USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 434 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 5 ASN : amide:sc= 0.00724 K(o=1.1,f=-2.1!) USER MOD Set 1.2: A 6 HIS : no HD1:sc= -0.334 K(o=1.1,f=-1.5) USER MOD Set 1.3: A 13 THR OG1 : rot -72:sc= 1.4 USER MOD Single : A 1 ARG N :NH3+ -128:sc= -1.24! (180deg=-4.67!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 19:sc= 0.829 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00413 K(o=-0.0041,f=-0.94) USER MOD Single : A 21 SER OG : rot -109:sc= 1.29 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= -1.84! (180deg=-1.84!) USER MOD Single : A 25 ASN : amide:sc= -3.55! C(o=-3.6!,f=-3.9!) USER MOD Single : A 28 THR OG1 : rot -131:sc= 1.17 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -68:sc= 0.143 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -114:sc= 0.0663 USER MOD Single : A 54 SER OG : rot 20:sc= 0.0398 USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= -0.422! (180deg=-1.49!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 41.427 25.786 67.155 1.00 0.00 N ATOM 2 CA ARG A 1 39.913 25.757 66.877 1.00 0.00 C ATOM 3 C ARG A 1 39.671 25.818 65.328 1.00 0.00 C ATOM 4 O ARG A 1 40.606 26.126 64.596 1.00 0.00 O ATOM 5 CB ARG A 1 39.216 26.976 67.552 1.00 0.00 C ATOM 6 CG ARG A 1 38.161 26.644 68.631 1.00 0.00 C ATOM 7 CD ARG A 1 38.582 25.640 69.754 1.00 0.00 C ATOM 8 NE ARG A 1 38.388 26.102 71.157 1.00 0.00 N ATOM 9 CZ ARG A 1 38.978 27.142 71.730 1.00 0.00 C ATOM 10 NH1 ARG A 1 39.986 27.754 71.173 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.507 27.586 72.867 1.00 0.00 N ATOM 0 H1 ARG A 1 41.681 24.992 67.777 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.946 25.703 66.258 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.678 26.683 67.618 1.00 0.00 H new ATOM 0 HA ARG A 1 39.495 24.837 67.286 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.984 27.603 68.005 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.736 27.571 66.775 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.859 27.577 69.107 1.00 0.00 H new ATOM 0 HG3 ARG A 1 37.280 26.242 68.130 1.00 0.00 H new ATOM 0 HD2 ARG A 1 38.019 24.717 69.617 1.00 0.00 H new ATOM 0 HD3 ARG A 1 39.635 25.395 69.617 1.00 0.00 H new ATOM 0 HE ARG A 1 37.738 25.566 71.733 1.00 0.00 H new ATOM 0 HH11 ARG A 1 40.341 27.435 70.272 1.00 0.00 H new ATOM 0 HH12 ARG A 1 40.419 28.552 71.639 1.00 0.00 H new ATOM 0 HH21 ARG A 1 37.700 27.133 73.296 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.947 28.385 73.324 1.00 0.00 H new ATOM 27 N ILE A 2 38.393 25.539 64.837 1.00 0.00 N ATOM 28 CA ILE A 2 38.104 25.611 63.384 1.00 0.00 C ATOM 29 C ILE A 2 37.699 27.100 63.070 1.00 0.00 C ATOM 30 O ILE A 2 36.674 27.593 63.544 1.00 0.00 O ATOM 31 CB ILE A 2 36.965 24.712 62.811 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.022 23.192 63.115 1.00 0.00 C ATOM 33 CG2 ILE A 2 36.879 24.902 61.269 1.00 0.00 C ATOM 34 CD1 ILE A 2 36.762 22.726 64.558 1.00 0.00 C ATOM 0 H ILE A 2 37.598 25.276 65.419 1.00 0.00 H new ATOM 0 HA ILE A 2 39.014 25.243 62.910 1.00 0.00 H new ATOM 0 HB ILE A 2 36.080 25.062 63.343 1.00 0.00 H new ATOM 0 HG12 ILE A 2 36.296 22.697 62.470 1.00 0.00 H new ATOM 0 HG13 ILE A 2 38.008 22.831 62.822 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.083 24.274 60.869 1.00 0.00 H new ATOM 0 HG22 ILE A 2 36.665 25.947 61.042 1.00 0.00 H new ATOM 0 HG23 ILE A 2 37.828 24.619 60.814 1.00 0.00 H new ATOM 0 HD11 ILE A 2 36.837 21.640 64.609 1.00 0.00 H new ATOM 0 HD12 ILE A 2 37.501 23.172 65.223 1.00 0.00 H new ATOM 0 HD13 ILE A 2 35.763 23.035 64.866 1.00 0.00 H new ATOM 46 N CYS A 3 38.511 27.825 62.207 1.00 0.00 N ATOM 47 CA CYS A 3 38.158 29.174 61.754 1.00 0.00 C ATOM 48 C CYS A 3 38.699 29.314 60.274 1.00 0.00 C ATOM 49 O CYS A 3 39.739 28.757 59.926 1.00 0.00 O ATOM 50 CB CYS A 3 38.636 30.322 62.669 1.00 0.00 C ATOM 51 SG CYS A 3 38.897 29.728 64.383 1.00 0.00 S ATOM 0 H CYS A 3 39.394 27.477 61.834 1.00 0.00 H new ATOM 0 HA CYS A 3 37.074 29.281 61.795 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.564 30.740 62.280 1.00 0.00 H new ATOM 0 HB3 CYS A 3 37.899 31.125 62.667 1.00 0.00 H new ATOM 56 N TYR A 4 37.960 30.082 59.370 1.00 0.00 N ATOM 57 CA TYR A 4 38.169 29.819 57.926 1.00 0.00 C ATOM 58 C TYR A 4 39.237 30.733 57.240 1.00 0.00 C ATOM 59 O TYR A 4 39.353 31.910 57.561 1.00 0.00 O ATOM 60 CB TYR A 4 36.839 30.038 57.167 1.00 0.00 C ATOM 61 CG TYR A 4 35.551 29.621 57.883 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.455 28.613 58.845 1.00 0.00 C ATOM 63 CD2 TYR A 4 34.381 30.323 57.588 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.264 28.335 59.498 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.174 30.044 58.207 1.00 0.00 C ATOM 66 CZ TYR A 4 33.090 29.034 59.168 1.00 0.00 C ATOM 67 OH TYR A 4 31.919 28.697 59.781 1.00 0.00 O ATOM 0 H TYR A 4 37.287 30.810 59.607 1.00 0.00 H new ATOM 0 HA TYR A 4 38.531 28.792 57.875 1.00 0.00 H new ATOM 0 HB2 TYR A 4 36.761 31.097 56.919 1.00 0.00 H new ATOM 0 HB3 TYR A 4 36.894 29.493 56.224 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.334 28.034 59.087 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.418 31.112 56.851 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.238 27.576 60.266 1.00 0.00 H new ATOM 0 HE2 TYR A 4 32.293 30.611 57.945 1.00 0.00 H new ATOM 0 HH TYR A 4 31.198 29.271 59.448 1.00 0.00 H new ATOM 77 N ASN A 5 39.980 30.204 56.192 1.00 0.00 N ATOM 78 CA ASN A 5 41.017 31.018 55.515 1.00 0.00 C ATOM 79 C ASN A 5 40.630 31.188 54.022 1.00 0.00 C ATOM 80 O ASN A 5 41.495 31.253 53.155 1.00 0.00 O ATOM 81 CB ASN A 5 42.453 30.480 55.733 1.00 0.00 C ATOM 82 CG ASN A 5 42.697 29.030 55.349 1.00 0.00 C ATOM 83 OD1 ASN A 5 41.827 28.200 55.159 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.008 28.711 55.279 1.00 0.00 N ATOM 0 H ASN A 5 39.871 29.258 55.827 1.00 0.00 H new ATOM 0 HA ASN A 5 41.045 32.007 55.973 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.142 31.105 55.164 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.707 30.602 56.786 1.00 0.00 H new ATOM 0 HD21 ASN A 5 44.289 27.755 55.062 1.00 0.00 H new ATOM 0 HD22 ASN A 5 44.716 29.426 55.443 1.00 0.00 H new ATOM 91 N HIS A 6 39.277 31.355 53.777 1.00 0.00 N ATOM 92 CA HIS A 6 38.619 31.412 52.483 1.00 0.00 C ATOM 93 C HIS A 6 38.712 32.820 51.798 1.00 0.00 C ATOM 94 O HIS A 6 39.600 33.617 52.084 1.00 0.00 O ATOM 95 CB HIS A 6 38.883 30.170 51.546 1.00 0.00 C ATOM 96 CG HIS A 6 40.195 30.116 50.827 1.00 0.00 C ATOM 