 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.772 5.822 -5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.203 7.220 -6.318 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.589 7.124 -5.573 1.00 0.00 H new ATOM 430 N GLY A 28 6.457 8.762 -7.160 1.00 0.00 N ATOM 431 CA GLY A 28 5.457 9.664 -6.566 1.00 0.00 C ATOM 432 C GLY A 28 4.849 10.624 -7.591 1.00 0.00 C ATOM 433 O GLY A 28 3.655 10.923 -7.536 1.00 0.00 O ATOM 0 H GLY A 28 7.421 9.064 -7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.662 9.072 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.922 10.240 -5.766 1.00 0.00 H new ATOM 437 N SER A 29 5.719 11.122 -8.505 1.00 0.00 N ATOM 438 CA SER A 29 5.371 12.033 -9.621 1.00 0.00 C ATOM 439 C SER A 29 4.819 13.402 -9.131 1.00 0.00 C ATOM 440 O SER A 29 4.097 14.086 -9.873 1.00 0.00 O ATOM 441 CB SER A 29 4.406 11.318 -10.611 1.00 0.00 C ATOM 442 OG SER A 29 4.248 12.043 -11.822 1.00 0.00 O ATOM 0 H SER A 29 6.713 10.893 -8.484 1.00 0.00 H new ATOM 0 HA SER A 29 6.289 12.273 -10.157 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.788 10.322 -10.833 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.433 11.188 -10.137 1.00 0.00 H new ATOM 0 HG SER A 29 4.153 12.998 -11.622 1.00 0.00 H new ATOM 448 N LYS A 30 5.211 13.848 -7.909 1.00 0.00 N ATOM 449 CA LYS A 30 4.679 15.115 -7.346 1.00 0.00 C ATOM 450 C LYS A 30 5.683 15.828 -6.407 1.00 0.00 C ATOM 451 O LYS A 30 6.291 16.829 -6.793 1.00 0.00 O ATOM 452 CB LYS A 30 3.315 14.857 -6.628 1.00 0.00 C ATOM 453 CG LYS A 30 2.522 16.127 -6.234 1.00 0.00 C ATOM 454 CD LYS A 30 2.118 17.023 -7.442 1.00 0.00 C ATOM 455 CE LYS A 30 1.064 16.390 -8.389 1.00 0.00 C ATOM 456 NZ LYS A 30 1.571 15.230 -9.174 1.00 0.00 N ATOM 0 H LYS A 30 5.877 13.362 -7.308 1.00 0.00 H new ATOM 0 HA LYS A 30 4.516 15.795 -8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.690 14.247 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.503 14.272 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.620 15.828 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.122 16.717 -5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.727 17.967 -7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.012 17.257 -8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.207 16.068 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.706 17.154 -9.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.223 15.294 -10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.611 15.239 -9.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.233 14.345 -8.744 1.00 0.00 H new ATOM 470 N THR A 31 5.872 15.300 -5.186 1.00 0.00 N ATOM 471 CA THR A 31 6.540 16.023 -4.076 1.00 0.00 C ATOM 472 C THR A 31 7.657 15.175 -3.439 1.00 0.00 C ATOM 473 O THR A 31 7.454 13.995 -3.174 1.00 0.00 O ATOM 474 CB THR A 31 5.469 16.403 -2.993 1.00 0.00 C ATOM 475 OG1 THR A 31 4.475 17.262 -3.581 1.00 0.00 O ATOM 476 CG2 THR A 31 6.071 17.098 -1.756 1.00 0.00 C ATOM 0 H THR A 31 5.568 14.359 -4.934 1.00 0.00 H new ATOM 0 HA THR A 31 7.002 16.925 -4.479 1.00 0.00 H new ATOM 0 HB THR A 31 5.026 15.468 -2.650 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.805 17.498 -2.905 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.276 17.333 -1.048 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.795 16.435 -1.282 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.568 18.018 -2.062 1.00 0.00 H new ATOM 484 N VAL A 32 8.804 15.829 -3.141 1.00 0.00 N ATOM 485 CA VAL A 32 10.019 15.179 -2.572 1.00 0.00 C ATOM 486 C VAL A 32 9.722 14.531 -1.198 1.00 0.00 C ATOM 487 O VAL A 32 10.237 13.443 -0.882 1.00 0.00 O ATOM 488 CB VAL A 32 11.205 16.211 -2.443 1.00 0.00 C ATOM 489 CG1 VAL A 32 12.507 15.553 -1.906 1.00 0.00 C ATOM 490 CG2 VAL A 32 11.459 16.932 -3.789 1.00 0.00 C ATOM 0 H