USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 278 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 SER OG : rot 107:sc= 1.22 USER MOD Set 1.2: A 23 ASN : amide:sc= 1 K(o=2.2,f=-1.5) USER MOD Set 1.3: A 49 HIS : no HD1:sc= -0.0189 K(o=2.2,f=1.7) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.841 K(o=-0.84,f=-0.16) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 31 ASN : amide:sc=-0.00326 X(o=-0.0033,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 1.06 K(o=1.1,f=-0.00093) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00756) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00601 K(o=-0.006,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.453 12.821 -7.339 1.00 0.00 N ATOM 2 CA PHE A 17 34.579 11.887 -6.547 1.00 0.00 C ATOM 3 C PHE A 17 33.106 12.280 -6.425 1.00 0.00 C ATOM 4 O PHE A 17 32.743 13.288 -5.820 1.00 0.00 O ATOM 5 CB PHE A 17 35.258 11.723 -5.151 1.00 0.00 C ATOM 6 CG PHE A 17 34.548 10.830 -4.152 1.00 0.00 C ATOM 7 CD1 PHE A 17 33.793 9.703 -4.527 1.00 0.00 C ATOM 8 CD2 PHE A 17 34.653 11.140 -2.783 1.00 0.00 C ATOM 9 CE1 PHE A 17 33.117 8.947 -3.563 1.00 0.00 C ATOM 10 CE2 PHE A 17 33.998 10.368 -1.815 1.00 0.00 C ATOM 11 CZ PHE A 17 33.222 9.272 -2.207 1.00 0.00 C ATOM 0 HA PHE A 17 34.515 10.945 -7.092 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.263 11.330 -5.305 1.00 0.00 H new ATOM 0 HB3 PHE A 17 35.367 12.712 -4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 17 33.735 9.419 -5.567 1.00 0.00 H new ATOM 0 HD2 PHE A 17 35.248 11.987 -2.474 1.00 0.00 H new ATOM 0 HE1 PHE A 17 32.510 8.107 -3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 17 34.092 10.618 -0.769 1.00 0.00 H new ATOM 0 HZ PHE A 17 32.706 8.680 -1.466 1.00 0.00 H new ATOM 23 N ASP A 18 32.211 11.430 -6.982 1.00 0.00 N ATOM 24 CA ASP A 18 30.805 11.406 -6.646 1.00 0.00 C ATOM 25 C ASP A 18 30.500 10.014 -6.110 1.00 0.00 C ATOM 26 O ASP A 18 31.158 9.039 -6.476 1.00 0.00 O ATOM 27 CB ASP A 18 29.906 11.721 -7.869 1.00 0.00 C ATOM 28 CG ASP A 18 30.129 13.152 -8.342 1.00 0.00 C ATOM 29 OD1 ASP A 18 30.597 13.323 -9.498 1.00 0.00 O ATOM 30 OD2 ASP A 18 29.782 14.083 -7.569 1.00 0.00 O ATOM 0 H ASP A 18 32.470 10.739 -7.686 1.00 0.00 H new ATOM 0 HA ASP A 18 30.592 12.176 -5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.127 11.026 -8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.858 11.579 -7.604 1.00 0.00 H new ATOM 35 N VAL A 19 29.492 9.892 -5.221 1.00 0.00 N ATOM 36 CA VAL A 19 29.079 8.615 -4.669 1.00 0.00 C ATOM 37 C VAL A 19 27.607 8.440 -4.970 1.00 0.00 C ATOM 38 O VAL A 19 26.817 9.378 -4.857 1.00 0.00 O ATOM 39 CB VAL A 19 29.376 8.491 -3.168 1.00 0.00 C ATOM 40 CG1 VAL A 19 28.648 9.559 -2.323 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.087 7.059 -2.669 1.00 0.00 C ATOM 0 H VAL A 19 28.951 10.685 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 19 29.657 7.817 -5.134 1.00 0.00 H new ATOM 0 HB VAL A 19 30.440 8.685 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 19 28.896 9.421 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 19 28.962 10.552 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 19 27.571 9.458 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.305 6.994 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.038 6.819 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 19 29.714 6.351 -3.211 1.00 0.00 H new ATOM 51 N VAL A 20 27.209 7.227 -5.408 1.00 0.00 N ATOM 52 CA VAL A 20 25.820 6.872 -5.644 1.00 0.00 C ATOM 53 C VAL A 20 25.545 5.558 -4.951 1.00 0.00 C ATOM 54 O VAL A 20 26.455 4.774 -4.676 1.00 0.00 O ATOM 55 CB VAL A 20 25.430 6.779 -7.125 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.551 8.170 -7.780 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.328 5.762 -7.860 1.00 0.00 C ATOM 0 H VAL A 20 27.861 6.468 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 20 25.209 7.679 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 20 24.398 6.437 -7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.274 8.102 -8.832 1.00 0.00 H new ATOM 0 HG12 VAL A 20 24.886 8.870 -7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.579 8.523 -7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 20 26.036 5.710 -8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.369 