97 ND1 HIS A 6 40.857 28.909 50.523 1.00 0.00 N ATOM 98 CD2 HIS A 6 40.985 31.063 50.239 1.00 0.00 C ATOM 99 CE1 HIS A 6 41.980 29.107 49.841 1.00 0.00 C ATOM 100 NE2 HIS A 6 42.065 30.430 49.647 1.00 0.00 N ATOM 0 H HIS A 6 38.612 31.455 54.544 1.00 0.00 H new ATOM 0 HA HIS A 6 37.557 31.300 52.701 1.00 0.00 H new ATOM 0 HB2 HIS A 6 38.793 29.267 52.150 1.00 0.00 H new ATOM 0 HB3 HIS A 6 38.089 30.136 50.800 1.00 0.00 H new ATOM 0 HD2 HIS A 6 40.798 32.127 50.236 1.00 0.00 H new ATOM 0 HE1 HIS A 6 42.681 28.355 49.510 1.00 0.00 H new ATOM 0 HE2 HIS A 6 42.814 30.901 49.139 1.00 0.00 H new ATOM 109 N LEU A 7 37.715 33.126 50.887 1.00 0.00 N ATOM 110 CA LEU A 7 37.605 34.424 50.222 1.00 0.00 C ATOM 111 C LEU A 7 38.896 34.758 49.393 1.00 0.00 C ATOM 112 O LEU A 7 39.710 33.894 49.072 1.00 0.00 O ATOM 113 CB LEU A 7 37.066 35.565 51.125 1.00 0.00 C ATOM 114 CG LEU A 7 35.812 35.237 51.986 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.196 36.518 52.578 1.00 0.00 C ATOM 116 CD2 LEU A 7 34.705 34.513 51.203 1.00 0.00 C ATOM 0 H LEU A 7 36.987 32.465 50.616 1.00 0.00 H new ATOM 0 HA LEU A 7 36.807 34.336 49.484 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.867 35.877 51.795 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.830 36.419 50.491 1.00 0.00 H new ATOM 0 HG LEU A 7 36.176 34.575 52.772 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.321 36.259 53.175 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.931 37.017 53.209 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.899 37.186 51.770 1.00 0.00 H new ATOM 0 HD21 LEU A 7 33.861 34.315 51.864 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.377 35.139 50.373 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.091 33.570 50.815 1.00 0.00 H new ATOM 128 N GLY A 8 38.979 36.050 48.908 1.00 0.00 N ATOM 129 CA GLY A 8 40.108 36.473 48.071 1.00 0.00 C ATOM 130 C GLY A 8 39.823 36.239 46.578 1.00 0.00 C ATOM 131 O GLY A 8 39.926 37.155 45.769 1.00 0.00 O ATOM 0 H GLY A 8 38.287 36.777 49.090 1.00 0.00 H new ATOM 0 HA2 GLY A 8 40.313 37.530 48.242 1.00 0.00 H new ATOM 0 HA3 GLY A 8 41.003 35.924 48.362 1.00 0.00 H new ATOM 135 N THR A 9 39.542 34.932 46.225 1.00 0.00 N ATOM 136 CA THR A 9 39.446 34.481 44.839 1.00 0.00 C ATOM 137 C THR A 9 38.839 33.046 44.848 1.00 0.00 C ATOM 138 O THR A 9 37.996 32.727 44.010 1.00 0.00 O ATOM 139 CB THR A 9 40.823 34.447 44.096 1.00 0.00 C ATOM 140 OG1 THR A 9 41.324 35.758 43.812 1.00 0.00 O ATOM 141 CG2 THR A 9 40.878 33.733 42.730 1.00 0.00 C ATOM 0 H THR A 9 39.382 34.192 46.908 1.00 0.00 H new ATOM 0 HA THR A 9 38.821 35.193 44.300 1.00 0.00 H new ATOM 0 HB THR A 9 41.411 33.883 44.820 1.00 0.00 H new ATOM 0 HG1 THR A 9 40.874 36.412 44.386 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.891 33.787 42.332 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.592 32.688 42.854 1.00 0.00 H new ATOM 0 HG23 THR A 9 40.190 34.218 42.038 1.00 0.00 H new ATOM 149 N LYS A 10 39.281 32.172 45.826 1.00 0.00 N ATOM 150 CA LYS A 10 38.806 30.777 45.975 1.00 0.00 C ATOM 151 C LYS A 10 38.030 30.714 47.357 1.00 0.00 C ATOM 152 O LYS A 10 38.698 30.607 48.379 1.00 0.00 O ATOM 153 CB LYS A 10 39.987 29.768 45.988 1.00 0.00 C ATOM 154 CG LYS A 10 40.790 29.569 44.671 1.00 0.00 C ATOM 155 CD LYS A 10 39.978 28.992 43.488 1.00 0.00 C ATOM 156 CE LYS A 10 40.823 28.667 42.242 1.00 0.00 C ATOM 157 NZ LYS A 10 39.926 28.164 41.101 1.00 0.00 N ATOM 0 H LYS A 10 39.977 32.435 46.524 1.00 0.00 H new ATOM 0 HA LYS A 10 38.168 30.505 45.135 1.00 0.00 H new ATOM 0 HB2 LYS A 10 40.687 30.083 46.762 1.00 0.00 H new ATOM 0 HB3 LYS A 10 39.594 28.797 46.290 1.00 0.00 H new ATOM 0 HG2 LYS A 10 41.208 30.530 44.370 1.00 0.00 H new ATOM 0 HG3 LYS A 10 41.630 28.905 44.873 1.00 0.00 H new ATOM 0 HD2 LYS A 10 39.472 28.084 43.817 1.00 0.00 H new ATOM 0 HD3 LYS A 10 39.203 29.706 43.211 1.00 0.00 H new ATOM 0 HE2 LYS A 10 41.366 29.556 41.921 1.00 0.00 H new ATOM 0 HE3 LYS A 10 41.568 27.910 42.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 40.511 27.949 40.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 39.427 27.303 41.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 39.231 28.898 40.856 1.00 0.00 H new ATOM 171 N PRO A 11 36.626 30.645 47.433 1.00 0.00 N ATOM 172 CA PRO A 11 35.999 30.587 48.782 1.00 0.00 C ATOM 173 C PRO A 11 35.928 29.234 49.613 1.00 0.00 C ATOM 174 O PRO A 11 35.526 29.354 50.772 1.00 0.00 O ATOM 175 CB PRO A 11 34.567 31.122 48.606 1.00 0.00 C ATOM 176 CG PRO A 11 34.723 32.123 47.459 1.00 0.00 C ATOM 177 CD PRO A 11 35.724 31.402 46.546 1.00 0.00 C ATOM 0 HA PRO A 11 36.687 31.164 49.400 1.00 0.00 H new ATOM 0 HB2 PRO A 11 33.865 30.326 48.357 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.198 31.600 49.514 1.00 0.00 H new ATOM 0 HG2 PRO A 11 33.776 32.317 46.955 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.104 33.084 47.804 1.00 0.00 H new ATOM 0 HD2 PRO A 11 35.209 30.735 45.855 1.00 0.00 H new ATOM 0 HD3 PRO A 11 36.283 32.117 45.942 1.00 0.00 H new ATOM 185 N PRO A 12 36.422 28.003 49.165 1.00 0.00 N ATOM 186 CA PRO A 12 36.183 26.780 49.962 1.00 0.00 C ATOM 187 C PRO A 12 37.013 26.318 51.205 1.00 0.00 C ATOM 188 O PRO A 12 36.443 25.507 51.940 1.00 0.00 O ATOM 189 CB PRO A 12 36.443 25.643 48.951 1.00 0.00 C ATOM 190 CG PRO A 12 35.930 26.207 47.627 1.00 0.00 C ATOM 191 CD PRO A 12 36.316 27.685 47.738 1.00 0.00 C ATOM 0 HA PRO A 12 35.217 27.010 50.410 1.00 0.00 H new ATOM 0 HB2 PRO A 12 37.502 25.392 48.895 1.00 0.00 H new ATOM 0 HB3 PRO A 12 35.914 24.732 49.229 1.00 0.00 H new ATOM 0 HG2 PRO A 12 36.400 25.726 46.769 1.00 0.00 H new ATOM 0 HG3 PRO A 12 34.854 26.074 47.517 1.00 0.00 H new ATOM 0 HD2 PRO A 12 37.262 27.874 47.231 1.00 0.00 H new ATOM 0 HD3 PRO A 12 35.566 28.315 47.259 1.00 0.00 H new ATOM 199 N THR A 13 38.331 26.701 51.469 1.00 0.00 N ATOM 200 CA THR A 13 39.007 26.051 52.606 1.00 0.00 C ATOM 201 C THR A 13 38.682 26.710 53.981 1.00 0.00 C ATOM 202 O THR A 13 38.741 27.916 54.218 1.00 0.00 O ATOM 203 CB THR A 13 40.552 25.873 52.547 1.00 0.00 C ATOM 204 OG1 THR A 13 41.325 27.066 52.637 1.00 0.00 O ATOM 205 CG2 THR A 13 41.031 25.121 51.295 1.00 0.00 C ATOM 0 H THR A 13 38.874 27.390 50.949 1.00 0.00 H new ATOM 0 HA THR A 13 38.574 25.055 52.510 1.00 0.00 H new ATOM 0 HB THR A 13 40.727 25.288 53.450 1.00 0.00 H new ATOM 0 HG1 THR A 13 41.236 27.577 51.805 1.00 0.00 H new ATOM 0 HG21 THR A 13 42.117 25.032 51.317 1.00 0.00 H new ATOM 0 HG22 THR A 13 40.586 24.126 51.275 1.00 0.00 H new ATOM 0 HG23 THR