USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= 0 K(o=0,f=0.76) USER MOD Set 2.1: A 7 THR OG1 : rot 136:sc= 1.3 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.893 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.18 (180deg=1.11) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -61:sc= 0.0182 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.1) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= -0.566 K(o=-0.57,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 1 (180deg=0.996) USER MOD Single : A 40 GLN : amide:sc= -0.0846 X(o=-0.085,f=-0.12) USER MOD Single : A 41 GLN : amide:sc= 1.12 K(o=1.1,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.16 K(o=1.2,f=-7.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.396 USER MOD Single : A 60 ASN : amide:sc=-0.00373 X(o=-0.0037,f=-0.39) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 1.32 (180deg=1.18) USER MOD Single : A 65 SER OG : rot -140:sc= 0.357 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.778 52.155 19.577 1.00 0.00 N ATOM 2 CA MET A 1 33.063 52.549 20.965 1.00 0.00 C ATOM 3 C MET A 1 34.565 52.773 21.152 1.00 0.00 C ATOM 4 O MET A 1 35.354 52.206 20.399 1.00 0.00 O ATOM 5 CB MET A 1 32.529 51.534 21.973 1.00 0.00 C ATOM 6 CG MET A 1 33.235 50.182 21.945 1.00 0.00 C ATOM 7 SD MET A 1 32.691 49.063 23.260 1.00 0.00 S ATOM 8 CE MET A 1 33.883 47.722 23.022 1.00 0.00 C ATOM 0 H1 MET A 1 31.799 51.811 19.508 1.00 0.00 H new ATOM 0 H2 MET A 1 32.901 52.976 18.951 1.00 0.00 H new ATOM 0 H3 MET A 1 33.432 51.399 19.289 1.00 0.00 H new ATOM 0 HA MET A 1 32.541 53.486 21.157 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.617 51.955 22.975 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.467 51.379 21.785 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.060 49.708 20.979 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.310 50.339 22.033 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.697 46.936 23.753 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.777 47.315 22.016 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.894 48.107 23.153 1.00 0.00 H new ATOM 20 N GLN A 2 34.971 53.516 22.176 1.00 0.00 N ATOM 21 CA GLN A 2 36.362 53.689 22.545 1.00 0.00 C ATOM 22 C GLN A 2 36.788 52.780 23.698 1.00 0.00 C ATOM 23 O GLN A 2 36.051 52.621 24.668 1.00 0.00 O ATOM 24 CB GLN A 2 36.646 55.148 22.889 1.00 0.00 C ATOM 25 CG GLN A 2 36.558 56.069 21.675 1.00 0.00 C ATOM 26 CD GLN A 2 36.965 57.509 21.989 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.227 57.895 23.127 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.020 58.378 20.984 1.00 0.00 N ATOM 0 H GLN A 2 34.326 54.023 22.782 1.00 0.00 H new ATOM 0 HA GLN A 2 36.954 53.399 21.677 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.937 55.483 23.646 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.641 55.226 23.328 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.199 55.680 20.883 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.537 56.061 21.292 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.806 58.074 20.034 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.277 59.349 21.163 1.00 0.00 H new ATOM 37 N ILE A 3 38.005 52.245 23.626 1.00 0.00 N ATOM 38 CA ILE A 3 38.685 51.562 24.707 1.00 0.00 C ATOM 39 C ILE A 3 40.122 52.066 24.850 1.00 0.00 C ATOM 40 O ILE A 3 40.617 52.785 23.985 1.00 0.00 O ATOM 41 CB ILE A 3 38.603 50.041 24.597 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.636 49.355 23.707 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.200 49.547 24.260 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.766 49.871 22.277 1.00 0.00 C ATOM 0 H ILE A 3 38.562 52.281 22.772 1.00 0.00 H new ATOM 0 HA ILE A 3 38.156 51.809 25.628 1.00 0.00 H new ATOM 0 HB ILE A 3 38.865 49.733 25.609 1.00 0.00 H new ATOM 0 HG12 ILE A 3 40.610 49.442 24.189 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.395 48.293 23.664 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.203 48.459 24.195 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.506 49.862 25.040 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.886 49.967 23.304 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.532 49.300 21.752 1.00 0.00 H new ATOM 0 HD12 ILE A 3 38.812 49.758 21.761 1.00 0.00 H new ATOM 0 HD13 ILE A 3 40.046 50.924 22.294 1.00 0.00 H new ATOM 56 N PHE A 4 40.802 51.682 25.927 1.00 0.00 N ATOM 57 CA PHE A 4 42.157 52.112 26.206 1.00 0.00 C ATOM 58 C PHE A 4 43.163 50.960 26.160 1.00 0.00 C ATOM 59 O PHE A 4 42.894 49.863 26.644 1.00 0.00 O ATOM 60 CB PHE A 4 42.203 52.820 27.557 1.00 0.00 C ATOM 61 CG PHE A 4 41.237 53.968 27.727 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.339 55.103 26.914 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.229 53.898 28.696 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.436 56.162 27.069 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.339 54.965 28.866 1.00 0.00 C ATOM 66 CZ PHE A 4 39.437 56.096 28.046 1.00 0.00 C ATOM 0 H PHE A 4 40.418 51.056 26.635 1.00 0.00 H new ATOM 0 HA PHE A 4 42.451 52.807 25.420 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.007 52.086 28.338 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.214 53.193 27.717 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.116 55.162 26.166 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.138 53.017 29.315 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.511 57.032 26.433 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.577 54.916 29.630 