6.077 -7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.214 4.779 -7.403 1.00 0.00 H new ATOM 67 N SER A 21 24.264 5.283 -4.622 1.00 0.00 N ATOM 68 CA SER A 21 23.854 4.014 -4.055 1.00 0.00 C ATOM 69 C SER A 21 23.710 2.928 -5.110 1.00 0.00 C ATOM 70 O SER A 21 23.399 3.183 -6.271 1.00 0.00 O ATOM 71 CB SER A 21 22.538 4.158 -3.239 1.00 0.00 C ATOM 72 OG SER A 21 21.444 4.597 -4.044 1.00 0.00 O ATOM 0 H SER A 21 23.498 5.945 -4.748 1.00 0.00 H new ATOM 0 HA SER A 21 24.650 3.706 -3.377 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.289 3.199 -2.784 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.694 4.866 -2.425 1.00 0.00 H new ATOM 0 HG SER A 21 20.830 3.849 -4.197 1.00 0.00 H new ATOM 78 N CYS A 22 23.945 1.658 -4.709 1.00 0.00 N ATOM 79 CA CYS A 22 23.826 0.500 -5.582 1.00 0.00 C ATOM 80 C CYS A 22 22.478 -0.176 -5.360 1.00 0.00 C ATOM 81 O CYS A 22 22.060 -1.046 -6.120 1.00 0.00 O ATOM 82 CB CYS A 22 25.001 -0.464 -5.294 1.00 0.00 C ATOM 83 SG CYS A 22 25.273 -1.786 -6.513 1.00 0.00 S ATOM 0 H CYS A 22 24.225 1.421 -3.757 1.00 0.00 H new ATOM 0 HA CYS A 22 23.874 0.804 -6.628 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.915 0.124 -5.217 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.835 -0.925 -4.320 1.00 0.00 H new ATOM 88 N ASN A 23 21.770 0.253 -4.287 1.00 0.00 N ATOM 89 CA ASN A 23 20.453 -0.183 -3.844 1.00 0.00 C ATOM 90 C ASN A 23 20.358 -1.664 -3.515 1.00 0.00 C ATOM 91 O ASN A 23 19.375 -2.336 -3.820 1.00 0.00 O ATOM 92 CB ASN A 23 19.353 0.230 -4.865 1.00 0.00 C ATOM 93 CG ASN A 23 19.289 1.756 -4.958 1.00 0.00 C ATOM 94 OD1 ASN A 23 19.682 2.484 -4.039 1.00 0.00 O ATOM 95 ND2 ASN A 23 18.767 2.266 -6.105 1.00 0.00 N ATOM 0 H ASN A 23 22.149 0.971 -3.669 1.00 0.00 H new ATOM 0 HA ASN A 23 20.282 0.336 -2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.573 -0.196 -5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 23 18.386 -0.167 -4.555 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.691 3.276 -6.226 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.452 1.639 -6.845 1.00 0.00 H new ATOM 102 N LYS A 24 21.389 -2.184 -2.815 1.00 0.00 N ATOM 103 CA LYS A 24 21.410 -3.523 -2.266 1.00 0.00 C ATOM 104 C LYS A 24 21.627 -3.393 -0.767 1.00 0.00 C ATOM 105 O LYS A 24 22.456 -2.598 -0.315 1.00 0.00 O ATOM 106 CB LYS A 24 22.538 -4.375 -2.898 1.00 0.00 C ATOM 107 CG LYS A 24 22.608 -5.842 -2.433 1.00 0.00 C ATOM 108 CD LYS A 24 21.434 -6.683 -2.960 1.00 0.00 C ATOM 109 CE LYS A 24 21.601 -8.177 -2.688 1.00 0.00 C ATOM 110 NZ LYS A 24 20.481 -8.918 -3.302 1.00 0.00 N ATOM 0 H LYS A 24 22.241 -1.658 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 24 20.469 -4.029 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 24 22.415 -4.362 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.494 -3.898 -2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.546 -6.282 -2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.614 -5.875 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.510 -6.336 -2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.333 -6.524 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.549 -8.528 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.627 -8.361 -1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.595 -9.935 -3.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.582 -8.590 -2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.476 -8.752 -4.329 1.00 0.00 H new ATOM 124 N ASN A 25 20.855 -4.166 0.034 1.00 0.00 N ATOM 125 CA ASN A 25 20.895 -4.165 1.483 1.00 0.00 C ATOM 126 C ASN A 25 21.941 -5.163 1.971 1.00 0.00 C ATOM 127 O ASN A 25 21.925 -6.334 1.598 1.00 0.00 O ATOM 128 CB ASN A 25 19.495 -4.531 2.055 1.00 0.00 C ATOM 129 CG ASN A 25 19.414 -4.395 3.580 1.00 0.00 C ATOM 130 OD1 ASN A 25 19.168 -3.310 4.108 1.00 0.00 O ATOM 131 ND2 ASN A 25 19.668 -5.519 4.299 1.00 0.00 N ATOM 0 H ASN A 25 20.171 -4.823 -0.341 1.00 0.00 H new ATOM 0 HA ASN A 25 21.166 -3.169 1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 25 18.743 -3.887 1.598 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.251 -5.555 1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.660 -5.485 5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 25 19.867 -6.397 3.820 1.00 0.00 H new ATOM 138 N CYS A 26 