A 13 40.730 25.671 50.403 1.00 0.00 H new ATOM 213 N THR A 14 38.448 25.778 54.964 1.00 0.00 N ATOM 214 CA THR A 14 38.267 26.095 56.371 1.00 0.00 C ATOM 215 C THR A 14 39.448 25.404 57.107 1.00 0.00 C ATOM 216 O THR A 14 39.863 24.285 56.798 1.00 0.00 O ATOM 217 CB THR A 14 36.910 25.694 56.936 1.00 0.00 C ATOM 218 OG1 THR A 14 36.748 24.275 56.937 1.00 0.00 O ATOM 219 CG2 THR A 14 35.772 26.372 56.148 1.00 0.00 C ATOM 0 H THR A 14 38.384 24.779 54.768 1.00 0.00 H new ATOM 0 HA THR A 14 38.274 27.175 56.515 1.00 0.00 H new ATOM 0 HB THR A 14 36.864 26.035 57.970 1.00 0.00 H new ATOM 0 HG1 THR A 14 35.869 24.046 57.306 1.00 0.00 H new ATOM 0 HG21 THR A 14 34.811 26.073 56.567 1.00 0.00 H new ATOM 0 HG22 THR A 14 35.877 27.455 56.217 1.00 0.00 H new ATOM 0 HG23 THR A 14 35.822 26.068 55.102 1.00 0.00 H new ATOM 227 N GLU A 15 40.043 26.157 58.103 1.00 0.00 N ATOM 228 CA GLU A 15 41.283 25.682 58.725 1.00 0.00 C ATOM 229 C GLU A 15 40.872 25.041 60.068 1.00 0.00 C ATOM 230 O GLU A 15 40.744 25.717 61.090 1.00 0.00 O ATOM 231 CB GLU A 15 42.403 26.729 58.931 1.00 0.00 C ATOM 232 CG GLU A 15 43.778 26.082 59.247 1.00 0.00 C ATOM 233 CD GLU A 15 44.467 25.653 57.956 1.00 0.00 C ATOM 234 OE1 GLU A 15 45.055 26.402 57.190 1.00 0.00 O ATOM 235 OE2 GLU A 15 44.369 24.344 57.744 1.00 0.00 O ATOM 0 H GLU A 15 39.687 27.044 58.458 1.00 0.00 H new ATOM 0 HA GLU A 15 41.747 24.981 58.032 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.492 27.341 58.033 1.00 0.00 H new ATOM 0 HB3 GLU A 15 42.125 27.397 59.746 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.407 26.791 59.785 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.641 25.219 59.899 1.00 0.00 H new ATOM 243 N THR A 16 40.639 23.663 60.057 1.00 0.00 N ATOM 244 CA THR A 16 40.653 23.001 61.360 1.00 0.00 C ATOM 245 C THR A 16 42.108 23.242 61.876 1.00 0.00 C ATOM 246 O THR A 16 43.103 22.935 61.217 1.00 0.00 O ATOM 247 CB THR A 16 40.338 21.485 61.405 1.00 0.00 C ATOM 248 OG1 THR A 16 40.187 21.041 62.756 1.00 0.00 O ATOM 249 CG2 THR A 16 41.316 20.581 60.638 1.00 0.00 C ATOM 0 H THR A 16 40.462 23.078 59.240 1.00 0.00 H new ATOM 0 HA THR A 16 39.844 23.419 61.959 1.00 0.00 H new ATOM 0 HB THR A 16 39.394 21.382 60.869 1.00 0.00 H new ATOM 0 HG1 THR A 16 39.987 20.082 62.765 1.00 0.00 H new ATOM 0 HG21 THR A 16 41.003 19.541 60.735 1.00 0.00 H new ATOM 0 HG22 THR A 16 41.321 20.862 59.585 1.00 0.00 H new ATOM 0 HG23 THR A 16 42.319 20.698 61.050 1.00 0.00 H new ATOM 257 N CYS A 17 42.229 23.793 63.138 1.00 0.00 N ATOM 258 CA CYS A 17 43.553 24.139 63.643 1.00 0.00 C ATOM 259 C CYS A 17 43.641 23.838 65.158 1.00 0.00 C ATOM 260 O CYS A 17 42.700 24.018 65.931 1.00 0.00 O ATOM 261 CB CYS A 17 43.846 25.602 63.400 1.00 0.00 C ATOM 262 SG CYS A 17 45.589 26.073 63.483 1.00 0.00 S ATOM 0 H CYS A 17 41.453 23.987 63.771 1.00 0.00 H new ATOM 0 HA CYS A 17 44.291 23.537 63.113 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.461 25.873 62.417 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.294 26.191 64.132 1.00 0.00 H new ATOM 267 N GLN A 18 44.888 23.433 65.568 1.00 0.00 N ATOM 268 CA GLN A 18 45.184 23.036 66.945 1.00 0.00 C ATOM 269 C GLN A 18 45.880 24.219 67.716 1.00 0.00 C ATOM 270 O GLN A 18 46.240 24.059 68.881 1.00 0.00 O ATOM 271 CB GLN A 18 45.951 21.695 67.057 1.00 0.00 C ATOM 272 CG GLN A 18 45.637 20.543 66.060 1.00 0.00 C ATOM 273 CD GLN A 18 44.146 20.222 65.901 1.00 0.00 C ATOM 274 OE1 GLN A 18 43.424 20.765 65.084 1.00 0.00 O ATOM 275 NE2 GLN A 18 43.688 19.231 66.698 1.00 0.00 N ATOM 0 H GLN A 18 45.693 23.381 64.943 1.00 0.00 H new ATOM 0 HA GLN A 18 44.232 22.833 67.436 1.00 0.00 H new ATOM 0 HB2 GLN A 18 47.014 21.920 66.971 1.00 0.00 H new ATOM 0 HB3 GLN A 18 45.787 21.309 68.063 1.00 0.00 H new ATOM 0 HG2 GLN A 18 46.045 20.805 65.084 1.00 0.00 H new ATOM 0 HG3 GLN A 18 46.155 19.643 66.391 1.00 0.00 H new ATOM 0 HE21 GLN A 18 44.312 18.791 67.375 1.00 0.00 H new ATOM 0 HE22 GLN A 18 42.719 18.923 66.623 1.00 0.00 H new ATOM 284 N GLU A 19 46.075 25.438 67.068 1.00 0.00 N ATOM 285 CA GLU A 19 46.564 26.644 67.740 1.00 0.00 C ATOM 286 C GLU A 19 45.288 27.199 68.469 1.00 0.00 C ATOM 287 O GLU A 19 44.312 27.610 67.843 1.00 0.00 O ATOM 288 CB GLU A 19 47.164 27.655 66.743 1.00 0.00 C ATOM 289 CG GLU A 19 48.520 27.209 66.149 1.00 0.00 C ATOM 290 CD GLU A 19 49.569 27.088 67.256 1.00 0.00 C ATOM 291 OE1 GLU A 19 49.804 27.927 68.101 1.00 0.00 O ATOM 292 OE2 GLU A 19 50.222 25.928 67.188 1.00 0.00 O ATOM 0 H GLU A 19 45.889 25.574 66.074 1.00 0.00 H new ATOM 0 HA GLU A 19 47.381 26.443 68.433 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.456 27.815 65.930 1.00 0.00 H new ATOM 0 HB3 GLU A 19 47.295 28.614 67.245 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.405 26.252 65.641 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.852 27.929 65.401 1.00 0.00 H new ATOM 300 N ASP A 20 45.350 27.207 69.860 1.00 0.00 N ATOM 301 CA ASP A 20 44.251 27.391 70.813 1.00 0.00 C ATOM 302 C ASP A 20 43.456 28.755 70.747 1.00 0.00 C ATOM 303 O ASP A 20 42.600 28.977 71.612 1.00 0.00 O ATOM 304 CB ASP A 20 43.338 26.154 70.953 1.00 0.00 C ATOM 305 CG ASP A 20 42.451 25.899 69.711 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.785 26.879 69.351 1.00 0.00 O ATOM 307 OD2 ASP A 20 42.463 24.782 69.189 1.00 0.00 O ATOM 0 H ASP A 20 46.240 27.074 70.341 1.00 0.00 H new ATOM 0 HA ASP A 20 44.791 27.491 71.754 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.956 25.275 71.135 1.00 0.00 H new ATOM 0 HB3 ASP A 20 42.699 26.281 71.827 1.00 0.00 H new ATOM 312 N SER A 21 43.761 29.718 69.804 1.00 0.00 N ATOM 313 CA SER A 21 42.963 30.933 69.660 1.00 0.00 C ATOM 314 C SER A 21 43.035 31.384 68.169 1.00 0.00 C ATOM 315 O SER A 21 44.033 31.169 67.472 1.00 0.00 O ATOM 316 CB SER A 21 43.367 32.104 70.571 1.00 0.00 C ATOM 317 OG SER A 21 44.628 32.692 70.284 1.00 0.00 O ATOM 0 H SER A 21 44.546 29.651 69.156 1.00 0.00 H new ATOM 0 HA SER A 21 41.952 30.674 69.973 1.00 0.00 H new ATOM 0 HB2 SER A 21 42.601 32.876 70.503 1.00 0.00 H new ATOM 0 HB3 SER A 21 43.375 31.753 71.603 1.00 0.00 H new ATOM 0 HG SER A 21 45.263 32.468 70.996 1.00 0.00 H new ATOM 323 N CYS A 22 41.910 32.022 67.670 1.00 0.00 N ATOM 324 CA CYS A 22 41.874 32.372 66.256 1.00 0.00 C ATOM 325 C CYS A 22 41.255 33.765 65.991 1.00 0.00 C ATOM 326 O CYS A 22 40.440 34.298 66.740 1.00 0.00 O ATOM 327 CB CYS A 22 41.174 31.286 65.396 1.00 0.00 C ATOM 328 SG CYS A 22 39.366 31.487 65.343 1.00 0.00 S ATOM 0 H CYS A 22 41.084 32.276 68.212 1.00 