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.743 56.915 28.168 1.00 0.00 H new ATOM 76 N VAL A 5 44.359 51.226 25.642 1.00 0.00 N ATOM 77 CA VAL A 5 45.513 50.353 25.693 1.00 0.00 C ATOM 78 C VAL A 5 46.674 51.103 26.347 1.00 0.00 C ATOM 79 O VAL A 5 46.962 52.234 25.959 1.00 0.00 O ATOM 80 CB VAL A 5 45.885 49.832 24.308 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.078 48.883 24.379 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.735 49.072 23.653 1.00 0.00 C ATOM 0 H VAL A 5 44.552 52.100 25.153 1.00 0.00 H new ATOM 0 HA VAL A 5 45.273 49.476 26.294 1.00 0.00 H new ATOM 0 HB VAL A 5 46.129 50.713 23.714 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.320 48.528 23.377 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.937 49.409 24.795 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.830 48.033 25.015 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.045 48.720 22.669 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.462 48.219 24.274 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.875 49.734 23.547 1.00 0.00 H new ATOM 92 N LYS A 6 47.327 50.516 27.346 1.00 0.00 N ATOM 93 CA LYS A 6 48.318 51.176 28.172 1.00 0.00 C ATOM 94 C LYS A 6 49.719 50.575 28.031 1.00 0.00 C ATOM 95 O LYS A 6 49.909 49.371 28.188 1.00 0.00 O ATOM 96 CB LYS A 6 47.810 51.221 29.610 1.00 0.00 C ATOM 97 CG LYS A 6 48.483 52.329 30.416 1.00 0.00 C ATOM 98 CD LYS A 6 47.720 52.581 31.713 1.00 0.00 C ATOM 99 CE LYS A 6 48.352 53.735 32.486 1.00 0.00 C ATOM 100 NZ LYS A 6 47.569 54.084 33.681 1.00 0.00 N ATOM 0 H LYS A 6 47.173 49.542 27.606 1.00 0.00 H new ATOM 0 HA LYS A 6 48.445 52.200 27.821 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.731 51.376 29.609 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.993 50.260 30.090 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.513 52.050 30.640 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.522 53.245 29.826 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.678 52.811 31.491 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.723 51.679 32.326 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.365 53.463 32.782 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.433 54.607 31.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.030 54.872 34.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.610 54.368 33.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.513 53.260 34.313 1.00 0.00 H new ATOM 114 N THR A 7 50.692 51.426 27.719 1.00 0.00 N ATOM 115 CA THR A 7 52.050 51.053 27.381 1.00 0.00 C ATOM 116 C THR A 7 52.886 50.616 28.586 1.00 0.00 C ATOM 117 O THR A 7 52.541 50.876 29.736 1.00 0.00 O ATOM 118 CB THR A 7 52.786 52.198 26.691 1.00 0.00 C ATOM 119 OG1 THR A 7 52.951 53.260 27.604 1.00 0.00 O ATOM 120 CG2 THR A 7 52.072 52.745 25.458 1.00 0.00 C ATOM 0 H THR A 7 50.543 52.435 27.696 1.00 0.00 H new ATOM 0 HA THR A 7 51.943 50.201 26.710 1.00 0.00 H new ATOM 0 HB THR A 7 53.738 51.785 26.358 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.865 53.607 27.540 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.660 53.555 25.027 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.956 51.949 24.722 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.090 53.122 25.743 1.00 0.00 H new ATOM 128 N LEU A 8 54.052 50.038 28.315 1.00 0.00 N ATOM 129 CA LEU A 8 55.095 49.760 29.283 1.00 0.00 C ATOM 130 C LEU A 8 55.657 51.003 29.976 1.00 0.00 C ATOM 131 O LEU A 8 56.296 50.876 31.018 1.00 0.00 O ATOM 132 CB LEU A 8 56.222 49.019 28.568 1.00 0.00 C ATOM 133 CG LEU A 8 55.858 47.605 28.124 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.897 47.098 27.129 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.790 46.640 29.304 1.00 0.00 C ATOM 0 H LEU A 8 54.302 49.740 27.372 1.00 0.00 H new ATOM 0 HA LEU A 8 54.647 49.159 30.075 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.524 49.596 27.694 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.086 48.969 29.230 1.00 0.00 H new ATOM 0 HG LEU A 8 54.873 47.648 27.660 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.636 46.088 26.813 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.920 47.756 26.260 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.879 47.087 27.602 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.528 45.645 28.945 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.760 46.603 29.800 1.00 0.00 H new ATOM 0 HD23 LEU A 8 55.033 46.982 30.010 1.00 0.00 H new ATOM 147 N THR A 9 55.431 52.202 29.447 1.00 0.00 N ATOM 148 CA THR A 9 55.746 53.475 30.064 1.00 0.00 C ATOM 149 C THR A 9 54.570 54.073 30.838 1.00 0.00 C ATOM 150 O THR A 9 54.719 55.094 31.507 1.00 0.00 O ATOM 151 CB THR A 9 56.254 54.480 29.034 1.00 0.00 C ATOM 152 OG1 THR A 9 55.296 54.656 28.015 1.00 0.00 O ATOM 153 CG2 THR A 9 57.541 54.027 28.353 1.00 0.00 C ATOM 0 H THR A 9 55.001 52.311 28.529 1.00 0.00 H new ATOM 0 HA THR A 9 56.537 53.268 30.784 1.00 0.00 H new ATOM 0 HB THR A 9 56.441 55.403 29.583 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.630 55.304 27.360 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.855 54.781 27.631 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.322 53.894 29.102 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.367 53.082 27.839 1.00 0.00 H new ATOM 161 N GLY A 10 53.396 53.451 30.785 1.00 0.00 N ATOM 162 CA GLY A 10 52.185 53.906 31.437 1.00 0.00 C ATOM 163 C GLY A 10 51.384 54.958 30.667 1.00 0.00 C ATOM 164 O GLY A 10 50.456 55.528 31.235 1.00 0.00 O ATOM 0 H GLY A 10 53.263 52.583 30.265 