22.864 -4.709 2.843 1.00 0.00 N ATOM 139 CA CYS A 26 23.959 -5.491 3.373 1.00 0.00 C ATOM 140 C CYS A 26 23.876 -5.600 4.888 1.00 0.00 C ATOM 141 O CYS A 26 23.645 -4.631 5.607 1.00 0.00 O ATOM 142 CB CYS A 26 25.278 -4.859 2.851 1.00 0.00 C ATOM 143 SG CYS A 26 26.846 -5.346 3.630 1.00 0.00 S ATOM 0 H CYS A 26 22.852 -3.753 3.199 1.00 0.00 H new ATOM 0 HA CYS A 26 23.915 -6.524 3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 26 25.354 -5.083 1.787 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.185 -3.777 2.943 1.00 0.00 H new ATOM 148 N THR A 27 24.058 -6.836 5.403 1.00 0.00 N ATOM 149 CA THR A 27 23.999 -7.186 6.819 1.00 0.00 C ATOM 150 C THR A 27 25.387 -7.697 7.127 1.00 0.00 C ATOM 151 O THR A 27 26.028 -8.287 6.256 1.00 0.00 O ATOM 152 CB THR A 27 22.980 -8.268 7.158 1.00 0.00 C ATOM 153 OG1 THR A 27 21.682 -7.871 6.737 1.00 0.00 O ATOM 154 CG2 THR A 27 22.876 -8.540 8.672 1.00 0.00 C ATOM 0 H THR A 27 24.257 -7.642 4.810 1.00 0.00 H new ATOM 0 HA THR A 27 23.687 -6.319 7.402 1.00 0.00 H new ATOM 0 HB THR A 27 23.325 -9.166 6.646 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.037 -8.575 6.959 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.135 -9.319 8.852 1.00 0.00 H new ATOM 0 HG22 THR A 27 23.845 -8.866 9.050 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.574 -7.627 9.186 1.00 0.00 H new ATOM 162 N SER A 28 25.909 -7.468 8.351 1.00 0.00 N ATOM 163 CA SER A 28 27.321 -7.619 8.687 1.00 0.00 C ATOM 164 C SER A 28 27.927 -8.994 8.479 1.00 0.00 C ATOM 165 O SER A 28 29.030 -9.103 7.950 1.00 0.00 O ATOM 166 CB SER A 28 27.555 -7.207 10.160 1.00 0.00 C ATOM 167 OG SER A 28 26.821 -8.016 11.080 1.00 0.00 O ATOM 0 H SER A 28 25.340 -7.167 9.142 1.00 0.00 H new ATOM 0 HA SER A 28 27.828 -6.966 7.976 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.618 -7.277 10.388 1.00 0.00 H new ATOM 0 HB3 SER A 28 27.269 -6.163 10.291 1.00 0.00 H new ATOM 0 HG SER A 28 27.003 -7.718 11.996 1.00 0.00 H new ATOM 173 N GLY A 29 27.197 -10.070 8.844 1.00 0.00 N ATOM 174 CA GLY A 29 27.571 -11.452 8.573 1.00 0.00 C ATOM 175 C GLY A 29 27.622 -11.804 7.109 1.00 0.00 C ATOM 176 O GLY A 29 28.445 -12.606 6.682 1.00 0.00 O ATOM 0 H GLY A 29 26.313 -9.987 9.346 1.00 0.00 H new ATOM 0 HA2 GLY A 29 28.548 -11.645 9.016 1.00 0.00 H new ATOM 0 HA3 GLY A 29 26.860 -12.113 9.069 1.00 0.00 H new ATOM 180 N GLN A 30 26.690 -11.237 6.312 1.00 0.00 N ATOM 181 CA GLN A 30 26.562 -11.517 4.894 1.00 0.00 C ATOM 182 C GLN A 30 27.617 -10.785 4.083 1.00 0.00 C ATOM 183 O GLN A 30 28.272 -11.368 3.223 1.00 0.00 O ATOM 184 CB GLN A 30 25.164 -11.059 4.390 1.00 0.00 C ATOM 185 CG GLN A 30 23.969 -11.875 4.935 1.00 0.00 C ATOM 186 CD GLN A 30 23.892 -13.263 4.295 1.00 0.00 C ATOM 187 OE1 GLN A 30 24.030 -14.289 4.962 1.00 0.00 O ATOM 188 NE2 GLN A 30 23.643 -13.285 2.958 1.00 0.00 N ATOM 0 H GLN A 30 26.004 -10.565 6.655 1.00 0.00 H new ATOM 0 HA GLN A 30 26.691 -12.591 4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 30 25.023 -10.013 4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 30 25.153 -11.111 3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.061 -11.978 6.016 1.00 0.00 H new ATOM 0 HG3 GLN A 30 23.042 -11.334 4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 30 23.536 -12.410 2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 30 23.564 -14.176 2.469 1.00 0.00 H new ATOM 197 N ASN A 31 27.778 -9.470 4.364 1.00 0.00 N ATOM 198 CA ASN A 31 28.710 -8.522 3.772 1.00 0.00 C ATOM 199 C ASN A 31 28.641 -8.503 2.230 1.00 0.00 C ATOM 200 O ASN A 31 29.649 -8.416 1.534 1.00 0.00 O ATOM 201 CB ASN A 31 30.143 -8.797 4.329 1.00 0.00 C ATOM 202 CG ASN A 31 31.083 -7.593 4.207 1.00 0.00 C ATOM 203 OD1 ASN A 31 32.090 -7.598 3.500 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.755 -6.532 5.000 1.00 0.00 N ATOM 0 H ASN A 31 27.201 -9.021 5.075 1.00 0.00 H new ATOM 0 HA ASN A 31 28.422 -7.512 4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 31 30.068 -9.086 5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.576 -9.643 3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 31 31.353 -5.706 5.020 1.00 0.00 H new ATOM 0 HD22 ASN A 31 29.911 -6.565 5.573 1.00 0.00 H new ATOM 211 N GLU A 32 27.414 -8.591 1.659 1.00 0.00 N ATOM 212 CA GLU A 32 27.184 -8.819 0.239 1.00 