VAL A 32 8.918 16.832 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 32 10.318 14.390 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 32 10.901 16.955 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.293 16.305 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.320 15.130 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.822 14.762 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.281 17.638 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.716 16.198 -4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.559 17.469 -4.090 1.00 0.00 H new ATOM 500 N SER A 33 8.849 15.202 -0.416 1.00 0.00 N ATOM 501 CA SER A 33 8.416 14.744 0.919 1.00 0.00 C ATOM 502 C SER A 33 7.707 13.373 0.873 1.00 0.00 C ATOM 503 O SER A 33 7.695 12.668 1.881 1.00 0.00 O ATOM 504 CB SER A 33 7.488 15.797 1.576 1.00 0.00 C ATOM 505 OG SER A 33 8.148 17.043 1.762 1.00 0.00 O ATOM 0 H SER A 33 8.422 16.085 -0.698 1.00 0.00 H new ATOM 0 HA SER A 33 9.317 14.624 1.520 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.606 15.943 0.953 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.140 15.423 2.539 1.00 0.00 H new ATOM 0 HG SER A 33 7.531 17.681 2.177 1.00 0.00 H new ATOM 511 N GLN A 34 7.125 12.991 -0.292 1.00 0.00 N ATOM 512 CA GLN A 34 6.427 11.688 -0.432 1.00 0.00 C ATOM 513 C GLN A 34 7.400 10.523 -0.183 1.00 0.00 C ATOM 514 O GLN A 34 7.134 9.674 0.655 1.00 0.00 O ATOM 515 CB GLN A 34 5.787 11.512 -1.831 1.00 0.00 C ATOM 516 CG GLN A 34 4.726 12.550 -2.214 1.00 0.00 C ATOM 517 CD GLN A 34 4.114 12.268 -3.590 1.00 0.00 C ATOM 518 OE1 GLN A 34 4.640 12.690 -4.609 1.00 0.00 O ATOM 519 NE2 GLN A 34 3.003 11.548 -3.622 1.00 0.00 N ATOM 0 H GLN A 34 7.125 13.560 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 34 5.632 11.680 0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.580 11.538 -2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.334 10.522 -1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.937 12.556 -1.461 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.175 13.543 -2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.589 11.210 -2.753 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.562 11.331 -4.516 1.00 0.00 H new ATOM 528 N CYS A 35 8.537 10.526 -0.910 1.00 0.00 N ATOM 529 CA CYS A 35 9.556 9.451 -0.820 1.00 0.00 C ATOM 530 C CYS A 35 10.328 9.524 0.508 1.00 0.00 C ATOM 531 O CYS A 35 10.820 8.506 1.010 1.00 0.00 O ATOM 532 CB CYS A 35 10.545 9.529 -1.999 1.00 0.00 C ATOM 533 SG CYS A 35 11.822 8.251 -1.973 1.00 0.00 S ATOM 0 H CYS A 35 8.776 11.265 -1.571 1.00 0.00 H new ATOM 0 HA CYS A 35 9.027 8.499 -0.864 1.00 0.00 H new ATOM 0 HB2 CYS A 35 9.988 9.453 -2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 35 11.025 10.508 -1.993 1.00 0.00 H new ATOM 0 HG CYS A 35 12.638 8.473 -0.985 1.00 0.00 H new ATOM 539 N LYS A 36 10.421 10.744 1.063 1.00 0.00 N ATOM 540 CA LYS A 36 11.125 11.007 2.330 1.00 0.00 C ATOM 541 C LYS A 36 10.346 10.334 3.494 1.00 0.00 C ATOM 542 O LYS A 36 10.919 9.593 4.288 1.00 0.00 O ATOM 543 CB LYS A 36 11.261 12.558 2.537 1.00 0.00 C ATOM 544 CG LYS A 36 12.477 13.051 3.370 1.00 0.00 C ATOM 545 CD LYS A 36 12.485 12.599 4.855 1.00 0.00 C ATOM 546 CE LYS A 36 11.245 13.058 5.649 1.00 0.00 C ATOM 547 NZ LYS A 36 11.056 14.529 5.610 1.00 0.00 N ATOM 0 H LYS A 36 10.009 11.578 0.645 1.00 0.00 H new ATOM 0 HA LYS A 36 12.129 10.584 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.309 13.029 1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.352 12.917 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.391 12.697 2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.502 14.140 3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.549 11.512 4.894 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.380 12.988 