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.543 53.044 31.617 1.00 0.00 H new ATOM 0 HA3 GLY A 10 52.449 54.316 32.412 1.00 0.00 H new ATOM 168 N LYS A 11 51.708 55.235 29.407 1.00 0.00 N ATOM 169 CA LYS A 11 50.944 56.136 28.568 1.00 0.00 C ATOM 170 C LYS A 11 49.681 55.429 28.073 1.00 0.00 C ATOM 171 O LYS A 11 49.734 54.293 27.604 1.00 0.00 O ATOM 172 CB LYS A 11 51.816 56.646 27.424 1.00 0.00 C ATOM 173 CG LYS A 11 51.150 57.660 26.499 1.00 0.00 C ATOM 174 CD LYS A 11 50.692 58.964 27.146 1.00 0.00 C ATOM 175 CE LYS A 11 51.849 59.761 27.741 1.00 0.00 C ATOM 176 NZ LYS A 11 51.388 61.028 28.328 1.00 0.00 N ATOM 0 H LYS A 11 52.520 54.832 28.940 1.00 0.00 H new ATOM 0 HA LYS A 11 50.627 57.007 29.142 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.713 57.099 27.847 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.140 55.793 26.828 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.848 57.902 25.697 1.00 0.00 H new ATOM 0 HG3 LYS A 11 50.285 57.185 26.036 1.00 0.00 H new ATOM 0 HD2 LYS A 11 50.180 59.574 26.402 1.00 0.00 H new ATOM 0 HD3 LYS A 11 49.968 58.742 27.930 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.347 59.165 28.506 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.587 59.966 26.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.200 61.544 28.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 50.935 61.607 27.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 50.702 60.831 29.085 1.00 0.00 H new ATOM 190 N THR A 12 48.540 56.106 28.166 1.00 0.00 N ATOM 191 CA THR A 12 47.242 55.583 27.791 1.00 0.00 C ATOM 192 C THR A 12 46.899 55.989 26.356 1.00 0.00 C ATOM 193 O THR A 12 46.871 57.174 26.031 1.00 0.00 O ATOM 194 CB THR A 12 46.161 56.044 28.763 1.00 0.00 C ATOM 195 OG1 THR A 12 46.583 55.839 30.094 1.00 0.00 O ATOM 196 CG2 THR A 12 44.864 55.257 28.600 1.00 0.00 C ATOM 0 H THR A 12 48.499 57.063 28.516 1.00 0.00 H new ATOM 0 HA THR A 12 47.285 54.495 27.840 1.00 0.00 H new ATOM 0 HB THR A 12 45.988 57.098 28.545 1.00 0.00 H new ATOM 0 HG1 THR A 12 45.882 56.140 30.709 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.125 55.622 29.314 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.485 55.387 27.586 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.055 54.200 28.783 1.00 0.00 H new ATOM 204 N ILE A 13 46.642 55.007 25.498 1.00 0.00 N ATOM 205 CA ILE A 13 46.328 55.168 24.093 1.00 0.00 C ATOM 206 C ILE A 13 44.855 54.824 23.869 1.00 0.00 C ATOM 207 O ILE A 13 44.411 53.733 24.224 1.00 0.00 O ATOM 208 CB ILE A 13 47.271 54.335 23.229 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.728 54.709 23.484 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.920 54.497 21.753 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.763 53.875 22.733 1.00 0.00 C ATOM 0 H ILE A 13 46.649 54.028 25.785 1.00 0.00 H new ATOM 0 HA ILE A 13 46.479 56.204 23.791 1.00 0.00 H new ATOM 0 HB ILE A 13 47.146 53.287 23.502 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.868 55.756 23.217 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.925 54.624 24.553 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.601 53.897 21.149 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.896 54.164 21.584 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.012 55.546 21.470 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.764 54.224 22.986 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.661 52.827 23.016 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.603 53.978 21.660 1.00 0.00 H new ATOM 223 N THR A 14 44.095 55.733 23.264 1.00 0.00 N ATOM 224 CA THR A 14 42.738 55.473 22.830 1.00 0.00 C ATOM 225 C THR A 14 42.739 54.747 21.483 1.00 0.00 C ATOM 226 O THR A 14 43.467 55.127 20.568 1.00 0.00 O ATOM 227 CB THR A 14 41.926 56.762 22.740 1.00 0.00 C ATOM 228 OG1 THR A 14 41.829 57.369 24.009 1.00 0.00 O ATOM 229 CG2 THR A 14 40.493 56.543 22.265 1.00 0.00 C ATOM 0 H THR A 14 44.414 56.680 23.062 1.00 0.00 H new ATOM 0 HA THR A 14 42.266 54.833 23.575 1.00 0.00 H new ATOM 0 HB THR A 14 42.456 57.383 22.018 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.371 56.763 24.627 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.973 57.500 22.224 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.504 56.093 21.272 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.977 55.879 22.959 1.00 0.00 H new ATOM 237 N LEU A 15 41.876 53.745 21.339 1.00 0.00 N ATOM 238 CA LEU A 15 41.435 53.229 20.060 1.00 0.00 C ATOM 239 C LEU A 15 39.908 53.175 19.984 1.00 0.00 C ATOM 240 O LEU A 15 39.232 52.923 20.980 1.00 0.00 O ATOM 241 CB LEU A 15 42.025 51.849 19.784 1.00 0.00 C ATOM 242 CG LEU A 15 43.497 51.802 19.384 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.892 50.351 19.122 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.777 52.586 18.105 1.00 0.00 C ATOM 0 H LEU A 15 41.457 53.261 22.133 1.00 0.00 H new ATOM 0 HA LEU A 15 41.796 53.914 19.293 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.895 51.238 20.677 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.441 51.382 18.991 1.00 0.00 H new ATOM 0 HG LEU A 15 44.067 52.245 20.200 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.943 50.306 18.835 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.737 49.763 20.027 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.279 49.947 18.317 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.838 52.521 17.863 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.192 52.167 17.286 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.501 53.630 