0.00 C ATOM 213 C GLU A 32 26.833 -7.560 -0.521 1.00 0.00 C ATOM 214 O GLU A 32 25.979 -6.786 -0.096 1.00 0.00 O ATOM 215 CB GLU A 32 26.008 -9.802 -0.017 1.00 0.00 C ATOM 216 CG GLU A 32 26.240 -11.265 0.445 1.00 0.00 C ATOM 217 CD GLU A 32 27.270 -12.053 -0.378 1.00 0.00 C ATOM 218 OE1 GLU A 32 27.459 -13.252 -0.043 1.00 0.00 O ATOM 219 OE2 GLU A 32 27.839 -11.494 -1.350 1.00 0.00 O ATOM 0 H GLU A 32 26.551 -8.502 2.195 1.00 0.00 H new ATOM 0 HA GLU A 32 28.132 -9.226 -0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 32 25.121 -9.418 0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 32 25.790 -9.808 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 32 26.562 -11.254 1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.288 -11.795 0.411 1.00 0.00 H new ATOM 226 N CYS A 33 27.446 -7.379 -1.712 1.00 0.00 N ATOM 227 CA CYS A 33 26.988 -6.465 -2.740 1.00 0.00 C ATOM 228 C CYS A 33 27.107 -7.195 -4.064 1.00 0.00 C ATOM 229 O CYS A 33 27.873 -8.159 -4.122 1.00 0.00 O ATOM 230 CB CYS A 33 27.819 -5.164 -2.825 1.00 0.00 C ATOM 231 SG CYS A 33 27.740 -4.193 -1.301 1.00 0.00 S ATOM 0 H CYS A 33 28.292 -7.885 -1.975 1.00 0.00 H new ATOM 0 HA CYS A 33 25.967 -6.169 -2.500 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.858 -5.413 -3.040 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.458 -4.559 -3.657 1.00 0.00 H new ATOM 236 N PRO A 34 26.425 -6.816 -5.148 1.00 0.00 N ATOM 237 CA PRO A 34 26.782 -7.254 -6.495 1.00 0.00 C ATOM 238 C PRO A 34 28.096 -6.618 -6.934 1.00 0.00 C ATOM 239 O PRO A 34 28.543 -5.636 -6.339 1.00 0.00 O ATOM 240 CB PRO A 34 25.602 -6.771 -7.355 1.00 0.00 C ATOM 241 CG PRO A 34 25.099 -5.525 -6.623 1.00 0.00 C ATOM 242 CD PRO A 34 25.271 -5.912 -5.156 1.00 0.00 C ATOM 0 HA PRO A 34 26.938 -8.330 -6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 34 25.918 -6.537 -8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 34 24.825 -7.531 -7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 34 25.681 -4.640 -6.880 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.060 -5.304 -6.865 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.449 -5.036 -4.533 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.379 -6.404 -4.768 1.00 0.00 H new ATOM 250 N GLU A 35 28.765 -7.195 -7.956 1.00 0.00 N ATOM 251 CA GLU A 35 30.104 -6.795 -8.354 1.00 0.00 C ATOM 252 C GLU A 35 30.180 -5.367 -8.885 1.00 0.00 C ATOM 253 O GLU A 35 29.330 -4.914 -9.648 1.00 0.00 O ATOM 254 CB GLU A 35 30.692 -7.759 -9.419 1.00 0.00 C ATOM 255 CG GLU A 35 30.924 -9.193 -8.881 1.00 0.00 C ATOM 256 CD GLU A 35 31.507 -10.123 -9.947 1.00 0.00 C ATOM 257 OE1 GLU A 35 30.815 -11.112 -10.301 1.00 0.00 O ATOM 258 OE2 GLU A 35 32.648 -9.853 -10.402 1.00 0.00 O ATOM 0 H GLU A 35 28.378 -7.952 -8.520 1.00 0.00 H new ATOM 0 HA GLU A 35 30.696 -6.843 -7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 35 30.016 -7.803 -10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 35 31.638 -7.356 -9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 35 31.600 -9.154 -8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 35 29.980 -9.602 -8.522 1.00 0.00 H new ATOM 265 N GLY A 36 31.228 -4.622 -8.457 1.00 0.00 N ATOM 266 CA GLY A 36 31.407 -3.210 -8.776 1.00 0.00 C ATOM 267 C GLY A 36 30.912 -2.297 -7.685 1.00 0.00 C ATOM 268 O GLY A 36 31.206 -1.105 -7.692 1.00 0.00 O ATOM 0 H GLY A 36 31.974 -5.002 -7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.464 -3.014 -8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 36 30.879 -2.982 -9.702 1.00 0.00 H new ATOM 272 N CYS A 37 30.160 -2.843 -6.709 1.00 0.00 N ATOM 273 CA CYS A 37 29.621 -2.110 -5.581 1.00 0.00 C ATOM 274 C CYS A 37 30.247 -2.624 -4.295 1.00 0.00 C ATOM 275 O CYS A 37 30.708 -3.762 -4.226 1.00 0.00 O ATOM 276 CB CYS A 37 28.081 -2.246 -5.500 1.00 0.00 C ATOM 277 SG CYS A 37 27.240 -1.562 -6.962 1.00 0.00 S ATOM 0 H CYS A 37 29.913 -3.833 -6.697 1.00 0.00 H new ATOM 0 HA CYS A 37 29.860 -1.055 -5.717 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.818 -3.298 -5.393 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.721 -1.736 -4.607 1.00 0.00 H new ATOM 282 N PHE A 38 30.297 -1.782 -3.236 1.00 0.00 N ATOM 283 CA PHE A 38 30.913 -2.147 -1.966 1.00 0.00 C ATOM 284 C PHE A 38 30.007 -1.767 -0.807 1.00 0.00 C ATOM 