5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.358 12.570 5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.342 12.735 6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.240 14.790 6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.910 14.998 5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.885 14.831 4.630 1.00 0.00 H new ATOM 561 N ASN A 37 9.028 10.608 3.555 1.00 0.00 N ATOM 562 CA ASN A 37 8.129 10.087 4.615 1.00 0.00 C ATOM 563 C ASN A 37 7.863 8.586 4.403 1.00 0.00 C ATOM 564 O ASN A 37 7.740 7.824 5.367 1.00 0.00 O ATOM 565 CB ASN A 37 6.796 10.887 4.636 1.00 0.00 C ATOM 566 CG ASN A 37 6.983 12.383 4.930 1.00 0.00 C ATOM 567 OD1 ASN A 37 7.905 12.786 5.637 1.00 0.00 O ATOM 568 ND2 ASN A 37 6.115 13.219 4.371 1.00 0.00 N ATOM 0 H ASN A 37 8.552 11.197 2.872 1.00 0.00 H new ATOM 0 HA ASN A 37 8.618 10.213 5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.298 10.774 3.673 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.135 10.457 5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.204 14.224 4.524 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.360 12.856 3.789 1.00 0.00 H new ATOM 575 N PHE A 38 7.789 8.189 3.114 1.00 0.00 N ATOM 576 CA PHE A 38 7.738 6.769 2.658 1.00 0.00 C ATOM 577 C PHE A 38 8.871 5.948 3.286 1.00 0.00 C ATOM 578 O PHE A 38 8.681 4.793 3.664 1.00 0.00 O ATOM 579 CB PHE A 38 7.828 6.735 1.097 1.00 0.00 C ATOM 580 CG PHE A 38 8.265 5.423 0.443 1.00 0.00 C ATOM 581 CD1 PHE A 38 7.393 4.346 0.320 1.00 0.00 C ATOM 582 CD2 PHE A 38 9.563 5.276 -0.067 1.00 0.00 C ATOM 583 CE1 PHE A 38 7.799 3.169 -0.284 1.00 0.00 C ATOM 584 CE2 PHE A 38 9.966 4.100 -0.670 1.00 0.00 C ATOM 585 CZ PHE A 38 9.083 3.045 -0.778 1.00 0.00 C ATOM 0 H PHE A 38 7.762 8.854 2.341 1.00 0.00 H new ATOM 0 HA PHE A 38 6.797 6.322 2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.849 7.000 0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.522 7.515 0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.386 4.430 0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.260 6.097 0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.108 2.343 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 38 10.970 4.007 -1.056 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.395 2.124 -1.248 1.00 0.00 H new ATOM 595 N TYR A 39 10.039 6.585 3.412 1.00 0.00 N ATOM 596 CA TYR A 39 11.262 5.939 3.905 1.00 0.00 C ATOM 597 C TYR A 39 11.192 5.660 5.427 1.00 0.00 C ATOM 598 O TYR A 39 11.993 4.888 5.945 1.00 0.00 O ATOM 599 CB TYR A 39 12.495 6.813 3.551 1.00 0.00 C ATOM 600 CG TYR A 39 13.793 6.018 3.436 1.00 0.00 C ATOM 601 CD1 TYR A 39 13.961 5.116 2.386 1.00 0.00 C ATOM 602 CD2 TYR A 39 14.837 6.153 4.358 1.00 0.00 C ATOM 603 CE1 TYR A 39 15.119 4.379 2.255 1.00 0.00 C ATOM 604 CE2 TYR A 39 16.002 5.414 4.229 1.00 0.00 C ATOM 605 CZ TYR A 39 16.139 4.530 3.178 1.00 0.00 C ATOM 606 OH TYR A 39 17.304 3.802 3.044 1.00 0.00 O ATOM 0 H TYR A 39 10.165 7.569 3.174 1.00 0.00 H new ATOM 0 HA TYR A 39 11.360 4.972 3.413 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.308 7.326 2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.616 7.582 4.314 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.169 4.992 1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.733 6.843 5.182 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.230 3.686 1.434 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.800 5.529 4.948 1.00 0.00 H new ATOM 0 HH TYR A 39 17.604 3.500 3.927 1.00 0.00 H new ATOM 616 N PHE A 40 10.256 6.328 6.138 1.00 0.00 N ATOM 617 CA PHE A 40 10.015 6.108 7.584 1.00 0.00 C ATOM 618 C PHE A 40 8.906 5.052 7.816 1.00 0.00 C ATOM 619 O PHE A 40 8.921 4.357 8.840 1.00 0.00 O ATOM 620 CB PHE A 40 9.671 7.452 8.293 1.00 0.00 C ATOM 621 CG PHE A 40 10.877 8.375 