18.251 1.00 0.00 H new ATOM 256 N GLU A 16 39.373 53.365 18.782 1.00 0.00 N ATOM 257 CA GLU A 16 37.999 53.049 18.446 1.00 0.00 C ATOM 258 C GLU A 16 37.895 51.655 17.825 1.00 0.00 C ATOM 259 O GLU A 16 38.650 51.315 16.918 1.00 0.00 O ATOM 260 CB GLU A 16 37.410 54.127 17.541 1.00 0.00 C ATOM 261 CG GLU A 16 35.962 53.812 17.178 1.00 0.00 C ATOM 262 CD GLU A 16 35.326 54.951 16.379 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.720 55.853 16.997 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.397 54.925 15.131 1.00 0.00 O ATOM 0 H GLU A 16 39.900 53.753 17.999 1.00 0.00 H new ATOM 0 HA GLU A 16 37.409 53.033 19.362 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.460 55.094 18.042 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.006 54.208 16.632 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.923 52.891 16.596 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.387 53.638 18.087 1.00 0.00 H new ATOM 271 N VAL A 17 36.932 50.875 18.310 1.00 0.00 N ATOM 272 CA VAL A 17 36.614 49.521 17.902 1.00 0.00 C ATOM 273 C VAL A 17 35.103 49.286 17.956 1.00 0.00 C ATOM 274 O VAL A 17 34.370 50.013 18.624 1.00 0.00 O ATOM 275 CB VAL A 17 37.309 48.491 18.788 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.831 48.600 18.745 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.844 48.564 20.239 1.00 0.00 C ATOM 0 H VAL A 17 36.313 51.202 19.051 1.00 0.00 H new ATOM 0 HA VAL A 17 36.970 49.401 16.879 1.00 0.00 H new ATOM 0 HB VAL A 17 37.021 47.526 18.372 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.269 47.842 19.395 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.178 48.446 17.723 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.135 49.590 19.086 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.368 47.811 20.827 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.060 49.554 20.641 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.771 48.379 20.287 1.00 0.00 H new ATOM 287 N GLU A 18 34.628 48.218 17.323 1.00 0.00 N ATOM 288 CA GLU A 18 33.370 47.592 17.675 1.00 0.00 C ATOM 289 C GLU A 18 33.583 46.471 18.695 1.00 0.00 C ATOM 290 O GLU A 18 34.643 45.848 18.694 1.00 0.00 O ATOM 291 CB GLU A 18 32.668 47.063 16.428 1.00 0.00 C ATOM 292 CG GLU A 18 32.383 48.111 15.356 1.00 0.00 C ATOM 293 CD GLU A 18 31.653 49.353 15.873 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.706 49.244 16.682 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.020 50.476 15.467 1.00 0.00 O ATOM 0 H GLU A 18 35.112 47.764 16.548 1.00 0.00 H new ATOM 0 HA GLU A 18 32.732 48.347 18.134 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.281 46.275 15.991 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.725 46.605 16.727 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.326 48.419 14.905 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.786 47.654 14.567 1.00 0.00 H new ATOM 302 N PRO A 19 32.607 46.126 19.529 1.00 0.00 N ATOM 303 CA PRO A 19 32.689 44.978 20.409 1.00 0.00 C ATOM 304 C PRO A 19 32.953 43.658 19.681 1.00 0.00 C ATOM 305 O PRO A 19 33.524 42.730 20.249 1.00 0.00 O ATOM 306 CB PRO A 19 31.358 44.926 21.155 1.00 0.00 C ATOM 307 CG PRO A 19 30.802 46.343 21.056 1.00 0.00 C ATOM 308 CD PRO A 19 31.358 46.835 19.722 1.00 0.00 C ATOM 0 HA PRO A 19 33.541 45.095 21.079 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.679 44.202 20.704 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.498 44.627 22.194 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.712 46.351 21.067 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.134 46.966 21.886 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.662 46.629 18.909 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.519 47.913 19.739 1.00 0.00 H new ATOM 316 N SER A 20 32.550 43.581 18.415 1.00 0.00 N ATOM 317 CA SER A 20 32.754 42.459 17.520 1.00 0.00 C ATOM 318 C SER A 20 34.166 42.355 16.940 1.00 0.00 C ATOM 319 O SER A 20 34.441 41.382 16.242 1.00 0.00 O ATOM 320 CB SER A 20 31.747 42.536 16.376 1.00 0.00 C ATOM 321 OG SER A 20 30.441 42.748 16.865 1.00 0.00 O ATOM 0 H SER A 20 32.045 44.346 17.967 1.00 0.00 H new ATOM 0 HA SER A 20 32.609 41.564 18.125 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.021 43.345 15.699 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.777 41.613 15.798 1.00 0.00 H new ATOM 0 HG SER A 20 29.814 42.795 16.113 1.00 0.00 H new ATOM 327 N ASP A 21 35.059 43.314 17.170 1.00 0.00 N ATOM 328 CA ASP A 21 36.413 43.266 16.657 1.00 0.00 C ATOM 329 C ASP A 21 37.296 42.269 17.410 1.00 0.00 C ATOM 330 O ASP A 21 37.120 42.011 18.598 1.00 0.00 O ATOM 331 CB ASP A 21 37.043 44.654 16.598 1.00 0.00 C ATOM 332 CG ASP A 21 36.494 45.529 15.470 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.392 46.765 15.628 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.227 44.999 14.369 1.00 0.00 O ATOM 0 H ASP A 21 34.856 44.148 17.721 1.00 0.00 H new ATOM 0 HA ASP A 21 36.343 42.897 15.634 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.880 45.159 17.550 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.121 44.550 16.474 1.00 0.00 H new ATOM 339 N THR A 22 38.251 41.685 16.690 1.00 0.00 N ATOM 340 CA THR A 22 39.150 40.650 17.157 1.00 0.00 C ATOM 341 C THR A 22 40.452 41.196 17.748 1.00 0.00 C ATOM 342 O THR A 22 40.928 42.261 17.361 1.00 0.00 O ATOM 343 CB THR A 22 39.469 39.625 16.074 1.00 0.00 C ATOM 344 OG1 THR A 22 40.044 40.253 14.949 1.00 0.00 O ATOM 345 CG2 THR A 22 38.251 38.839 15.598 1.00 0.00 C ATOM 0 H THR A 22 38.422 41.939 15.717 1.00 0.00 H new ATOM 0 