285 O PHE A 38 29.179 -0.863 -0.921 1.00 0.00 O ATOM 286 CB PHE A 38 32.325 -1.497 -1.776 1.00 0.00 C ATOM 287 CG PHE A 38 32.285 0.008 -1.709 1.00 0.00 C ATOM 288 CD1 PHE A 38 32.305 0.671 -0.468 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.099 0.756 -2.879 1.00 0.00 C ATOM 290 CE1 PHE A 38 32.150 2.060 -0.401 1.00 0.00 C ATOM 291 CE2 PHE A 38 31.887 2.133 -2.812 1.00 0.00 C ATOM 292 CZ PHE A 38 31.927 2.791 -1.574 1.00 0.00 C ATOM 0 H PHE A 38 29.910 -0.838 -3.251 1.00 0.00 H new ATOM 0 HA PHE A 38 31.051 -3.228 -1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.774 -1.883 -0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.971 -1.800 -2.600 1.00 0.00 H new ATOM 0 HD1 PHE A 38 32.441 0.103 0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 38 32.120 0.263 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 38 32.202 2.566 0.552 1.00 0.00 H new ATOM 0 HE2 PHE A 38 31.692 2.693 -3.714 1.00 0.00 H new ATOM 0 HZ PHE A 38 31.786 3.861 -1.526 1.00 0.00 H new ATOM 302 N CYS A 39 30.153 -2.470 0.342 1.00 0.00 N ATOM 303 CA CYS A 39 29.346 -2.275 1.533 1.00 0.00 C ATOM 304 C CYS A 39 30.164 -1.535 2.567 1.00 0.00 C ATOM 305 O CYS A 39 31.196 -2.015 3.034 1.00 0.00 O ATOM 306 CB CYS A 39 28.856 -3.642 2.106 1.00 0.00 C ATOM 307 SG CYS A 39 27.861 -3.581 3.629 1.00 0.00 S ATOM 0 H CYS A 39 30.856 -3.201 0.451 1.00 0.00 H new ATOM 0 HA CYS A 39 28.464 -1.689 1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 39 28.269 -4.143 1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 39 29.730 -4.264 2.296 1.00 0.00 H new ATOM 312 N GLY A 40 29.694 -0.335 2.974 1.00 0.00 N ATOM 313 CA GLY A 40 30.324 0.450 4.025 1.00 0.00 C ATOM 314 C GLY A 40 29.748 0.110 5.366 1.00 0.00 C ATOM 315 O GLY A 40 29.032 0.914 5.956 1.00 0.00 O ATOM 0 H GLY A 40 28.865 0.105 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 40 31.398 0.264 4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 40 30.185 1.512 3.824 1.00 0.00 H new ATOM 319 N LEU A 41 30.041 -1.105 5.872 1.00 0.00 N ATOM 320 CA LEU A 41 29.584 -1.556 7.172 1.00 0.00 C ATOM 321 C LEU A 41 30.780 -1.568 8.094 1.00 0.00 C ATOM 322 O LEU A 41 31.808 -2.178 7.801 1.00 0.00 O ATOM 323 CB LEU A 41 28.927 -2.954 7.056 1.00 0.00 C ATOM 324 CG LEU A 41 28.296 -3.546 8.338 1.00 0.00 C ATOM 325 CD1 LEU A 41 29.292 -4.170 9.331 1.00 0.00 C ATOM 326 CD2 LEU A 41 27.405 -2.506 9.029 1.00 0.00 C ATOM 0 H LEU A 41 30.606 -1.794 5.375 1.00 0.00 H new ATOM 0 HA LEU A 41 28.823 -0.888 7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 41 28.152 -2.901 6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 41 29.682 -3.653 6.697 1.00 0.00 H new ATOM 0 HG LEU A 41 27.689 -4.384 7.996 1.00 0.00 H new ATOM 0 HD11 LEU A 41 28.751 -4.556 10.195 1.00 0.00 H new ATOM 0 HD12 LEU A 41 29.828 -4.985 8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 41 30.003 -3.412 9.658 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.970 -2.940 9.929 1.00 0.00 H new ATOM 0 HD22 LEU A 41 28.004 -1.636 9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 41 26.608 -2.202 8.351 1.00 0.00 H new ATOM 338 N LEU A 42 30.684 -0.841 9.229 1.00 0.00 N ATOM 339 CA LEU A 42 31.831 -0.524 10.049 1.00 0.00 C ATOM 340 C LEU A 42 31.623 -1.172 11.404 1.00 0.00 C ATOM 341 O LEU A 42 30.516 -1.141 11.943 1.00 0.00 O ATOM 342 CB LEU A 42 31.999 1.006 10.271 1.00 0.00 C ATOM 343 CG LEU A 42 32.101 1.877 8.988 1.00 0.00 C ATOM 344 CD1 LEU A 42 32.929 1.246 7.850 1.00 0.00 C ATOM 345 CD2 LEU A 42 30.704 2.335 8.511 1.00 0.00 C ATOM 0 H LEU A 42 29.804 -0.467 9.585 1.00 0.00 H new ATOM 0 HA LEU A 42 32.723 -0.890 9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 42 31.154 1.362 10.861 1.00 0.00 H new ATOM 0 HB3 LEU A 42 32.896 1.169 10.869 1.00 0.00 H new ATOM 0 HG LEU A 42 32.669 2.761 9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 42 32.947 1.922 6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 42 33.948 1.071 8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 42 32.478 0.299 7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 42 30.808 2.942 7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 42 30.091 1.462 8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 42 30.227 2.925 9.294 1.00 0.00 H new ATOM 357 N GLY A 43 32.678 -1.783 12.002 1.00 