8.468 1.00 0.00 C ATOM 622 CD1 PHE A 40 11.414 9.064 7.384 1.00 0.00 C ATOM 623 CD2 PHE A 40 11.487 8.536 9.716 1.00 0.00 C ATOM 624 CE1 PHE A 40 12.516 9.886 7.537 1.00 0.00 C ATOM 625 CE2 PHE A 40 12.592 9.355 9.868 1.00 0.00 C ATOM 626 CZ PHE A 40 13.106 10.030 8.779 1.00 0.00 C ATOM 0 H PHE A 40 9.646 7.035 5.727 1.00 0.00 H new ATOM 0 HA PHE A 40 10.933 5.718 8.023 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.906 7.972 7.717 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.242 7.238 9.272 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.963 8.955 6.409 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.090 8.014 10.574 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.916 10.416 6.685 1.00 0.00 H new ATOM 0 HE2 PHE A 40 13.052 9.466 10.839 1.00 0.00 H new ATOM 0 HZ PHE A 40 13.968 10.670 8.897 1.00 0.00 H new ATOM 770 N LEU A 48 16.773 -2.935 1.321 1.00 0.00 N ATOM 771 CA LEU A 48 17.031 -1.680 0.572 1.00 0.00 C ATOM 772 C LEU A 48 18.467 -1.164 0.821 1.00 0.00 C ATOM 773 O LEU A 48 19.097 -0.600 -0.084 1.00 0.00 O ATOM 774 CB LEU A 48 15.938 -0.624 0.945 1.00 0.00 C ATOM 775 CG LEU A 48 15.772 0.638 0.021 1.00 0.00 C ATOM 776 CD1 LEU A 48 16.794 1.750 0.332 1.00 0.00 C ATOM 777 CD2 LEU A 48 15.815 0.238 -1.467 1.00 0.00 C ATOM 0 HA LEU A 48 16.964 -1.873 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.978 -1.138 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.148 -0.271 1.955 1.00 0.00 H new ATOM 0 HG LEU A 48 14.790 1.058 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.629 2.594 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.673 2.077 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.804 1.366 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.698 1.127 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.771 -0.236 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.006 -0.461 -1.679 1.00 0.00 H new ATOM 789 N ASP A 49 18.973 -1.387 2.044 1.00 0.00 N ATOM 790 CA ASP A 49 20.369 -1.040 2.427 1.00 0.00 C ATOM 791 C ASP A 49 21.372 -1.799 1.546 1.00 0.00 C ATOM 792 O ASP A 49 22.365 -1.230 1.066 1.00 0.00 O ATOM 793 CB ASP A 49 20.607 -1.379 3.921 1.00 0.00 C ATOM 794 CG ASP A 49 22.026 -1.050 4.447 1.00 0.00 C ATOM 795 OD1 ASP A 49 22.264 0.097 4.878 1.00 0.00 O ATOM 796 OD2 ASP A 49 22.905 -1.942 4.447 1.00 0.00 O ATOM 0 H ASP A 49 18.435 -1.811 2.800 1.00 0.00 H new ATOM 0 HA ASP A 49 20.517 0.029 2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.878 -0.836 4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 49 20.417 -2.442 4.072 1.00 0.00 H new ATOM 801 N GLU A 50 21.075 -3.091 1.339 1.00 0.00 N ATOM 802 CA GLU A 50 21.879 -3.980 0.494 1.00 0.00 C ATOM 803 C GLU A 50 21.744 -3.596 -0.998 1.00 0.00 C ATOM 804 O GLU A 50 22.720 -3.659 -1.735 1.00 0.00 O ATOM 805 CB GLU A 50 21.472 -5.460 0.728 1.00 0.00 C ATOM 806 CG GLU A 50 22.312 -6.507 -0.040 1.00 0.00 C ATOM 807 CD GLU A 50 23.790 -6.587 0.395 1.00 0.00 C ATOM 808 OE1 GLU A 50 24.595 -5.715 0.001 1.00 0.00 O ATOM 809 OE2 GLU A 50 24.157 -7.538 1.118 1.00 0.00 O ATOM 0 H GLU A 50 20.265 -3.549 1.757 1.00 0.00 H new ATOM 0 HA GLU A 50 22.927 -3.865 0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 50 21.542 -5.674 1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 50 20.426 -5.581 0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 50 21.855 -7.488 0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 50 22.272 -6.276 -1.104 1.00 0.00 H new ATOM 816 N ILE A 51 20.529 -3.179 -1.426 1.00 0.00 N ATOM 817 CA ILE A 51 20.267 -2.720 -2.821 1.00 0.00 C ATOM 818 C ILE A 51 21.200 -1.546 -3.190 1.00 0.00 C ATOM 819 O ILE A 51 21.795 -1.521 -4.276 1.00 0.00 O ATOM 820 CB ILE A 51 18.750 -2.296 -3.016 1.00 0.00 C ATOM 821 CG1 ILE A 51 17.806 -3.537 -2.916 