HA THR A 22 38.605 40.154 17.960 1.00 0.00 H new ATOM 0 HB THR A 22 40.165 38.926 16.537 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.243 39.580 14.265 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.554 38.129 14.828 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.815 38.299 16.438 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.512 39.527 15.187 1.00 0.00 H new ATOM 353 N ILE A 23 41.092 40.439 18.634 1.00 0.00 N ATOM 354 CA ILE A 23 42.338 40.839 19.257 1.00 0.00 C ATOM 355 C ILE A 23 43.480 40.926 18.243 1.00 0.00 C ATOM 356 O ILE A 23 44.320 41.819 18.334 1.00 0.00 O ATOM 357 CB ILE A 23 42.668 39.917 20.428 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.525 39.697 21.415 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.898 40.414 21.180 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.893 40.952 22.011 1.00 0.00 C ATOM 0 H ILE A 23 40.754 39.526 18.938 1.00 0.00 H new ATOM 0 HA ILE A 23 42.212 41.846 19.655 1.00 0.00 H new ATOM 0 HB ILE A 23 42.863 38.948 19.968 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.744 39.127 20.912 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.894 39.079 22.233 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.114 39.741 22.010 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.752 40.441 20.503 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.709 41.416 21.565 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.094 40.667 22.696 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.650 41.519 22.553 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.482 41.568 21.211 1.00 0.00 H new ATOM 372 N GLU A 24 43.478 40.083 17.215 1.00 0.00 N ATOM 373 CA GLU A 24 44.381 40.172 16.086 1.00 0.00 C ATOM 374 C GLU A 24 44.260 41.513 15.359 1.00 0.00 C ATOM 375 O GLU A 24 45.268 42.150 15.058 1.00 0.00 O ATOM 376 CB GLU A 24 44.078 38.997 15.161 1.00 0.00 C ATOM 377 CG GLU A 24 45.154 38.678 14.127 1.00 0.00 C ATOM 378 CD GLU A 24 44.815 37.445 13.287 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.014 36.584 13.708 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.344 37.339 12.158 1.00 0.00 O ATOM 0 H GLU A 24 42.828 39.300 17.148 1.00 0.00 H new ATOM 0 HA GLU A 24 45.413 40.121 16.432 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.912 38.110 15.772 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.145 39.202 14.637 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.286 39.537 13.469 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.105 38.517 14.635 1.00 0.00 H new ATOM 387 N ASN A 25 43.037 41.994 15.150 1.00 0.00 N ATOM 388 CA ASN A 25 42.775 43.312 14.606 1.00 0.00 C ATOM 389 C ASN A 25 43.146 44.454 15.554 1.00 0.00 C ATOM 390 O ASN A 25 43.601 45.489 15.071 1.00 0.00 O ATOM 391 CB ASN A 25 41.320 43.391 14.155 1.00 0.00 C ATOM 392 CG ASN A 25 41.170 42.909 12.710 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.813 41.766 12.432 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.465 43.774 11.743 1.00 0.00 N ATOM 0 H ASN A 25 42.190 41.465 15.359 1.00 0.00 H new ATOM 0 HA ASN A 25 43.429 43.449 13.745 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.698 42.783 14.812 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.964 44.418 14.239 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.395 43.490 10.766 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.761 44.721 11.979 1.00 0.00 H new ATOM 401 N VAL A 26 43.023 44.293 16.868 1.00 0.00 N ATOM 402 CA VAL A 26 43.492 45.283 17.816 1.00 0.00 C ATOM 403 C VAL A 26 45.007 45.469 17.707 1.00 0.00 C ATOM 404 O VAL A 26 45.456 46.604 17.572 1.00 0.00 O ATOM 405 CB VAL A 26 43.066 44.967 19.247 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.688 45.918 20.265 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.551 45.068 19.401 1.00 0.00 C ATOM 0 H VAL A 26 42.596 43.473 17.299 1.00 0.00 H new ATOM 0 HA VAL A 26 43.016 46.228 17.555 1.00 0.00 H new ATOM 0 HB VAL A 26 43.412 43.952 19.439 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.352 45.649 21.267 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.774 45.845 20.215 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.382 46.940 20.042 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.274 44.838 20.430 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.227 46.079 19.155 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.069 44.359 18.728 1.00 0.00 H new ATOM 417 N LYS A 27 45.791 44.396 17.659 1.00 0.00 N ATOM 418 CA LYS A 27 47.223 44.482 17.452 1.00 0.00 C ATOM 419 C LYS A 27 47.588 45.183 16.143 1.00 0.00 C ATOM 420 O LYS A 27 48.479 46.031 16.121 1.00 0.00 O ATOM 421 CB LYS A 27 47.849 43.090 17.482 1.00 0.00 C ATOM 422 CG LYS A 27 47.846 42.419 18.854 1.00 0.00 C ATOM 423 CD LYS A 27 48.393 41.000 18.733 1.00 0.00 C ATOM 424 CE LYS A 27 48.681 40.367 20.092 1.00 0.00 C ATOM 425 NZ LYS A 27 49.024 38.946 19.927 1.00 0.00 N ATOM 0 H LYS A 27 45.445 43.442 17.763 1.00 0.00 H new ATOM 0 HA LYS A 27 47.622 45.085 18.268 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.315 42.451 16.779 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.878 43.161 17.130 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.453 42.995 19.553 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.833 42.396 19.256 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.676 40.382 18.193 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.309 41.016 18.142 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.502 40.893 20.580 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.810 40.466 20.