0.00 N ATOM 358 CA GLY A 43 32.702 -2.141 13.424 1.00 0.00 C ATOM 359 C GLY A 43 31.798 -3.275 13.835 1.00 0.00 C ATOM 360 O GLY A 43 31.525 -3.455 15.016 1.00 0.00 O ATOM 0 H GLY A 43 33.530 -2.037 11.503 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.725 -2.401 13.696 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.433 -1.259 14.005 1.00 0.00 H new ATOM 364 N GLN A 44 31.299 -4.038 12.841 1.00 0.00 N ATOM 365 CA GLN A 44 30.248 -5.038 12.932 1.00 0.00 C ATOM 366 C GLN A 44 28.938 -4.488 13.515 1.00 0.00 C ATOM 367 O GLN A 44 28.253 -5.125 14.315 1.00 0.00 O ATOM 368 CB GLN A 44 30.711 -6.309 13.697 1.00 0.00 C ATOM 369 CG GLN A 44 29.885 -7.571 13.344 1.00 0.00 C ATOM 370 CD GLN A 44 30.288 -8.754 14.225 1.00 0.00 C ATOM 371 OE1 GLN A 44 31.177 -9.539 13.888 1.00 0.00 O ATOM 372 NE2 GLN A 44 29.600 -8.886 15.389 1.00 0.00 N ATOM 0 H GLN A 44 31.655 -3.955 11.889 1.00 0.00 H new ATOM 0 HA GLN A 44 30.034 -5.328 11.903 1.00 0.00 H new ATOM 0 HB2 GLN A 44 31.761 -6.497 13.474 1.00 0.00 H new ATOM 0 HB3 GLN A 44 30.641 -6.125 14.769 1.00 0.00 H new ATOM 0 HG2 GLN A 44 28.823 -7.362 13.473 1.00 0.00 H new ATOM 0 HG3 GLN A 44 30.035 -7.826 12.295 1.00 0.00 H new ATOM 0 HE21 GLN A 44 28.872 -8.214 15.630 1.00 0.00 H new ATOM 0 HE22 GLN A 44 29.812 -9.657 16.022 1.00 0.00 H new ATOM 381 N ASN A 45 28.527 -3.279 13.058 1.00 0.00 N ATOM 382 CA ASN A 45 27.175 -2.765 13.231 1.00 0.00 C ATOM 383 C ASN A 45 26.183 -3.540 12.369 1.00 0.00 C ATOM 384 O ASN A 45 26.559 -4.385 11.567 1.00 0.00 O ATOM 385 CB ASN A 45 27.089 -1.243 12.929 1.00 0.00 C ATOM 386 CG ASN A 45 27.706 -0.450 14.084 1.00 0.00 C ATOM 387 OD1 ASN A 45 27.050 -0.272 15.114 1.00 0.00 O ATOM 388 ND2 ASN A 45 28.965 0.028 13.933 1.00 0.00 N ATOM 0 H ASN A 45 29.142 -2.639 12.556 1.00 0.00 H new ATOM 0 HA ASN A 45 26.909 -2.906 14.279 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.612 -1.017 12.000 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.049 -0.949 12.788 1.00 0.00 H new ATOM 0 HD21 ASN A 45 29.404 0.557 14.687 1.00 0.00 H new ATOM 0 HD22 ASN A 45 29.474 -0.141 13.065 1.00 0.00 H new ATOM 395 N LYS A 46 24.867 -3.351 12.596 1.00 0.00 N ATOM 396 CA LYS A 46 23.855 -4.273 12.096 1.00 0.00 C ATOM 397 C LYS A 46 23.664 -4.300 10.583 1.00 0.00 C ATOM 398 O LYS A 46 23.657 -5.371 9.976 1.00 0.00 O ATOM 399 CB LYS A 46 22.481 -3.970 12.748 1.00 0.00 C ATOM 400 CG LYS A 46 22.438 -4.271 14.258 1.00 0.00 C ATOM 401 CD LYS A 46 21.085 -3.935 14.919 1.00 0.00 C ATOM 402 CE LYS A 46 19.874 -4.729 14.414 1.00 0.00 C ATOM 403 NZ LYS A 46 20.035 -6.165 14.711 1.00 0.00 N ATOM 0 H LYS A 46 24.491 -2.564 13.124 1.00 0.00 H new ATOM 0 HA LYS A 46 24.239 -5.255 12.373 1.00 0.00 H new ATOM 0 HB2 LYS A 46 22.235 -2.920 12.588 1.00 0.00 H new ATOM 0 HB3 LYS A 46 21.712 -4.558 12.246 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.657 -5.327 14.415 1.00 0.00 H new ATOM 0 HG3 LYS A 46 23.226 -3.705 14.755 1.00 0.00 H new ATOM 0 HD2 LYS A 46 21.178 -4.096 15.993 1.00 0.00 H new ATOM 0 HD3 LYS A 46 20.885 -2.874 14.772 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.965 -4.354 14.884 1.00 0.00 H new ATOM 0 HE3 LYS A 46 19.760 -4.585 13.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.191 -6.682 14.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 20.873 -6.530 14.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.155 -6.296 15.736 1.00 0.00 H new ATOM 417 N LYS A 47 23.534 -3.118 9.940 1.00 0.00 N ATOM 418 CA LYS A 47 23.283 -3.005 8.517 1.00 0.00 C ATOM 419 C LYS A 47 24.142 -1.935 7.892 1.00 0.00 C ATOM 420 O LYS A 47 24.492 -0.938 8.524 1.00 0.00 O ATOM 421 CB LYS A 47 21.806 -2.685 8.157 1.00 0.00 C ATOM 422 CG LYS A 47 20.814 -3.824 8.445 1.00 0.00 C ATOM 423 CD LYS A 47 19.385 -3.453 8.015 1.00 0.00 C ATOM 424 CE LYS A 47 18.492 -4.669 7.775 1.00 0.00 C ATOM 425 NZ LYS A 47 17.133 -4.217 7.417 1.00 0.00 N ATOM 0 H LYS A 47 23.604 -2.217 10.414 1.00 0.00 H new ATOM 0 HA LYS A 47 23.528 -3.991 8.122 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.494 -1.801 8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.751 -2.432 7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.131 -4.725 7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 47 20.825 -4.056 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 