0.00 H new ATOM 0 HA CYS A 22 42.918 32.422 65.946 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.569 31.322 64.381 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.414 30.301 65.796 1.00 0.00 H new ATOM 333 N TYR A 23 41.683 34.340 64.814 1.00 0.00 N ATOM 334 CA TYR A 23 41.461 35.759 64.569 1.00 0.00 C ATOM 335 C TYR A 23 40.932 36.059 63.150 1.00 0.00 C ATOM 336 O TYR A 23 41.267 35.398 62.166 1.00 0.00 O ATOM 337 CB TYR A 23 42.802 36.531 64.791 1.00 0.00 C ATOM 338 CG TYR A 23 43.914 36.065 63.869 1.00 0.00 C ATOM 339 CD1 TYR A 23 44.690 34.935 64.139 1.00 0.00 C ATOM 340 CD2 TYR A 23 44.209 36.777 62.711 1.00 0.00 C ATOM 341 CE1 TYR A 23 45.744 34.571 63.316 1.00 0.00 C ATOM 342 CE2 TYR A 23 45.274 36.446 61.884 1.00 0.00 C ATOM 343 CZ TYR A 23 46.071 35.339 62.185 1.00 0.00 C ATOM 344 OH TYR A 23 47.145 34.967 61.432 1.00 0.00 O ATOM 0 H TYR A 23 42.163 33.841 64.065 1.00 0.00 H new ATOM 0 HA TYR A 23 40.693 36.088 65.269 1.00 0.00 H new ATOM 0 HB2 TYR A 23 42.631 37.596 64.636 1.00 0.00 H new ATOM 0 HB3 TYR A 23 43.120 36.406 65.826 1.00 0.00 H new ATOM 0 HD1 TYR A 23 44.464 34.333 65.007 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.586 37.619 62.445 1.00 0.00 H new ATOM 0 HE1 TYR A 23 46.321 33.687 63.546 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.486 37.043 61.010 1.00 0.00 H new ATOM 0 HH TYR A 23 47.250 35.589 60.682 1.00 0.00 H new ATOM 354 N LYS A 24 40.087 37.155 63.094 1.00 0.00 N ATOM 355 CA LYS A 24 39.491 37.654 61.853 1.00 0.00 C ATOM 356 C LYS A 24 40.286 38.952 61.450 1.00 0.00 C ATOM 357 O LYS A 24 40.443 39.915 62.197 1.00 0.00 O ATOM 358 CB LYS A 24 37.973 37.936 61.917 1.00 0.00 C ATOM 359 CG LYS A 24 37.045 36.700 62.068 1.00 0.00 C ATOM 360 CD LYS A 24 37.012 36.028 63.469 1.00 0.00 C ATOM 361 CE LYS A 24 37.042 34.488 63.459 1.00 0.00 C ATOM 362 NZ LYS A 24 35.627 33.915 63.348 1.00 0.00 N ATOM 0 H LYS A 24 39.820 37.693 63.919 1.00 0.00 H new ATOM 0 HA LYS A 24 39.574 36.866 61.104 1.00 0.00 H new ATOM 0 HB2 LYS A 24 37.786 38.608 62.755 1.00 0.00 H new ATOM 0 HB3 LYS A 24 37.686 38.469 61.011 1.00 0.00 H new ATOM 0 HG2 LYS A 24 36.030 37.001 61.810 1.00 0.00 H new ATOM 0 HG3 LYS A 24 37.351 35.952 61.337 1.00 0.00 H new ATOM 0 HD2 LYS A 24 37.863 36.388 64.047 1.00 0.00 H new ATOM 0 HD3 LYS A 24 36.112 36.354 63.990 1.00 0.00 H new ATOM 0 HE2 LYS A 24 37.647 34.137 62.623 1.00 0.00 H new ATOM 0 HE3 LYS A 24 37.516 34.124 64.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 35.673 32.876 63.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 35.059 34.233 64.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 35.187 34.246 62.466 1.00 0.00 H new ATOM 376 N ASN A 25 40.778 38.944 60.161 1.00 0.00 N ATOM 377 CA ASN A 25 41.629 39.973 59.533 1.00 0.00 C ATOM 378 C ASN A 25 40.761 40.524 58.334 1.00 0.00 C ATOM 379 O ASN A 25 40.253 39.758 57.519 1.00 0.00 O ATOM 380 CB ASN A 25 42.927 39.314 59.111 1.00 0.00 C ATOM 381 CG ASN A 25 43.997 40.317 58.785 1.00 0.00 C ATOM 382 OD1 ASN A 25 44.741 40.795 59.620 1.00 0.00 O ATOM 383 ND2 ASN A 25 44.041 40.663 57.486 1.00 0.00 N ATOM 0 H ASN A 25 40.571 38.178 59.520 1.00 0.00 H new ATOM 0 HA ASN A 25 41.915 40.802 60.181 1.00 0.00 H new ATOM 0 HB2 ASN A 25 43.276 38.660 59.910 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.746 38.684 58.240 1.00 0.00 H new ATOM 0 HD21 ASN A 25 44.719 41.354 57.165 1.00 0.00 H new ATOM 0 HD22 ASN A 25 43.396 40.235 56.822 1.00 0.00 H new ATOM 390 N ILE A 26 40.625 41.917 58.240 1.00 0.00 N ATOM 391 CA ILE A 26 39.365 42.500 57.680 1.00 0.00 C ATOM 392 C ILE A 26 39.522 43.718 56.690 1.00 0.00 C ATOM 393 O ILE A 26 38.570 44.412 56.340 1.00 0.00 O ATOM 394 CB ILE A 26 38.542 42.914 58.930 1.00 0.00 C ATOM 395 CG1 ILE A 26 39.165 43.966 59.894 1.00 0.00 C ATOM 396 CG2 ILE A 26 38.253 41.680 59.812 1.00 0.00 C ATOM 397 CD1 ILE A 26 39.514 45.349 59.340 1.00 0.00 C ATOM 0 H ILE A 26 41.331 42.595 58.528 1.00 0.00 H new ATOM 0 HA ILE A 26 38.891 41.752 57.045 1.00 0.00 H new ATOM 0 HB ILE A 26 37.665 43.374 58.475 1.00 0.00 H new ATOM 0 HG12 ILE A 26 38.472 44.107 60.723 1.00 0.00 H new ATOM 0 HG13 ILE A 26 40.076 43.536 60.309 1.00 0.00 H new ATOM 0 HG21 ILE A 26 37.675 41.984 60.685 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.685 40.948 59.238 1.00 0.00 H new ATOM 0 HG23 ILE A 26 39.194 41.236 60.136 1.00 0.00 H new ATOM 0 HD11 ILE A 26 39.938 45.963 60.135 1.00 0.00 H new ATOM 0 HD12 ILE A 26 40.241 45.245 58.535 1.00 0.00 H new ATOM 0 HD13 ILE A 26 38.612 45.825 58.955 1.00 0.00 H new ATOM 409 N TRP A 27 40.793 43.902 56.220 1.00 0.00 N ATOM 410 CA TRP A 27 41.434 44.999 55.470 1.00 0.00 C ATOM 411 C TRP A 27 42.084 44.310 54.199 1.00 0.00 C ATOM 412 O TRP A 27 41.379 43.946 53.264 1.00 0.00 O ATOM 413 CB TRP A 27 42.446 45.837 56.354 1.00 0.00 C ATOM 414 CG TRP A 27 42.982 45.079 57.543 1.00 0.00 C ATOM 415 CD1 TRP A 27 43.168 43.677 57.552 1.00 0.00 C ATOM 416 CD2 TRP A 27 43.279 45.459 58.851 1.00 0.00 C ATOM 417 NE1 TRP A 27 43.439 43.186 58.789 1.00 0.00 N ATOM 418 CE2 TRP A 27 43.573 44.304 59.581 1.00 0.00 C ATOM 419 CE3 TRP A 27 43.306 46.688 59.553 1.00 0.00 C ATOM 420 CZ2 TRP A 27 43.935 44.258 60.886 1.00 0.00 C ATOM 421 CZ3 TRP A 27 43.688 46.690 60.889 1.00 0.00 C ATOM 422 CH2 TRP A 27 44.016 45.486 61.550 1.00 0.00 C ATOM 0 H TRP A 27 41.481 43.169 56.391 1.00 0.00 H new ATOM 0 HA TRP A 27 40.715 45.758 55.160 1.00 0.00 H new ATOM 0 HB2 TRP A 27 43.281 46.156 55.731 1.00 0.00 H new ATOM 0 HB3 TRP A 27 41.947 46.740 56.705 1.00 0.00 H new ATOM 0 HD1 TRP A 27 43.101 43.061 56.667 1.00 0.00 H new ATOM 0 HE1 TRP A 27 43.524 42.209 59.068 1.00 0.00 H new ATOM 0 HE3 TRP A 27 43.034 47.609 59.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 44.149 43.325 61.