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.349 38.559 20.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.185 38.421 19.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.781 38.851 19.220 1.00 0.00 H new ATOM 439 N ALA A 28 46.873 44.875 15.065 1.00 0.00 N ATOM 440 CA ALA A 28 47.047 45.508 13.773 1.00 0.00 C ATOM 441 C ALA A 28 46.717 47.002 13.788 1.00 0.00 C ATOM 442 O ALA A 28 47.396 47.789 13.133 1.00 0.00 O ATOM 443 CB ALA A 28 46.198 44.751 12.756 1.00 0.00 C ATOM 0 H ALA A 28 46.143 44.163 15.071 1.00 0.00 H new ATOM 0 HA ALA A 28 48.100 45.457 13.496 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.312 45.209 11.774 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.524 43.712 12.712 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.151 44.790 13.055 1.00 0.00 H new ATOM 449 N LYS A 29 45.741 47.432 14.582 1.00 0.00 N ATOM 450 CA LYS A 29 45.380 48.828 14.724 1.00 0.00 C ATOM 451 C LYS A 29 46.332 49.596 15.643 1.00 0.00 C ATOM 452 O LYS A 29 46.593 50.769 15.383 1.00 0.00 O ATOM 453 CB LYS A 29 43.910 48.948 15.114 1.00 0.00 C ATOM 454 CG LYS A 29 43.374 50.347 14.825 1.00 0.00 C ATOM 455 CD LYS A 29 41.853 50.433 14.923 1.00 0.00 C ATOM 456 CE LYS A 29 41.419 51.857 14.592 1.00 0.00 C ATOM 457 NZ LYS A 29 39.956 52.006 14.526 1.00 0.00 N ATOM 0 H LYS A 29 45.173 46.805 15.152 1.00 0.00 H new ATOM 0 HA LYS A 29 45.498 49.316 13.757 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.324 48.211 14.565 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.793 48.723 16.174 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.819 51.053 15.527 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.686 50.651 13.826 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.390 49.727 14.233 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.523 50.161 15.926 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.815 52.537 15.346 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.853 52.152 13.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.714 53.011 14.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.589 51.471 13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.530 51.641 15.402 1.00 0.00 H new ATOM 471 N ILE A 30 46.931 48.943 16.634 1.00 0.00 N ATOM 472 CA ILE A 30 48.048 49.475 17.388 1.00 0.00 C ATOM 473 C ILE A 30 49.244 49.744 16.471 1.00 0.00 C ATOM 474 O ILE A 30 49.814 50.831 16.532 1.00 0.00 O ATOM 475 CB ILE A 30 48.399 48.567 18.564 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.343 48.601 19.666 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.775 48.853 19.158 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.256 49.888 20.482 1.00 0.00 C ATOM 0 H ILE A 30 46.644 48.012 16.937 1.00 0.00 H new ATOM 0 HA ILE A 30 47.755 50.435 17.814 1.00 0.00 H new ATOM 0 HB ILE A 30 48.424 47.564 18.139 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.369 48.418 19.212 1.00 0.00 H new ATOM 0 HG13 ILE A 30 47.536 47.775 20.350 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.961 48.173 19.989 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.538 48.709 18.393 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.810 49.882 19.516 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.471 49.791 21.232 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.210 50.070 20.977 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.025 50.723 19.821 1.00 0.00 H new ATOM 490 N GLN A 31 49.592 48.835 15.564 1.00 0.00 N ATOM 491 CA GLN A 31 50.645 49.049 14.593 1.00 0.00 C ATOM 492 C GLN A 31 50.417 50.288 13.725 1.00 0.00 C ATOM 493 O GLN A 31 51.369 50.994 13.402 1.00 0.00 O ATOM 494 CB GLN A 31 50.794 47.793 13.739 1.00 0.00 C ATOM 495 CG GLN A 31 52.039 47.781 12.855 1.00 0.00 C ATOM 496 CD GLN A 31 52.145 46.506 12.017 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.185 45.766 11.816 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.333 46.156 11.530 1.00 0.00 N ATOM 0 H GLN A 31 49.143 47.923 15.487 1.00 0.00 H new ATOM 0 HA GLN A 31 51.571 49.240 15.136 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.819 46.922 14.394 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.912 47.690 13.107 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.020 48.647 12.193 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.927 47.877 13.480 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.144 46.755 11.685 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.432 45.289 11.002 1.00 0.00 H new ATOM 507 N ASP A 32 49.167 50.623 13.415 1.00 0.00 N ATOM 508 CA ASP A 32 48.801 51.793 12.642 1.00 0.00 C ATOM 509 C ASP A 32 49.004 53.130 13.357 1.00 0.00 C ATOM 510 O ASP A 32 49.038 54.154 12.678 1.00 0.00 O ATOM 511 CB ASP A 32 47.390 51.578 12.105 1.00 0.00 C ATOM 512 CG ASP A 32 46.795 52.750 11.320 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.141 52.938 10.134 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.936 53.468 11.877 1.00 0.00 O ATOM 0 H ASP A 32 48.362 50.068 13.706 1.00 0.00 H new ATOM 0 HA ASP A 32 49.496 51.889 11.808 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.396 50.698 11.461 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.731 51.354 12.944 1.00 0.00 H new ATOM 519 N LYS A 33 49.196 53.170 14.673 1.00 0.00 N ATOM 520 CA LYS A 33 49.518 54.381 15.400 1.00 0.00 C ATOM 521 C LYS A 33 50.767 54.355 16.283 1.00 0.00 C ATOM 522 O LYS A 33 51.201 55.417 16.724 1.00 0.00 O ATOM 523 CB LYS A 33 48.293 54.919 16.136 1.00 0.00 C ATOM 524 CG LYS A 33 47.704 54.006 