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.505 -1.519 -4.344 1.00 0.00 C ATOM 823 CD1 ILE A 51 16.314 -3.213 -2.948 1.00 0.00 C ATOM 0 H ILE A 51 19.706 -3.149 -0.824 1.00 0.00 H new ATOM 0 HA ILE A 51 20.472 -3.557 -3.488 1.00 0.00 H new ATOM 0 HB ILE A 51 18.513 -1.609 -2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.033 -4.216 -3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.028 -4.070 -1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.450 -1.256 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.107 -0.611 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 51 18.786 -2.147 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.739 -4.136 -2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.065 -2.562 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.071 -2.709 -3.884 1.00 0.00 H new ATOM 835 N LEU A 52 21.338 -0.603 -2.249 1.00 0.00 N ATOM 836 CA LEU A 52 22.153 0.615 -2.430 1.00 0.00 C ATOM 837 C LEU A 52 23.659 0.321 -2.330 1.00 0.00 C ATOM 838 O LEU A 52 24.456 0.923 -3.059 1.00 0.00 O ATOM 839 CB LEU A 52 21.718 1.712 -1.407 1.00 0.00 C ATOM 840 CG LEU A 52 20.643 2.713 -1.914 1.00 0.00 C ATOM 841 CD1 LEU A 52 21.194 3.552 -3.085 1.00 0.00 C ATOM 842 CD2 LEU A 52 19.330 1.999 -2.295 1.00 0.00 C ATOM 0 H LEU A 52 20.887 -0.660 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 52 21.975 0.990 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 52 21.337 1.219 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.602 2.276 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 52 20.405 3.391 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.427 4.247 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.068 4.111 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 52 21.476 2.891 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 52 18.605 2.734 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 52 19.525 1.277 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 52 18.931 1.481 -1.423 1.00 0.00 H new ATOM 854 N GLN A 53 24.035 -0.605 -1.432 1.00 0.00 N ATOM 855 CA GLN A 53 25.446 -0.982 -1.229 1.00 0.00 C ATOM 856 C GLN A 53 25.977 -1.737 -2.458 1.00 0.00 C ATOM 857 O GLN A 53 27.099 -1.497 -2.906 1.00 0.00 O ATOM 858 CB GLN A 53 25.623 -1.835 0.054 1.00 0.00 C ATOM 859 CG GLN A 53 27.097 -2.171 0.382 1.00 0.00 C ATOM 860 CD GLN A 53 27.985 -0.928 0.581 1.00 0.00 C ATOM 861 OE1 GLN A 53 27.525 0.118 1.049 1.00 0.00 O ATOM 862 NE2 GLN A 53 29.257 -1.035 0.222 1.00 0.00 N ATOM 0 H GLN A 53 23.380 -1.108 -0.833 1.00 0.00 H new ATOM 0 HA GLN A 53 26.025 -0.067 -1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.186 -1.301 0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 53 25.065 -2.764 -0.059 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.130 -2.779 1.286 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.511 -2.777 -0.424 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.607 -1.913 -0.162 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.886 -0.239 0.329 1.00 0.00 H new ATOM 871 N GLN A 54 25.141 -2.638 -2.993 1.00 0.00 N ATOM 872 CA GLN A 54 25.444 -3.387 -4.221 1.00 0.00 C ATOM 873 C GLN A 54 25.524 -2.430 -5.425 1.00 0.00 C ATOM 874 O GLN A 54 26.440 -2.536 -6.228 1.00 0.00 O ATOM 875 CB GLN A 54 24.397 -4.506 -4.463 1.00 0.00 C ATOM 876 CG GLN A 54 24.466 -5.670 -3.450 1.00 0.00 C ATOM 877 CD GLN A 54 25.796 -6.434 -3.470 1.00 0.00 C ATOM 878 OE1 GLN A 54 26.456 -6.541 -4.506 1.00 0.00 O ATOM 879 NE2 GLN A 54 26.193 -6.984 -2.330 1.00 0.00 N ATOM 0 H GLN A 54 24.235 -2.868 -2.586 1.00 0.00 H new ATOM 0 HA GLN A 54 26.415 -3.867 -4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 54 23.399 -4.068 -4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 54 24.535 -4.905 -5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.300 -5.276 -2.447 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.654 -6.368 -3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 54 25.626 -6.879 -1.488 1.00 0.00 H new ATOM 0 HE22 GLN A 54 27.065 -7.512 -2.295 1.00 0.00 H new ATOM 888 N HIS A 55 24.575 -1.472 -5.506 1.00 0.00 N ATOM 889 CA HIS A 55 24.581 -0.409 -6.546 1.00 0.00 C ATOM 890 C HIS A 55 25.911 0.368 -6.528 1.00 0.00 C ATOM 891 O HIS A 55 26.452 0.729 -7.584 1.00 0.00 O ATOM 892 CB HIS A 55 23.382 0.560 -6.338 1.00 0.00 C ATOM 893 CG HIS A 55 23.480 1.858 -7.103 1.00 0.00 C ATOM 894 ND1 HIS A 55 23.546 1.927 -8.482 1.00 0.00 N ATOM 895 CD2 HIS A 55 23.575 3.140 -6.666 1.00 0.00 C ATOM 896 CE1 HIS A 55 23.676 3.186 -8.857 1.00 0.00 C ATOM 897 NE2 HIS A 55 23.696 3.940 -7.777 1.00 0.00 N ATOM 0 H HIS A 55 23.788 -1.410 -4.860 1.00 0.00 H new ATOM 0 HA HIS A 55 24.479 -0.885 -7.521 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.465 0.049 -6.631 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.295 0.786 -5.275 1.00 0.00 H new ATOM 0 HD2 HIS A 55 23.559 3.469 -5.638 1.00 0.00 H new ATOM 0 HE1 HIS A 55 23.753 3.538 -9.875 1.00 0.00 H new ATOM 0 HE2 HIS A 55 23.787 4.956 -7.767 1.00 0.00 H new ATOM 906 N LYS A 56 26.418 0.617 -5.314 1.00 0.00 N ATOM 907 CA LYS A 56 27.685 1.318 -5.108 1.00 0.00 C ATOM 908 C LYS A 56 28.855 0.493 -5.683 1.00 0.00 C ATOM 909 O LYS A 56 29.483 0.910 -6.660 1.00 0.00 O ATOM 910 CB LYS A 56 27.896 1.593 -3.596 1.00 0.00 C ATOM 911 CG LYS A 56 29.197 2.356 -3.243 1.00 0.00 C ATOM 912 CD LYS A 56 29.444 2.436 -1.717 1.00 0.00 C ATOM 913 CE LYS A 56 30.685 3.274 -1.356 1.00 0.00 C ATOM 914 NZ LYS A 56 30.952 3.272 0.107 1.00 0.00 N ATOM 0 H LYS A 56 25.958 0.336 -4.448 1.00 0.00 H new ATOM 0 HA LYS A 56 27.653 2.272 -5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 56 27.046 2.165 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 56 27.896 0.641 -3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 56 30.044 1.862 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 56 29.145 3.365 -3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 56 28.567 2.867 -1.234 1.00 0.00 H new ATOM 0 HD3 LYS A 56 29.564 1.428 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.554 2.881 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 56 30.542 4.299 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 31.795 3.847 0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 30.134 3.671 0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.114 2.296 0.429 1.00 0.00 H new ATOM 928 N LEU A 57 29.056 -0.718 -5.125 1.00 0.00 N ATOM 929 CA LEU A 57 30.277 -1.522 -5.353 1.00 0.00 C ATOM 930 C LEU A 57 30.354 -2.112 -6.778 1.00 0.00 C ATOM 931 O LEU A 57 31.445 -2.199 -7.336 1.00 0.00 O ATOM 932 CB LEU A 57 30.421 -2.615 -4.241 1.00 0.00 C ATOM 933 CG LEU A 57 29.245 -3.647 -4.049 1.00 0.00 C ATOM 934 CD1 LEU A 57 29.305 -4.820 -5.046 1.00 0.00 C ATOM 935 CD2 LEU A 57 29.178 -4.168 -2.592 1.00 0.00 C ATOM 0 H LEU A 57 28.380 -1.166 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 57 31.132 -0.850 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 57 31.329 -3.181 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 57 30.573 -2.104 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 57 28.327 -3.099 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 57 28.470 -5.496 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 57 29.245 -4.436 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 57 30.243 -5.360 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 57 28.356 -4.877 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 57 30.115 -4.663 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 57 29.016 -3.331 -1.913 1.00 0.00 H new ATOM 947 N LYS A 58 29.195 -2.492 -7.362 