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 43.735 47.624 61.429 1.00 0.00 H new ATOM 0 HH2 TRP A 27 44.334 45.514 62.582 1.00 0.00 H new ATOM 433 N THR A 28 43.465 44.126 54.168 1.00 0.00 N ATOM 434 CA THR A 28 44.184 43.442 53.079 1.00 0.00 C ATOM 435 C THR A 28 44.282 44.312 51.758 1.00 0.00 C ATOM 436 O THR A 28 43.556 45.287 51.581 1.00 0.00 O ATOM 437 CB THR A 28 43.686 42.005 52.738 1.00 0.00 C ATOM 438 OG1 THR A 28 44.644 41.292 51.956 1.00 0.00 O ATOM 439 CG2 THR A 28 43.208 41.116 53.900 1.00 0.00 C ATOM 0 H THR A 28 44.081 44.458 54.910 1.00 0.00 H new ATOM 0 HA THR A 28 45.183 43.320 53.498 1.00 0.00 H new ATOM 0 HB THR A 28 42.779 42.212 52.170 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.200 40.893 51.178 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.892 40.148 53.511 1.00 0.00 H new ATOM 0 HG22 THR A 28 44.024 40.974 54.609 1.00 0.00 H new ATOM 0 HG23 THR A 28 42.369 41.596 54.404 1.00 0.00 H new ATOM 447 N PHE A 29 45.225 43.923 50.807 1.00 0.00 N ATOM 448 CA PHE A 29 45.362 44.648 49.535 1.00 0.00 C ATOM 449 C PHE A 29 44.113 44.398 48.642 1.00 0.00 C ATOM 450 O PHE A 29 43.585 45.323 48.028 1.00 0.00 O ATOM 451 CB PHE A 29 46.592 44.264 48.688 1.00 0.00 C ATOM 452 CG PHE A 29 47.910 44.556 49.374 1.00 0.00 C ATOM 453 CD1 PHE A 29 48.389 45.864 49.504 1.00 0.00 C ATOM 454 CD2 PHE A 29 48.703 43.514 49.860 1.00 0.00 C ATOM 455 CE1 PHE A 29 49.618 46.128 50.109 1.00 0.00 C ATOM 456 CE2 PHE A 29 49.935 43.759 50.465 1.00 0.00 C ATOM 457 CZ PHE A 29 50.401 45.073 50.594 1.00 0.00 C ATOM 0 H PHE A 29 45.864 43.136 50.920 1.00 0.00 H new ATOM 0 HA PHE A 29 45.476 45.690 49.833 1.00 0.00 H new ATOM 0 HB2 PHE A 29 46.542 43.201 48.450 1.00 0.00 H new ATOM 0 HB3 PHE A 29 46.556 44.805 47.742 1.00 0.00 H new ATOM 0 HD1 PHE A 29 47.796 46.685 49.129 1.00 0.00 H new ATOM 0 HD2 PHE A 29 48.354 42.496 49.765 1.00 0.00 H new ATOM 0 HE1 PHE A 29 49.966 47.146 50.203 1.00 0.00 H new ATOM 0 HE2 PHE A 29 50.529 42.936 50.834 1.00 0.00 H new ATOM 0 HZ PHE A 29 51.354 45.271 51.062 1.00 0.00 H new ATOM 467 N ASP A 30 43.694 43.089 48.538 1.00 0.00 N ATOM 468 CA ASP A 30 42.523 42.620 47.816 1.00 0.00 C ATOM 469 C ASP A 30 41.178 43.114 48.478 1.00 0.00 C ATOM 470 O ASP A 30 40.138 42.893 47.857 1.00 0.00 O ATOM 471 CB ASP A 30 42.577 41.091 47.592 1.00 0.00 C ATOM 472 CG ASP A 30 42.883 40.156 48.791 1.00 0.00 C ATOM 473 OD1 ASP A 30 43.350 40.681 49.803 1.00 0.00 O ATOM 474 OD2 ASP A 30 42.697 38.951 48.586 1.00 0.00 O ATOM 0 H ASP A 30 44.205 42.327 48.984 1.00 0.00 H new ATOM 0 HA ASP A 30 42.538 43.074 46.825 1.00 0.00 H new ATOM 0 HB2 ASP A 30 41.616 40.787 47.177 1.00 0.00 H new ATOM 0 HB3 ASP A 30 43.329 40.899 46.827 1.00 0.00 H new ATOM 479 N ASN A 31 41.144 43.824 49.682 1.00 0.00 N ATOM 480 CA ASN A 31 39.937 44.409 50.285 1.00 0.00 C ATOM 481 C ASN A 31 39.005 43.213 50.673 1.00 0.00 C ATOM 482 O ASN A 31 37.975 42.996 50.035 1.00 0.00 O ATOM 483 CB ASN A 31 39.259 45.492 49.440 1.00 0.00 C ATOM 484 CG ASN A 31 40.055 46.790 49.442 1.00 0.00 C ATOM 485 OD1 ASN A 31 39.874 47.675 50.259 1.00 0.00 O ATOM 486 ND2 ASN A 31 40.974 46.905 48.459 1.00 0.00 N ATOM 0 H ASN A 31 41.982 43.988 50.239 1.00 0.00 H new ATOM 0 HA ASN A 31 40.208 44.976 51.175 1.00 0.00 H new ATOM 0 HB2 ASN A 31 39.146 45.136 48.416 1.00 0.00 H new ATOM 0 HB3 ASN A 31 38.257 45.679 49.825 1.00 0.00 H new ATOM 0 HD21 ASN A 31 41.540 47.751 48.386 1.00 0.00 H new ATOM 0 HD22 ASN A 31 41.102 46.146 47.790 1.00 0.00 H new ATOM 493 N ILE A 32 39.353 42.461 51.795 1.00 0.00 N ATOM 494 CA ILE A 32 38.614 41.232 52.067 1.00 0.00 C ATOM 495 C ILE A 32 38.762 40.702 53.532 1.00 0.00 C ATOM 496 O ILE A 32 39.642 41.109 54.287 1.00 0.00 O ATOM 497 CB ILE A 32 39.063 40.091 51.102 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.988 39.045 50.742 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.327 39.367 51.614 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.698 39.606 50.124 1.00 0.00 C ATOM 0 H ILE A 32 40.092 42.693 52.459 1.00 0.00 H new ATOM 0 HA ILE A 32 37.569 41.500 51.913 1.00 0.00 H new ATOM 0 HB ILE A 32 39.277 40.627 50.178 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.422 38.329 50.045 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.727 38.493 51.645 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.605 38.580 50.913 1.00 0.00 H new ATOM 0 HG22 ILE A 32 41.146 40.082 51.701 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.124 38.927 52.590 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.011 38.787 49.909 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.230 40.298 50.824 1.00 0.00 H new ATOM 0 HD13 ILE A 32 36.936 40.131 49.199 1.00 0.00 H new ATOM 512 N ILE A 33 37.854 39.714 53.884 1.00 0.00 N ATOM 513 CA ILE A 33 37.885 39.041 55.196 1.00 0.00 C ATOM 514 C ILE A 33 38.583 37.659 54.927 1.00 0.00 C ATOM 515 O ILE A 33 37.963 36.701 54.466 1.00 0.00 O ATOM 516 CB ILE A 33 36.547 38.834 55.938 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.557 40.024 56.017 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.810 38.332 57.377 1.00 0.00 C ATOM 519 CD1 ILE A 33 35.022 40.605 54.696 1.00 0.00 C ATOM 0 H ILE A 33 37.110 39.387 53.267 1.00 0.00 H new ATOM 0 HA ILE A 33 38.411 39.702 55.884 1.00 0.00 H new ATOM 0 HB ILE A 33 36.044 38.104 55.304 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.702 39.708 56.614 1.00 0.00 H new ATOM 0 HG13 ILE A 33 36.046 40.830 56.563 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.860 38.189 57.892 1.00 0.00 H new ATOM 0 HG22 ILE A 33 37.348 37.385 57.339 1.00 0.00 H new ATOM 0 HG23 ILE A 33 37.407 39.068 57.915 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.342 41.430 54.910 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.855 40.969 54.095 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.489 39.829 54.146 1.00 0.00 H new ATOM 531 N ARG A 34 39.930 37.538 55.235 1.00 0.00 N ATOM 532 CA ARG A 34 40.600 36.244 55.049 1.00 0.00 C ATOM 533 C ARG A 34 41.774 36.199 56.070 1.00 0.00 C ATOM 534 O ARG A 34 42.515 37.156 56.282 1.00 0.00 O ATOM 535 CB ARG A 34 41.049 35.863 53.636 1.00 0.00 C ATOM 536 CG ARG A 34 42.295 36.536 53.064 1.00 0.00 C ATOM 537 CD ARG A 34 42.592 35.931 51.687 1.00 0.00 C ATOM 538 NE ARG A 34 43.875 36.270 51.041 1.00 0.00 N ATOM 539 CZ ARG A 34 44.575 37.340 51.359 1.00 0.00 C ATOM 540 NH1 ARG A 34 45.185 37.430 52.513 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.665 38.309 50.501 1.00 0.00 N ATOM 0 H ARG A 34 40.520 38.290 55.591 1.00 0.00 H new ATOM 0 HA ARG A 34 39.847 35.476 55.228 1.00 0.00 H new ATOM 0 HB2 ARG A 34 41.216 34.786 53.620 1.00 0.00 H new ATOM 0 HB3 ARG A 34 40.220 36.067 52.958 1.00 0.00 H new ATOM 0 HG2 ARG A 34 42.138 37.611 52.978 1.00 0.00 H new ATOM 0 HG3 ARG A 34 43.144 36.390 53.732 1.00 0.00 H new ATOM 0 HD2 ARG A 34 42.543 34.846 51.782 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.790 36.229 51.012 1.00 0.00 H new ATOM 0 HE ARG A 34 44.236 35.649 50.317 1.00 0.00 H new ATOM 0 HH11 ARG A 34 45.123 36.664 53.184 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.722 38.266 52.742 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.198 38.235 49.597 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.203 39.145 50.730 1.00 0.00 H new ATOM 555 N ARG