17.208 1.00 0.00 C ATOM 525 CD LYS A 33 46.798 54.757 18.179 1.00 0.00 C ATOM 526 CE LYS A 33 45.695 55.571 17.506 1.00 0.00 C ATOM 527 NZ LYS A 33 44.938 56.387 18.467 1.00 0.00 N ATOM 0 H LYS A 33 49.130 52.344 15.268 1.00 0.00 H new ATOM 0 HA LYS A 33 49.810 55.083 14.619 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.561 55.868 16.601 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.517 55.132 15.401 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.137 53.208 16.730 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.514 53.533 17.763 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.340 54.039 18.860 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.409 55.426 18.785 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.136 56.220 16.749 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.013 54.896 16.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.235 56.960 17.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.453 55.765 19.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.590 57.015 18.979 1.00 0.00 H new ATOM 541 N GLU A 34 51.363 53.193 16.536 1.00 0.00 N ATOM 542 CA GLU A 34 52.589 53.042 17.293 1.00 0.00 C ATOM 543 C GLU A 34 53.693 52.279 16.556 1.00 0.00 C ATOM 544 O GLU A 34 54.807 52.185 17.067 1.00 0.00 O ATOM 545 CB GLU A 34 52.286 52.363 18.625 1.00 0.00 C ATOM 546 CG GLU A 34 51.599 53.265 19.646 1.00 0.00 C ATOM 547 CD GLU A 34 52.486 54.418 20.122 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.010 55.572 20.167 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.666 54.183 20.462 1.00 0.00 O ATOM 0 H GLU A 34 50.988 52.304 16.206 1.00 0.00 H new ATOM 0 HA GLU A 34 52.977 54.048 17.450 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.654 51.494 18.441 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.219 51.994 19.052 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.688 53.672 19.207 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.298 52.667 20.506 1.00 0.00 H new ATOM 556 N GLY A 35 53.423 51.701 15.389 1.00 0.00 N ATOM 557 CA GLY A 35 54.414 51.041 14.564 1.00 0.00 C ATOM 558 C GLY A 35 54.928 49.688 15.059 1.00 0.00 C ATOM 559 O GLY A 35 55.721 49.062 14.358 1.00 0.00 O ATOM 0 H GLY A 35 52.486 51.681 14.987 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.990 50.901 13.569 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.267 51.710 14.456 1.00 0.00 H new ATOM 563 N ILE A 36 54.509 49.215 16.230 1.00 0.00 N ATOM 564 CA ILE A 36 54.977 47.981 16.826 1.00 0.00 C ATOM 565 C ILE A 36 54.424 46.793 16.036 1.00 0.00 C ATOM 566 O ILE A 36 53.205 46.676 15.938 1.00 0.00 O ATOM 567 CB ILE A 36 54.557 47.899 18.290 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.036 49.085 19.122 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.074 46.612 18.925 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.216 49.313 20.388 1.00 0.00 C ATOM 0 H ILE A 36 53.815 49.698 16.801 1.00 0.00 H new ATOM 0 HA ILE A 36 56.066 47.956 16.790 1.00 0.00 H new ATOM 0 HB ILE A 36 53.467 47.914 18.288 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.079 48.927 19.398 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.001 49.986 18.509 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.764 46.572 19.969 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.665 45.754 18.392 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.162 46.590 18.868 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.613 50.172 20.929 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.177 49.503 20.119 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.271 48.428 21.022 1.00 0.00 H new ATOM 582 N PRO A 37 55.245 45.892 15.503 1.00 0.00 N ATOM 583 CA PRO A 37 54.759 44.752 14.753 1.00 0.00 C ATOM 584 C PRO A 37 53.980 43.786 15.647 1.00 0.00 C ATOM 585 O PRO A 37 54.483 43.418 16.706 1.00 0.00 O ATOM 586 CB PRO A 37 55.991 44.095 14.134 1.00 0.00 C ATOM 587 CG PRO A 37 57.118 44.494 15.082 1.00 0.00 C ATOM 588 CD PRO A 37 56.693 45.879 15.561 1.00 0.00 C ATOM 0 HA PRO A 37 54.056 45.057 13.978 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.881 43.012 14.073 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.172 44.454 13.121 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.215 43.793 15.911 1.00 0.00 H new ATOM 0 HG3 PRO A 37 58.082 44.521 14.574 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.045 46.067 16.575 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.116 46.658 14.927 1.00 0.00 H new ATOM 596 N PRO A 38 52.783 43.347 15.265 1.00 0.00 N ATOM 597 CA PRO A 38 51.943 42.461 16.046 1.00 0.00 C ATOM 598 C PRO A 38 52.614 41.205 16.604 1.00 0.00 C ATOM 599 O PRO A 38 52.268 40.811 17.716 1.00 0.00 O ATOM 600 CB PRO A 38 50.783 42.091 15.127 1.00 0.00 C ATOM 601 CG PRO A 38 50.565 43.411 14.392 1.00 0.00 C ATOM 602 CD PRO A 38 52.000 43.879 14.168 1.00 0.00 C ATOM 0 HA PRO A 38 51.642 42.988 16.951 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.038 41.277 14.448 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.900 41.777 15.683 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.028 43.273 13.454 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.991 44.121 14.987 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.380 43.521 13.211 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.054 44.967 14.145 1.00 0.00 H new ATOM 610 N ASP A 39 53.595 40.616 15.926 1.00 0.00 N ATOM 611 CA ASP A 39 54.306 39.463 16.440 1.00 0.00 C ATOM 612 C ASP A 39 55.092 39.742 17.722 1.00 0.00 C ATOM 613 O ASP A 39 