47 18.933 -2.825 8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.430 -2.858 7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.905 -5.285 6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.457 -5.290 8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.524 -5.044 7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.741 -3.647 8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.175 -3.642 6.552 1.00 0.00 H new ATOM 439 N GLY A 48 24.475 -2.137 6.602 1.00 0.00 N ATOM 440 CA GLY A 48 25.136 -1.176 5.747 1.00 0.00 C ATOM 441 C GLY A 48 24.433 -1.223 4.422 1.00 0.00 C ATOM 442 O GLY A 48 23.626 -2.112 4.157 1.00 0.00 O ATOM 0 H GLY A 48 24.275 -3.015 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 48 25.085 -0.176 6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 48 26.192 -1.421 5.634 1.00 0.00 H new ATOM 446 N HIS A 49 24.711 -0.256 3.532 1.00 0.00 N ATOM 447 CA HIS A 49 24.027 -0.186 2.259 1.00 0.00 C ATOM 448 C HIS A 49 25.109 -0.163 1.205 1.00 0.00 C ATOM 449 O HIS A 49 26.194 0.368 1.442 1.00 0.00 O ATOM 450 CB HIS A 49 23.131 1.076 2.195 1.00 0.00 C ATOM 451 CG HIS A 49 22.160 1.106 1.046 1.00 0.00 C ATOM 452 ND1 HIS A 49 21.167 0.143 1.011 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.972 2.018 0.053 1.00 0.00 C ATOM 454 CE1 HIS A 49 20.399 0.487 -0.001 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.835 1.616 -0.617 1.00 0.00 N ATOM 0 H HIS A 49 25.403 0.478 3.682 1.00 0.00 H new ATOM 0 HA HIS A 49 23.363 -1.036 2.106 1.00 0.00 H new ATOM 0 HB2 HIS A 49 22.571 1.154 3.127 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.772 1.956 2.133 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.586 2.879 -0.165 1.00 0.00 H new ATOM 0 HE1 HIS A 49 19.523 -0.065 -0.306 1.00 0.00 H new ATOM 0 HE2 HIS A 49 20.405 2.077 -1.419 1.00 0.00 H new ATOM 463 N CYS A 50 24.881 -0.796 0.033 1.00 0.00 N ATOM 464 CA CYS A 50 25.907 -0.868 -0.996 1.00 0.00 C ATOM 465 C CYS A 50 26.004 0.407 -1.827 1.00 0.00 C ATOM 466 O CYS A 50 24.991 0.986 -2.228 1.00 0.00 O ATOM 467 CB CYS A 50 25.677 -2.068 -1.946 1.00 0.00 C ATOM 468 SG CYS A 50 25.795 -3.665 -1.091 1.00 0.00 S ATOM 0 H CYS A 50 24.003 -1.255 -0.209 1.00 0.00 H new ATOM 0 HA CYS A 50 26.847 -0.999 -0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.694 -1.979 -2.407 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.411 -2.036 -2.751 1.00 0.00 H new ATOM 473 N TYR A 51 27.246 0.867 -2.124 1.00 0.00 N ATOM 474 CA TYR A 51 27.475 2.130 -2.819 1.00 0.00 C ATOM 475 C TYR A 51 28.352 1.849 -4.026 1.00 0.00 C ATOM 476 O TYR A 51 29.020 0.815 -4.098 1.00 0.00 O ATOM 477 CB TYR A 51 28.266 3.201 -2.022 1.00 0.00 C ATOM 478 CG TYR A 51 27.715 3.389 -0.642 1.00 0.00 C ATOM 479 CD1 TYR A 51 26.471 3.984 -0.374 1.00 0.00 C ATOM 480 CD2 TYR A 51 28.483 2.897 0.423 1.00 0.00 C ATOM 481 CE1 TYR A 51 25.994 4.050 0.947 1.00 0.00 C ATOM 482 CE2 TYR A 51 28.018 2.972 1.737 1.00 0.00 C ATOM 483 CZ TYR A 51 26.763 3.533 2.000 1.00 0.00 C ATOM 484 OH TYR A 51 26.263 3.541 3.319 1.00 0.00 O ATOM 0 H TYR A 51 28.102 0.366 -1.884 1.00 0.00 H new ATOM 0 HA TYR A 51 26.477 2.516 -3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 51 29.313 2.906 -1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 51 28.234 4.150 -2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 51 25.881 4.391 -1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 51 29.448 2.454 0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 51 25.034 4.500 1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 51 28.625 2.598 2.548 1.00 0.00 H new ATOM 0 HH TYR A 51 26.925 3.144 3.922 1.00 0.00 H new ATOM 494 N LYS A 52 28.387 2.793 -4.991 1.00 0.00 N ATOM 495 CA LYS A 52 29.370 2.812 -6.058 1.00 0.00 C ATOM 496 C LYS A 52 30.110 4.151 -6.030 1.00 0.00 C ATOM 497 O LYS A 52 29.505 5.211 -5.848 1.00 0.00 O ATOM 498 CB LYS A 52 28.700 2.584 -7.435 1.00 0.00 C ATOM 499 CG LYS A 52 29.676 2.509 -8.623 1.00 0.00 C ATOM 500 CD LYS A 52 28.983 2.244 -9.972 1.00 0.00 C ATOM 501 CE LYS A 52 28.111 3.405 -10.450 1.00 0.00 C ATOM 502 NZ LYS A 52 27.614 3.124 -11.811 1.00 0.00 N ATOM 0 H LYS A 52 27.721 3.564 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 52 30.081 2.001 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 52 