A 35 41.906 34.973 56.733 1.00 0.00 N ATOM 556 CA ARG A 35 42.412 35.024 58.094 1.00 0.00 C ATOM 557 C ARG A 35 42.666 33.611 58.694 1.00 0.00 C ATOM 558 O ARG A 35 42.660 32.635 57.949 1.00 0.00 O ATOM 559 CB ARG A 35 41.422 35.902 58.907 1.00 0.00 C ATOM 560 CG ARG A 35 39.897 35.652 58.751 1.00 0.00 C ATOM 561 CD ARG A 35 39.343 34.398 59.429 1.00 0.00 C ATOM 562 NE ARG A 35 37.903 34.076 59.230 1.00 0.00 N ATOM 563 CZ ARG A 35 37.081 34.421 58.247 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.490 34.602 57.024 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.827 34.611 58.533 1.00 0.00 N ATOM 0 H ARG A 35 41.683 34.051 56.358 1.00 0.00 H new ATOM 0 HA ARG A 35 43.402 35.479 58.127 1.00 0.00 H new ATOM 0 HB2 ARG A 35 41.669 35.787 59.962 1.00 0.00 H new ATOM 0 HB3 ARG A 35 41.614 36.943 58.647 1.00 0.00 H new ATOM 0 HG2 ARG A 35 39.366 36.518 59.147 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.667 35.596 57.687 1.00 0.00 H new ATOM 0 HD2 ARG A 35 39.927 33.545 59.083 1.00 0.00 H new ATOM 0 HD3 ARG A 35 39.520 34.492 60.501 1.00 0.00 H new ATOM 0 HE ARG A 35 37.484 33.502 59.962 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.476 34.479 56.792 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.825 34.867 56.298 1.00 0.00 H new ATOM 0 HH21 ARG A 35 35.499 34.494 59.492 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.171 34.877 57.799 1.00 0.00 H new ATOM 579 N GLY A 36 42.984 33.514 60.047 1.00 0.00 N ATOM 580 CA GLY A 36 43.421 32.172 60.462 1.00 0.00 C ATOM 581 C GLY A 36 43.631 31.912 61.972 1.00 0.00 C ATOM 582 O GLY A 36 43.027 32.558 62.820 1.00 0.00 O ATOM 0 H GLY A 36 42.947 34.248 60.754 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.686 31.454 60.099 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.359 31.954 59.952 1.00 0.00 H new ATOM 586 N CYS A 37 44.469 30.849 62.273 1.00 0.00 N ATOM 587 CA CYS A 37 44.693 30.336 63.638 1.00 0.00 C ATOM 588 C CYS A 37 46.180 30.585 64.074 1.00 0.00 C ATOM 589 O CYS A 37 47.148 30.090 63.499 1.00 0.00 O ATOM 590 CB CYS A 37 44.363 28.826 63.730 1.00 0.00 C ATOM 591 SG CYS A 37 45.303 27.855 62.502 1.00 0.00 S ATOM 0 H CYS A 37 44.995 30.343 61.561 1.00 0.00 H new ATOM 0 HA CYS A 37 44.026 30.873 64.312 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.591 28.464 64.732 1.00 0.00 H new ATOM 0 HB3 CYS A 37 43.295 28.676 63.572 1.00 0.00 H new ATOM 596 N GLY A 38 46.346 31.459 65.137 1.00 0.00 N ATOM 597 CA GLY A 38 47.676 31.731 65.676 1.00 0.00 C ATOM 598 C GLY A 38 47.323 32.463 66.973 1.00 0.00 C ATOM 599 O GLY A 38 47.256 31.871 68.046 1.00 0.00 O ATOM 0 H GLY A 38 45.585 31.955 65.601 1.00 0.00 H new ATOM 0 HA2 GLY A 38 48.241 30.817 65.859 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.275 32.347 65.005 1.00 0.00 H new ATOM 603 N CYS A 39 47.020 33.814 66.832 1.00 0.00 N ATOM 604 CA CYS A 39 46.424 34.516 67.959 1.00 0.00 C ATOM 605 C CYS A 39 47.405 34.806 69.132 1.00 0.00 C ATOM 606 O CYS A 39 48.616 34.951 68.988 1.00 0.00 O ATOM 607 CB CYS A 39 45.735 35.830 67.558 1.00 0.00 C ATOM 608 SG CYS A 39 44.870 36.697 68.922 1.00 0.00 S ATOM 0 H CYS A 39 47.180 34.373 65.994 1.00 0.00 H new ATOM 0 HA CYS A 39 45.675 33.809 68.315 1.00 0.00 H new ATOM 0 HB2 CYS A 39 46.483 36.502 67.137 1.00 0.00 H new ATOM 0 HB3 CYS A 39 45.015 35.619 66.767 1.00 0.00 H new ATOM 613 N PHE A 40 46.751 34.957 70.338 1.00 0.00 N ATOM 614 CA PHE A 40 47.391 35.221 71.615 1.00 0.00 C ATOM 615 C PHE A 40 47.925 36.701 71.642 1.00 0.00 C ATOM 616 O PHE A 40 48.980 36.979 72.207 1.00 0.00 O ATOM 617 CB PHE A 40 48.365 34.111 72.068 1.00 0.00 C ATOM 618 CG PHE A 40 47.721 32.728 71.978 1.00 0.00 C ATOM 619 CD1 PHE A 40 46.640 32.354 72.790 1.00 0.00 C ATOM 620 CD2 PHE A 40 48.150 31.802 71.018 1.00 0.00 C ATOM 621 CE1 PHE A 40 46.025 31.109 72.658 1.00 0.00 C ATOM 622 CE2 PHE A 40 47.544 30.555 70.870 1.00 0.00 C ATOM 623 CZ PHE A 40 46.498 30.195 71.718 1.00 0.00 C ATOM 0 H PHE A 40 45.736 34.891 70.414 1.00 0.00 H new ATOM 0 HA PHE A 40 46.649 35.165 72.412 1.00 0.00 H new ATOM 0 HB2 PHE A 40 49.261 34.137 71.448 1.00 0.00 H new ATOM 0 HB3 PHE A 40 48.681 34.300 73.094 1.00 0.00 H new ATOM 0 HD1 PHE A 40 46.275 33.046 73.535 1.00 0.00 H new ATOM 0 HD2 PHE A 40 48.976 32.062 70.373 1.00 0.00 H new ATOM 0 HE1 PHE A 40 45.183 30.853 73.284 1.00 0.00 H new ATOM 0 HE2 PHE A 40 47.883 29.873 70.104 1.00 0.00 H new ATOM 0 HZ PHE A 40 46.056 29.212 71.647 1.00 0.00 H new ATOM 633 N THR A 41 47.095 37.679 71.095 1.00 0.00 N ATOM 634 CA THR A 41 47.342 39.130 71.210 1.00 0.00 C ATOM 635 C THR A 41 46.561 39.630 72.492 1.00 0.00 C ATOM 636 O THR A 41 45.415 39.238 72.722 1.00 0.00 O ATOM 637 CB THR A 41 46.867 40.021 70.009 1.00 0.00 C ATOM 638 OG1 THR A 41 45.448 40.089 69.839 1.00 0.00 O ATOM 639 CG2 THR A 41 47.532 41.407 69.972 1.00 0.00 C ATOM 0 H THR A 41 46.249 37.454 70.571 1.00 0.00 H new ATOM 0 HA THR A 41 48.426 39.241 71.247 1.00 0.00 H new ATOM 0 HB THR A 41 47.228 39.484 69.132 1.00 0.00 H new ATOM 0 HG1 THR A 41 45.110 39.213 69.559 1.00 0.00 H new ATOM 0 HG21 THR A 41 47.157 41.968 69.116 1.00 0.00 H new ATOM 0 HG22 THR A 41 47.299 41.947 70.890 1.00 0.00 H new ATOM 0 HG23 THR A 41 48.612 41.290 69.884 1.00 0.00 H new ATOM 647 N PRO A 42 47.165 40.580 73.314 1.00 0.00 N ATOM 648 CA PRO A 42 46.434 41.185 74.451 1.00 0.00 C ATOM 649 C PRO A 42 45.068 41.794 73.997 1.00 0.00 C ATOM 650 O PRO A 42 44.952 42.334 72.896 1.00 0.00 O ATOM 651 CB PRO A 42 47.385 42.282 74.952 1.00 0.00 C ATOM 652 CG PRO A 42 48.756 41.618 74.745 1.00 0.00 C ATOM 653 CD PRO A 42 48.582 40.935 73.382 1.00 0.00 C ATOM 0 HA PRO A 42 46.183 40.454 75.220 1.00 0.00 H new ATOM 0 HB2 PRO A 42 47.285 43.204 74.379 1.00 0.00 H new ATOM 0 HB3 PRO A 42 47.205 42.535 75.997 1.00 0.00 H new ATOM 0 HG2 PRO A 42 49.565 42.349 74.734 1.00 0.00 H new ATOM 0 HG3 PRO A 42 48.985 40.901 75.534 1.00 0.00 H new ATOM 0 HD2 PRO A 42 48.861 41.603 72.567 1.00 0.00 H new ATOM 0 HD3 PRO A 42 49.215 40.051 73.300 1.00 0.00 H new ATOM 661 N ARG A 43 44.020 41.766 74.914 1.00 0.00 N ATOM 662 CA ARG A 43 42.668 42.235 74.529 1.00 0.00 C ATOM 663 C ARG A 43 42.317 43.714 74.890 1.00 0.00 C ATOM 664 O ARG A 43 41.151 44.065 75.058 1.00 0.00 O ATOM 665 CB ARG A 43 41.562 41.223 74.901 1.00 0.00 C ATOM 666 CG ARG A 43 41.692 39.816 74.248 1.00 0.00 C ATOM 667 CD ARG A 43 41.965 39.825 72.726 1.00 0.00 C ATOM 668 NE ARG A 43 41.109 40.685 71.861 1.00 0.00 N ATOM 669 CZ ARG A 43 39.791 40.773 71.872 1.00 0.00 C ATOM 670 NH1 ARG A 43 39.054 39.874 72.466 