1.00 0.00 N ATOM 948 CA LYS A 58 29.131 -3.127 -8.710 1.00 0.00 C ATOM 949 C LYS A 58 29.652 -2.172 -9.791 1.00 0.00 C ATOM 950 O LYS A 58 30.533 -2.530 -10.580 1.00 0.00 O ATOM 951 CB LYS A 58 27.680 -3.573 -9.059 1.00 0.00 C ATOM 952 CG LYS A 58 27.155 -4.791 -8.259 1.00 0.00 C ATOM 953 CD LYS A 58 25.646 -5.039 -8.492 1.00 0.00 C ATOM 954 CE LYS A 58 25.111 -6.270 -7.744 1.00 0.00 C ATOM 955 NZ LYS A 58 23.644 -6.419 -7.921 1.00 0.00 N ATOM 0 H LYS A 58 28.283 -2.371 -6.922 1.00 0.00 H new ATOM 0 HA LYS A 58 29.768 -4.011 -8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 58 27.008 -2.731 -8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 58 27.635 -3.810 -10.122 1.00 0.00 H new ATOM 0 HG2 LYS A 58 27.716 -5.681 -8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 58 27.335 -4.630 -7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.087 -4.159 -8.176 1.00 0.00 H new ATOM 0 HD3 LYS A 58 25.466 -5.164 -9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 58 25.615 -7.165 -8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.343 -6.182 -6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.315 -7.259 -7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 23.162 -5.575 -7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 23.426 -6.528 -8.932 1.00 0.00 H new ATOM 969 N MET A 59 29.101 -0.951 -9.793 1.00 0.00 N ATOM 970 CA MET A 59 29.476 0.093 -10.759 1.00 0.00 C ATOM 971 C MET A 59 30.908 0.595 -10.484 1.00 0.00 C ATOM 972 O MET A 59 31.703 0.757 -11.408 1.00 0.00 O ATOM 973 CB MET A 59 28.454 1.264 -10.708 1.00 0.00 C ATOM 974 CG MET A 59 28.745 2.423 -11.681 1.00 0.00 C ATOM 975 SD MET A 59 28.852 1.895 -13.414 1.00 0.00 S ATOM 976 CE MET A 59 27.193 1.278 -13.730 1.00 0.00 C ATOM 0 H MET A 59 28.385 -0.659 -9.128 1.00 0.00 H new ATOM 0 HA MET A 59 29.457 -0.333 -11.762 1.00 0.00 H new ATOM 0 HB2 MET A 59 27.461 0.870 -10.923 1.00 0.00 H new ATOM 0 HB3 MET A 59 28.427 1.660 -9.693 1.00 0.00 H new ATOM 0 HG2 MET A 59 27.961 3.174 -11.585 1.00 0.00 H new ATOM 0 HG3 MET A 59 29.682 2.901 -11.396 1.00 0.00 H new ATOM 0 HE1 MET A 59 27.077 1.074 -14.794 1.00 0.00 H new ATOM 0 HE2 MET A 59 27.032 0.360 -13.165 1.00 0.00 H new ATOM 0 HE3 MET A 59 26.462 2.026 -13.423 1.00 0.00 H new ATOM 986 N GLU A 60 31.231 0.773 -9.194 1.00 0.00 N ATOM 987 CA GLU A 60 32.494 1.400 -8.740 1.00 0.00 C ATOM 988 C GLU A 60 33.726 0.550 -9.122 1.00 0.00 C ATOM 989 O GLU A 60 34.728 1.087 -9.620 1.00 0.00 O ATOM 990 CB GLU A 60 32.439 1.596 -7.201 1.00 0.00 C ATOM 991 CG GLU A 60 33.526 2.505 -6.601 1.00 0.00 C ATOM 992 CD GLU A 60 33.391 2.644 -5.073 1.00 0.00 C ATOM 993 OE1 GLU A 60 32.527 3.422 -4.608 1.00 0.00 O ATOM 994 OE2 GLU A 60 34.140 1.968 -4.332 1.00 0.00 O ATOM 0 H GLU A 60 30.623 0.486 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 60 32.597 2.364 -9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.464 2.008 -6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.508 0.617 -6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 60 34.509 2.100 -6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 60 33.466 3.492 -7.060 1.00 0.00 H new ATOM 1001 N LYS A 61 33.622 -0.779 -8.895 1.00 0.00 N ATOM 1002 CA LYS A 61 34.744 -1.724 -9.095 1.00 0.00 C ATOM 1003 C LYS A 61 35.138 -1.808 -10.585 1.00 0.00 C ATOM 1004 O LYS A 61 36.321 -1.739 -10.919 1.00 0.00 O ATOM 1005 CB LYS A 61 34.394 -3.134 -8.522 1.00 0.00 C ATOM 1006 CG LYS A 61 33.266 -3.886 -9.273 1.00 0.00 C ATOM 1007 CD LYS A 61 32.841 -5.207 -8.593 1.00 0.00 C ATOM 1008 CE LYS A 61 31.726 -5.932 -9.380 1.00 0.00 C ATOM 1009 NZ LYS A 61 31.257 -7.155 -8.685 1.00 0.00 N ATOM 0 H LYS A 61 32.764 -1.224 -8.570 1.00 0.00 H new ATOM 0 HA LYS A 61 35.606 -1.346 -8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 61 35.293 -3.749 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 61 34.103 -3.023 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 61 32.397 -3.233 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 61 33.598 -4.101 -10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 61 33.707 -5.863 -8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.493 -4.998 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 61 30.886 -5.253 -9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.096 -6.198 -10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.510 -7.609 -9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 32.052 -7.815 -8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 30.879 -6.900 -7.750 1.00 0.00 H new ATOM 1023 N GLU A 62 34.126 -1.914 -11.470 1.00 0.00 N ATOM 1024 CA GLU A 62 34.341 -2.079 -12.920 1.00 0.00 C ATOM 1025 C GLU A 62 34.733 -0.736 -13.562 1.00 0.00 C ATOM 1026 O GLU A 62 35.427 -0.709 -14.576 1.00 0.00 O ATOM 1027 CB GLU A 62 33.073 -2.664 -13.602 1.00 0.00 C ATOM 1028 CG GLU A 62 31.828 -1.758 -13.538 1.00 0.00 C ATOM 1029 CD GLU A 62 30.636 -2.308 -14.338 1.00 0.00 C ATOM 1030 OE1 GLU A 62 30.581 -2.075 -15.567 1.00 0.00 O ATOM 1031 OE2 GLU A 62 29.756 -2.975 -13.753 1.00 0.00 O ATOM 0 H GLU A 62 33.143 -1.888 -11.201 1.00 0.00 H new ATOM 0 HA GLU A 62 35.160 -2.783 -13.067 1.00 0.00 H new ATOM 0 HB2 GLU A 62 33.302 -2.869 -14.648 1.00 0.00 H new ATOM 0 HB3 GLU A 62 32.834 -3.619 -13.134 1.00 0.00 H new ATOM 0 HG2 GLU A 62 31.531 -1.632 -12.497 1.00 0.00 H new ATOM 0 HG3 GLU A 62 32.086 -0.769 -13.917 1.00 0.00 H new ATOM 1038 N ARG A 63 34.274 0.371 -12.937 1.00 0.00 N ATOM 1039 CA ARG A 63 34.580 1.746 -13.372 1.00 0.00 C ATOM 1040 C ARG A 63 36.080 2.035 -13.190 1.00 0.00 C ATOM 1041 O ARG A 63 36.698 2.702 -14.016 1.00 0.00 O ATOM 1042 CB ARG A 63 33.740 2.754 -12.543 1.00 0.00 C ATOM 1043 CG ARG A 63 33.699 4.190 -13.103 1.00 0.00 C ATOM 1044 CD ARG A 63 33.138 5.198 -12.084 1.00 0.00 C ATOM 1045 NE ARG A 63 34.010 5.319 -10.894 1.00 0.00 N ATOM 1046 CZ ARG A 63 33.629 5.755 -9.681 1.00 0.00 C ATOM 1047 NH1 ARG A 63 32.364 6.070 -9.424 1.00 0.00 N ATOM 1048 NH2 ARG A 63 34.521 5.844 -8.710 1.00 0.00 N ATOM 0 H ARG A 63 33.677 0.332 -12.111 1.00 0.00 H new ATOM 0 HA ARG A 63 34.328 1.852 -14.427 1.00 0.00 H new ATOM 0 HB2 ARG A 63 32.719 2.379 -12.472 1.00 0.00 H new ATOM 0 HB3 ARG A 63 34.139 2.788 -11.529 1.00 0.00 H new ATOM 0 HG2 ARG A 63 34.705 4.493 -13.395 1.00 0.00 H new ATOM 0 HG3 ARG A 63 33.087 4.209 -14.004 1.00 0.00 H new ATOM 0 HD2 ARG A 63 33.033 6.174 -12.558 1.00 0.00 H new ATOM 0 HD3 ARG A 63 32.141 4.885 -11.774 1.00 0.00 H new ATOM 0 HE ARG A 63 34.987 5.047 -11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 63 31.658 5.983 -10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 63 32.099 6.399 -8.496 1.00 0.00 H new ATOM 0 HH21 ARG A 63 35.492 5.583 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 63 34.239 6.174 -7.787 1.00 0.00 H new ATOM 1062 N ASN A 64 36.644 1.503 -12.096 1.00 0.00 N ATOM 1063 CA ASN A 64 38.079 1.627 -11.783 1.00 0.00 C ATOM 1064 C ASN A 64 38.879 0.644 -12.662 1.00 0.00 C ATOM 1065 O ASN A 64 39.937 0.994 -13.192 1.00 0.00 O ATOM 1066 CB ASN A 64 38.301 1.341 -10.268 1.00 0.00 C ATOM 1067 CG ASN A 64 39.627 1.847 -9.650 1.00 0.00 C ATOM 1068 OD1 ASN A 64 39.645 2.248 -8.483 1.00 0.00 O ATOM 1069 ND2 ASN A 64 40.737 1.812 -10.382 1.00 0.00 N ATOM 0 H ASN A 64 36.119 0.973 -11.401 1.00 0.00 H new ATOM 0 HA ASN A 64 38.428 2.638 -11.996 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.476 1.787 -9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 64 38.243 0.264 -10.114 1.00 0.00 H new ATOM 0 HD21 ASN A 64 41.623 2.120 -9.980 1.00 0.00 H new ATOM 0 HD22 ASN A 64 40.703 1.477 -11.345 1.00 0.00 H new