28.126 1.658 -7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 52 27.990 3.391 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 52 30.231 3.445 -8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 52 30.403 1.719 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 52 29.742 2.036 -10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 52 28.367 1.349 -9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 52 27.273 3.548 -9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 52 28.686 4.331 -10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 27.021 3.915 -12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 28.420 3.009 -12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.050 2.250 -11.801 1.00 0.00 H new ATOM 516 N ILE A 53 31.457 4.117 -6.197 1.00 0.00 N ATOM 517 CA ILE A 53 32.334 5.281 -6.298 1.00 0.00 C ATOM 518 C ILE A 53 32.669 5.527 -7.750 1.00 0.00 C ATOM 519 O ILE A 53 33.121 4.634 -8.466 1.00 0.00 O ATOM 520 CB ILE A 53 33.626 5.145 -5.479 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.321 5.123 -3.964 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.661 6.244 -5.822 1.00 0.00 C ATOM 523 CD1 ILE A 53 34.472 4.611 -3.090 1.00 0.00 C ATOM 0 H ILE A 53 31.968 3.237 -6.266 1.00 0.00 H new ATOM 0 HA ILE A 53 31.792 6.128 -5.877 1.00 0.00 H new ATOM 0 HB ILE A 53 34.076 4.191 -5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 53 33.060 6.132 -3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.445 4.498 -3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.556 6.103 -5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 53 34.924 6.179 -6.878 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.233 7.225 -5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 53 34.170 4.630 -2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 53 34.720 3.589 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 53 35.345 5.249 -3.228 1.00 0.00 H new ATOM 535 N ILE A 54 32.442 6.776 -8.207 1.00 0.00 N ATOM 536 CA ILE A 54 32.748 7.238 -9.542 1.00 0.00 C ATOM 537 C ILE A 54 33.500 8.555 -9.470 1.00 0.00 C ATOM 538 O ILE A 54 33.446 9.280 -8.475 1.00 0.00 O ATOM 539 CB ILE A 54 31.513 7.342 -10.446 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.394 8.255 -9.870 1.00 0.00 C ATOM 541 CG2 ILE A 54 31.026 5.928 -10.825 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.421 7.584 -8.883 1.00 0.00 C ATOM 0 H ILE A 54 32.026 7.502 -7.623 1.00 0.00 H new ATOM 0 HA ILE A 54 33.385 6.486 -10.008 1.00 0.00 H new ATOM 0 HB ILE A 54 31.809 7.852 -11.363 1.00 0.00 H new ATOM 0 HG12 ILE A 54 30.864 9.101 -9.368 1.00 0.00 H new ATOM 0 HG13 ILE A 54 29.817 8.658 -10.702 1.00 0.00 H new ATOM 0 HG21 ILE A 54 30.149 6.005 -11.467 1.00 0.00 H new ATOM 0 HG22 ILE A 54 31.819 5.400 -11.355 1.00 0.00 H new ATOM 0 HG23 ILE A 54 30.766 5.378 -9.920 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.684 8.313 -8.546 1.00 0.00 H new ATOM 0 HD12 ILE A 54 28.913 6.757 -9.379 1.00 0.00 H new ATOM 0 HD13 ILE A 54 29.976 7.206 -8.025 1.00 0.00 H new ATOM 554 N GLY A 55 34.260 8.884 -10.540 1.00 0.00 N ATOM 555 CA GLY A 55 35.190 10.003 -10.552 1.00 0.00 C ATOM 556 C GLY A 55 36.576 9.487 -10.293 1.00 0.00 C ATOM 557 O GLY A 55 37.150 8.801 -11.134 1.00 0.00 O ATOM 0 H GLY A 55 34.234 8.367 -11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.152 10.514 -11.514 1.00 0.00 H new ATOM 0 HA3 GLY A 55 34.911 10.733 -9.792 1.00 0.00 H new ATOM 561 N ASN A 56 37.150 9.798 -9.110 1.00 0.00 N ATOM 562 CA ASN A 56 38.442 9.286 -8.660 1.00 0.00 C ATOM 563 C ASN A 56 39.635 9.566 -9.640 1.00 0.00 C ATOM 564 O ASN A 56 39.908 10.773 -9.881 1.00 0.00 O ATOM 565 CB ASN A 56 38.294 7.768 -8.298 1.00 0.00 C ATOM 566 CG ASN A 56 39.478 7.260 -7.470 1.00 0.00 C ATOM 567 OD1 ASN A 56 40.085 8.025 -6.718 1.00 0.00 O ATOM 568 ND2 ASN A 56 39.802 5.948 -7.600 1.00 0.00 N ATOM 569 OXT ASN A 56 40.277 8.594 -10.119 1.00 0.00 O ATOM 0 H ASN A 56 36.711 10.425 -8.436 1.00 0.00 H new ATOM 0 HA ASN A 56 38.720 9.845 -7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 56 37.370 7.616 -7.741 1.00 0.00 H new ATOM 0 HB3 ASN A 56 38.214 7.183 -9.214 1.00 0.00 H new ATOM 0 HD21 ASN A 56 40.576 5.558 -7.063 1.00 0.00 H new ATOM 0 HD22 ASN A 56 39.271 5.352 -8.235 1.00 0.00 H new TER 576 ASN A 56