1.00 0.00 N ATOM 671 NH2 ARG A 43 39.222 41.795 71.295 1.00 0.00 N ATOM 0 H ARG A 43 44.102 41.435 75.875 1.00 0.00 H new ATOM 0 HA ARG A 43 42.710 42.272 73.440 1.00 0.00 H new ATOM 0 HB2 ARG A 43 41.554 41.102 75.984 1.00 0.00 H new ATOM 0 HB3 ARG A 43 40.598 41.646 74.621 1.00 0.00 H new ATOM 0 HG2 ARG A 43 42.498 39.275 74.743 1.00 0.00 H new ATOM 0 HG3 ARG A 43 40.773 39.259 74.434 1.00 0.00 H new ATOM 0 HD2 ARG A 43 43.001 40.128 72.576 1.00 0.00 H new ATOM 0 HD3 ARG A 43 41.878 38.800 72.366 1.00 0.00 H new ATOM 0 HE ARG A 43 41.596 41.272 71.184 1.00 0.00 H new ATOM 0 HH11 ARG A 43 39.494 39.082 72.935 1.00 0.00 H new ATOM 0 HH12 ARG A 43 38.038 39.963 72.461 1.00 0.00 H new ATOM 0 HH21 ARG A 43 39.794 42.510 70.845 1.00 0.00 H new ATOM 0 HH22 ARG A 43 38.205 41.879 71.294 1.00 0.00 H new ATOM 685 N GLY A 44 43.375 44.616 74.857 1.00 0.00 N ATOM 686 CA GLY A 44 43.095 46.035 74.605 1.00 0.00 C ATOM 687 C GLY A 44 42.961 46.283 73.057 1.00 0.00 C ATOM 688 O GLY A 44 42.552 47.368 72.651 1.00 0.00 O ATOM 0 H GLY A 44 44.357 44.378 74.996 1.00 0.00 H new ATOM 0 HA2 GLY A 44 42.176 46.330 75.111 1.00 0.00 H new ATOM 0 HA3 GLY A 44 43.895 46.652 75.014 1.00 0.00 H new ATOM 692 N ASP A 45 43.350 45.268 72.193 1.00 0.00 N ATOM 693 CA ASP A 45 43.371 45.266 70.734 1.00 0.00 C ATOM 694 C ASP A 45 44.316 46.419 70.284 1.00 0.00 C ATOM 695 O ASP A 45 43.989 47.265 69.456 1.00 0.00 O ATOM 696 CB ASP A 45 42.019 45.135 69.995 1.00 0.00 C ATOM 697 CG ASP A 45 41.431 43.691 70.010 1.00 0.00 C ATOM 698 OD1 ASP A 45 42.145 42.785 70.451 1.00 0.00 O ATOM 699 OD2 ASP A 45 40.279 43.600 69.575 1.00 0.00 O ATOM 0 H ASP A 45 43.676 44.376 72.564 1.00 0.00 H new ATOM 0 HA ASP A 45 43.780 44.314 70.396 1.00 0.00 H new ATOM 0 HB2 ASP A 45 41.299 45.815 70.450 1.00 0.00 H new ATOM 0 HB3 ASP A 45 42.148 45.454 68.961 1.00 0.00 H new ATOM 704 N MET A 46 45.597 46.342 70.820 1.00 0.00 N ATOM 705 CA MET A 46 46.688 47.208 70.361 1.00 0.00 C ATOM 706 C MET A 46 47.122 46.643 68.951 1.00 0.00 C ATOM 707 O MET A 46 47.384 45.447 68.853 1.00 0.00 O ATOM 708 CB MET A 46 47.925 47.125 71.285 1.00 0.00 C ATOM 709 CG MET A 46 47.769 47.771 72.668 1.00 0.00 C ATOM 710 SD MET A 46 46.478 47.031 73.697 1.00 0.00 S ATOM 711 CE MET A 46 46.761 48.032 75.173 1.00 0.00 C ATOM 0 H MET A 46 45.864 45.689 71.557 1.00 0.00 H new ATOM 0 HA MET A 46 46.346 48.243 70.342 1.00 0.00 H new ATOM 0 HB2 MET A 46 48.183 46.075 71.422 1.00 0.00 H new ATOM 0 HB3 MET A 46 48.767 47.596 70.777 1.00 0.00 H new ATOM 0 HG2 MET A 46 48.720 47.704 73.196 1.00 0.00 H new ATOM 0 HG3 MET A 46 47.550 48.831 72.538 1.00 0.00 H new ATOM 0 HE1 MET A 46 46.058 47.737 75.953 1.00 0.00 H new ATOM 0 HE2 MET A 46 47.781 47.879 75.527 1.00 0.00 H new ATOM 0 HE3 MET A 46 46.615 49.085 74.932 1.00 0.00 H new ATOM 721 N PRO A 47 47.179 47.511 67.845 1.00 0.00 N ATOM 722 CA PRO A 47 47.629 47.114 66.461 1.00 0.00 C ATOM 723 C PRO A 47 47.546 45.581 66.225 1.00 0.00 C ATOM 724 O PRO A 47 48.558 44.901 66.065 1.00 0.00 O ATOM 725 CB PRO A 47 49.006 47.767 66.370 1.00 0.00 C ATOM 726 CG PRO A 47 48.673 49.171 66.906 1.00 0.00 C ATOM 727 CD PRO A 47 47.672 48.883 68.047 1.00 0.00 C ATOM 0 HA PRO A 47 46.993 47.456 65.645 1.00 0.00 H new ATOM 0 HB2 PRO A 47 49.751 47.255 66.979 1.00 0.00 H new ATOM 0 HB3 PRO A 47 49.389 47.791 65.350 1.00 0.00 H new ATOM 0 HG2 PRO A 47 49.563 49.685 67.270 1.00 0.00 H new ATOM 0 HG3 PRO A 47 48.234 49.803 66.134 1.00 0.00 H new ATOM 0 HD2 PRO A 47 48.155 48.981 69.019 1.00 0.00 H new ATOM 0 HD3 PRO A 47 46.848 49.596 68.028 1.00 0.00 H new ATOM 735 N GLY A 48 46.259 45.069 66.137 1.00 0.00 N ATOM 736 CA GLY A 48 46.019 43.638 65.950 1.00 0.00 C ATOM 737 C GLY A 48 44.701 43.361 65.183 1.00 0.00 C ATOM 738 O GLY A 48 43.819 44.213 65.082 1.00 0.00 O ATOM 0 H GLY A 48 45.413 45.636 66.195 1.00 0.00 H new ATOM 0 HA2 GLY A 48 46.854 43.200 65.404 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.981 43.147 66.923 1.00 0.00 H new ATOM 742 N PRO A 49 44.585 42.082 64.662 1.00 0.00 N ATOM 743 CA PRO A 49 43.296 41.613 64.157 1.00 0.00 C ATOM 744 C PRO A 49 42.278 41.524 65.335 1.00 0.00 C ATOM 745 O PRO A 49 42.607 41.597 66.519 1.00 0.00 O ATOM 746 CB PRO A 49 43.583 40.184 63.660 1.00 0.00 C ATOM 747 CG PRO A 49 44.673 39.726 64.638 1.00 0.00 C ATOM 748 CD PRO A 49 45.542 40.979 64.745 1.00 0.00 C ATOM 0 HA PRO A 49 42.886 42.269 63.389 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.698 39.549 63.707 1.00 0.00 H new ATOM 0 HB3 PRO A 49 43.929 40.172 62.627 1.00 0.00 H new ATOM 0 HG2 PRO A 49 44.260 39.431 65.603 1.00 0.00 H new ATOM 0 HG3 PRO A 49 45.232 38.872 64.256 1.00 0.00 H new ATOM 0 HD2 PRO A 49 46.096 41.001 65.683 1.00 0.00 H new ATOM 0 HD3 PRO A 49 46.276 41.026 63.940 1.00 0.00 H new ATOM 756 N TYR A 50 40.974 41.314 64.935 1.00 0.00 N ATOM 757 CA TYR A 50 39.904 41.145 65.925 1.00 0.00 C ATOM 758 C TYR A 50 40.057 39.618 66.299 1.00 0.00 C ATOM 759 O TYR A 50 39.748 38.721 65.515 1.00 0.00 O ATOM 760 CB TYR A 50 38.503 41.596 65.396 1.00 0.00 C ATOM 761 CG TYR A 50 37.408 40.585 65.670 1.00 0.00 C ATOM 762 CD1 TYR A 50 37.142 40.085 66.943 1.00 0.00 C ATOM 763 CD2 TYR A 50 36.645 40.091 64.614 1.00 0.00 C ATOM 764 CE1 TYR A 50 36.204 39.083 67.151 1.00 0.00 C ATOM 765 CE2 TYR A 50 35.702 39.096 64.797 1.00 0.00 C ATOM 766 CZ TYR A 50 35.473 38.564 66.078 1.00 0.00 C ATOM 767 OH TYR A 50 34.552 37.570 66.213 1.00 0.00 O ATOM 0 H TYR A 50 40.670 41.263 63.963 1.00 0.00 H new ATOM 0 HA TYR A 50 39.983 41.784 66.805 1.00 0.00 H new ATOM 0 HB2 TYR A 50 38.236 42.546 65.859 1.00 0.00 H new ATOM 0 HB3 TYR A 50 38.566 41.771 64.322 1.00 0.00 H new ATOM 0 HD1 TYR A 50 37.679 40.487 67.789 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.794 40.497 63.624 1.00 0.00 H new ATOM 0 HE1 TYR A 50 36.038 38.702 68.148 1.00 0.00 H new ATOM 0 HE2 TYR A 50 35.139 38.726 63.953 1.00 0.00 H new ATOM 0 HH TYR A 50 34.868 36.766 65.750 1.00 0.00 H new ATOM 777 N CYS A 51 40.546 39.322 67.571 1.00 0.00 N ATOM 778 CA CYS A 51 40.953 37.944 67.933 1.00 0.00 C ATOM 779 C CYS A 51 40.050 37.391 69.085 1.00 0.00 C ATOM 780 O CYS A 51 40.001 37.882 70.211 1.00 0.00 O ATOM 781 CB CYS A 51 42.428 37.855 68.324 1.00 0.00 C ATOM 782 SG CYS A 51 42.899 36.168 68.801 1.00 0.00 S ATOM 0 H CYS A 51 40.655 40.008 68.318 1.00 0.00 H new ATOM 0 HA CYS A 51 40.818 37.328 67.044 1.00 0.00 H new ATOM 0 HB2 CYS A 51 43.046 38.182 67.488 1.00 0.00 H new ATOM 0 HB3 CYS A 51 42.626 38.535 69.152 1.00 0.00 H new ATOM 787 N CYS A 52 39.313 36.270 68.751 1.00 0.00 N ATOM 788 CA CYS A 52 38.414 35.561 69.658 1.00 0.00 C ATOM 789 C CYS A 52 38.931 34.130 70.053 1.00 0.00 C ATOM 790 O CYS A 52 39.963 33.668 69.572 1.00 0.00 O ATOM 791 CB CYS A 52 37.046 35.515 69.001 1.00 0.00 C ATOM 792 SG CYS A 52 35.743 34.912 70.098 1.00 0.00 S ATOM 0 H CYS A 52 39.349 35.851 67.822 1.00 0.00 H new ATOM 0 HA CYS A 52 38.363 36.098 70.605 1.00 0.00 H new ATOM 0 HB2 CYS A 52 36.784 36.514 68.653 1.00 0.00 H new ATOM 0 HB3 CYS A 52 37.095 34.874 68.121 1.00 0.00 H new ATOM 797 N GLU A 53 38.171 33.431 70.978 1.00 0.00 N ATOM 798 CA GLU A 53 38.669 32.166 71.519 1.00 0.00 C ATOM 799 C GLU A 53 37.454 31.248 71.866 1.00 0.00 C ATOM 800 O GLU A 53 37.231 30.859 73.009 1.00 0.00 O ATOM 801 CB GLU A 53 39.662 32.435 72.671 1.00 0.00 C ATOM 802 CG GLU A 53 39.164 33.342 73.821 1.00 0.00 C ATOM 803 CD GLU A 53 40.330 33.742 74.722 1.00 0.00 C ATOM 804 OE1 GLU A 53 41.321 34.352 74.365 1.00 0.00 O ATOM 805 OE2 GLU A 53 40.124 33.372 75.984 1.00 0.00 O ATOM 0 H GLU A 53 37.261 33.728 71.330 1.00 0.00 H new ATOM 0 HA GLU A 53 39.253 31.612 70.784 1.00 0.00 H new ATOM 0 HB2 GLU A 53 39.956 31.476 73.097 1.00 0.00 H new ATOM 0 HB3 GLU A 53 40.560 32.885 72.248 1.00 0.00 H new ATOM 0 HG2 GLU A 53 38.690 34.234 73.411 1.00 0.00 H new ATOM 0 HG3 GLU A 53 38.407 32.818 74.405 1.00 0.00 H new ATOM 813 N SER A 54 36.684 30.877 70.780 1.00 0.00 N ATOM 814 CA SER A 54 35.533 29.971 70.843 1.00 0.00 C ATOM 815 C SER A 54 35.389 29.229 69.463 1.00 0.00 C ATOM 816 O SER A 54 36.054 29.607 68.498 1.00 0.00 O ATOM 817 CB SER A 54 34.194 30.687 71.210 1.00 0.00 C ATOM 818 OG SER A 54 34.064 31.068 72.578 1.00 0.00 O ATOM 0 H SER A 54 36.870 31.218 69.837 1.00 0.00 H new ATOM 0 HA SER A 54 35.725 29.261 71.647 1.00 0.00 H new ATOM 0 HB2 SER A 54 34.096 31.578 70.590 1.00 0.00 H new ATOM 0 HB3 SER A 54 33.365 30.027 70.953 1.00 0.00 H new ATOM 0 HG SER A 54 34.951 31.104 72.993 1.00 0.00 H new ATOM 824 N ASP A 55 34.541 28.125 69.387 1.00 0.00 N ATOM 825 CA ASP A 55 34.432 27.404 68.096 1.00 0.00 C ATOM 826 C ASP A 55 33.802 28.422 67.067 1.00 0.00 C ATOM 827 O ASP A 55 32.712 28.957 67.260 1.00 0.00 O ATOM 828 CB ASP A 55 33.655 26.068 68.163 1.00 0.00 C ATOM 829 CG ASP A 55 33.691 25.294 66.817 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.759 25.352 66.190 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.660 24.702 66.486 1.00 0.00 O ATOM 0 H ASP A 55 33.975 27.757 70.152 1.00 0.00 H new ATOM 0 HA ASP A 55 35.425 27.083 67.781 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.079 25.444 68.950 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.619 26.267 68.437 1.00 0.00 H new ATOM 836 N LYS A 56 34.571 28.724 65.938 1.00 0.00 N ATOM 837 CA LYS A 56 34.253 29.684 64.887 1.00 0.00 C ATOM 838 C LYS A 56 34.464 31.125 65.426 1.00 0.00 C ATOM 839 O LYS A 56 35.315 31.856 64.919 1.00 0.00 O ATOM 840 CB LYS A 56 32.918 29.555 64.116 1.00 0.00 C ATOM 841 CG LYS A 56 32.921 28.317 63.192 1.00 0.00 C ATOM 842 CD LYS A 56 32.652 26.990 63.920 1.00 0.00 C ATOM 843 CE LYS A 56 33.000 25.716 63.140 1.00 0.00 C ATOM 844 NZ LYS A 56 33.348 24.623 64.166 1.00 0.00 N ATOM 0 H LYS A 56 35.463 28.259 65.769 1.00 0.00 H new ATOM 0 HA LYS A 56 34.959 29.426 64.098 1.00 0.00 H new ATOM 0 HB2 LYS A 56 32.092 29.481 64.824 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.750 30.454 63.523 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.167 28.453 62.417 1.00 0.00 H new ATOM 0 HG3 LYS A 56 33.886 28.254 62.690 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.217 26.988 64.852 1.00 0.00 H new ATOM 0 HD3 LYS A 56 31.596 26.952 64.187 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.159 25.405 62.520 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.841 25.895 62.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.424 23.705 63.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.255 24.850 64.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.601 24.574 64.888 1.00 0.00 H new ATOM 858 N CYS A 57 33.617 31.529 66.433 1.00 0.00 N ATOM 859 CA CYS A 57 33.566 32.853 67.024 1.00 0.00 C ATOM 860 C CYS A 57 33.268 33.812 65.833 1.00 0.00 C ATOM 861 O CYS A 57 34.086 34.662 65.486 1.00 0.00 O ATOM 862 CB CYS A 57 34.735 33.303 67.898 1.00 0.00 C ATOM 863 SG CYS A 57 34.298 34.901 68.649 1.00 0.00 S ATOM 0 H CYS A 57 32.937 30.892 66.849 1.00 0.00 H new ATOM 0 HA CYS A 57 32.789 32.856 67.789 1.00 0.00 H new ATOM 0 HB2 CYS A 57 34.939 32.562 68.671 1.00 0.00 H new ATOM 0 HB3 CYS A 57 35.642 33.399 67.301 1.00 0.00 H new ATOM 868 N ASN A 58 32.031 33.657 65.226 1.00 0.00 N ATOM 869 CA ASN A 58 31.499 34.541 64.188 1.00 0.00 C ATOM 870 C ASN A 58 32.443 34.415 62.947 1.00 0.00 C ATOM 871 O ASN A 58 33.323 35.240 62.708 1.00 0.00 O ATOM 872 CB ASN A 58 31.268 35.977 64.672 1.00 0.00 C ATOM 873 CG ASN A 58 30.392 36.725 63.680 1.00 0.00 C ATOM 874 OD1 ASN A 58 29.183 36.586 63.628 1.00 0.00 O ATOM 875 ND2 ASN A 58 31.056 37.571 62.865 1.00 0.00 N ATOM 0 H ASN A 58 31.394 32.898 65.468 1.00 0.00 H new ATOM 0 HA ASN A 58 30.494 34.230 63.903 1.00 0.00 H new ATOM 0 HB2 ASN A 58 30.794 35.967 65.653 1.00 0.00 H new ATOM 0 HB3 ASN A 58 32.223 36.490 64.785 1.00 0.00 H new ATOM 0 HD21 ASN A 58 30.544 38.121 62.175 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.069 37.660 62.939 1.00 0.00 H new ATOM 882 N LEU A 59 32.207 33.309 62.144 1.00 0.00 N ATOM 883 CA LEU A 59 32.902 32.987 60.886 1.00 0.00 C ATOM 884 C LEU A 59 34.446 32.752 61.211 1.00 0.00 C ATOM 885 O LEU A 59 35.211 33.685 60.935 1.00 0.00 O ATOM 886 CB LEU A 59 32.728 34.061 59.785 1.00 0.00 C ATOM 887 CG LEU A 59 31.340 34.485 59.252 1.00 0.00 C ATOM 888 CD1 LEU A 59 31.486 35.563 58.163 1.00 0.00 C ATOM 889 CD2 LEU A 59 30.562 33.283 58.699 1.00 0.00 C ATOM 890 OXT LEU A 59 34.741 31.693 61.772 1.00 0.00 O ATOM 0 H LEU A 59 31.502 32.613 62.385 1.00 0.00 H new ATOM 0 HA LEU A 59 32.449 32.084 60.477 1.00 0.00 H new ATOM 0 HB2 LEU A 59 33.211 34.966 60.153 1.00 0.00 H new ATOM 0 HB3 LEU A 59 33.303 33.721 58.923 1.00 0.00 H new ATOM 0 HG LEU A 59 30.778 34.898 60.089 1.00 0.00 H new ATOM 0 HD11 LEU A 59 30.499 35.849 57.800 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.986 36.437 58.581 1.00 0.00 H new ATOM 0 HD13 LEU A 59 32.076 35.168 57.336 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.591 33.616 58.332 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.123 32.831 57.881 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.419 32.547 59.490 1.00 0.00 H new TER 902 LEU A 59