55.296 38.814 18.503 1.00 0.00 O ATOM 614 CB ASP A 39 55.212 38.873 15.363 1.00 0.00 C ATOM 615 CG ASP A 39 54.503 37.829 14.498 1.00 0.00 C ATOM 616 OD1 ASP A 39 53.264 37.879 14.339 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.181 36.904 13.998 1.00 0.00 O ATOM 0 H ASP A 39 53.914 40.928 15.009 1.00 0.00 H new ATOM 0 HA ASP A 39 53.545 38.733 16.714 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.581 39.676 14.725 1.00 0.00 H new ATOM 0 HB3 ASP A 39 56.081 38.416 15.836 1.00 0.00 H new ATOM 622 N GLN A 40 55.477 40.988 17.982 1.00 0.00 N ATOM 623 CA GLN A 40 56.120 41.416 19.208 1.00 0.00 C ATOM 624 C GLN A 40 55.139 41.856 20.296 1.00 0.00 C ATOM 625 O GLN A 40 55.553 41.999 21.445 1.00 0.00 O ATOM 626 CB GLN A 40 57.104 42.544 18.908 1.00 0.00 C ATOM 627 CG GLN A 40 58.248 42.149 17.979 1.00 0.00 C ATOM 628 CD GLN A 40 59.056 40.955 18.492 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.655 40.982 19.564 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.106 39.857 17.744 1.00 0.00 N ATOM 0 H GLN A 40 55.342 41.750 17.318 1.00 0.00 H new ATOM 0 HA GLN A 40 56.644 40.546 19.602 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.560 43.376 18.461 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.523 42.905 19.848 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.843 41.910 16.996 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.914 43.002 17.850 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.612 39.825 16.852 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.638 39.047 18.062 1.00 0.00 H new ATOM 639 N GLN A 41 53.868 42.077 19.974 1.00 0.00 N ATOM 640 CA GLN A 41 52.870 42.562 20.906 1.00 0.00 C ATOM 641 C GLN A 41 52.261 41.422 21.723 1.00 0.00 C ATOM 642 O GLN A 41 51.824 40.417 21.166 1.00 0.00 O ATOM 643 CB GLN A 41 51.751 43.303 20.179 1.00 0.00 C ATOM 644 CG GLN A 41 52.154 44.543 19.386 1.00 0.00 C ATOM 645 CD GLN A 41 50.933 45.220 18.761 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.849 45.264 19.339 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.020 45.760 17.549 1.00 0.00 N ATOM 0 H GLN A 41 53.501 41.919 19.036 1.00 0.00 H new ATOM 0 HA GLN A 41 53.381 43.248 21.581 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.268 42.604 19.496 1.00 0.00 H new ATOM 0 HB3 GLN A 41 51.003 43.598 20.915 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.667 45.246 20.042 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.859 44.264 18.603 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.906 45.739 17.044 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.201 46.195 17.124 1.00 0.00 H new ATOM 656 N ARG A 42 52.123 41.617 23.032 1.00 0.00 N ATOM 657 CA ARG A 42 51.306 40.819 23.923 1.00 0.00 C ATOM 658 C ARG A 42 50.228 41.698 24.561 1.00 0.00 C ATOM 659 O ARG A 42 50.553 42.776 25.056 1.00 0.00 O ATOM 660 CB ARG A 42 52.178 40.158 24.986 1.00 0.00 C ATOM 661 CG ARG A 42 53.113 39.099 24.411 1.00 0.00 C ATOM 662 CD ARG A 42 54.025 38.494 25.475 1.00 0.00 C ATOM 663 NE ARG A 42 53.254 37.821 26.520 1.00 0.00 N ATOM 664 CZ ARG A 42 53.326 38.005 27.845 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.273 38.749 28.435 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.390 37.439 28.619 1.00 0.00 N ATOM 0 H ARG A 42 52.604 42.374 23.517 1.00 0.00 H new ATOM 0 HA ARG A 42 50.814 40.030 23.354 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.769 40.922 25.491 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.538 39.700 25.740 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.522 38.308 23.949 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.722 39.543 23.624 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.708 37.783 25.010 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.637 39.278 25.920 1.00 0.00 H new ATOM 0 HE ARG A 42 52.579 37.126 26.201 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.986 39.209 27.869 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.280 38.855 29.449 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.646 36.884 28.196 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.421 37.563 29.631 1.00 0.00 H new ATOM 680 N LEU A 43 48.974 41.256 24.545 1.00 0.00 N ATOM 681 CA LEU A 43 47.847 42.007 25.061 1.00 0.00 C ATOM 682 C LEU A 43 47.203 41.326 26.271 1.00 0.00 C ATOM 683 O LEU A 43 46.749 40.187 26.192 1.00 0.00 O ATOM 684 CB LEU A 43 46.831 42.284 23.958 1.00 0.00 C ATOM 685 CG LEU A 43 47.295 43.234 22.858 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.176 43.406 21.833 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.657 44.625 23.369 1.00 0.00 C ATOM 0 H LEU A 43 48.713 40.346 24.164 1.00 0.00 H new ATOM 0 HA LEU A 43 48.226 42.965 25.415 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.551 41.335 23.500 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.930 42.696 24.413 1.00 0.00 H new ATOM 0 HG LEU A 43 48.190 42.784 22.427 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.505 44.084 21.046 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.929 42.438 21.398 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.294 43.819 22.323 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.978 45.247 22.534 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.786 45.076 23.844 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.466 44.547 24.095 1.00 0.00 H new ATOM 699 N ILE A 44 47.164 42.060 27.380 1.00 0.00 N ATOM 700 CA ILE A 44 46.731 41.618 28.690 1.00 0.00 C ATOM 701 C ILE A 44 45.466 42.368 29.110 1.00 0.00 C ATOM 702 O ILE A 44 45.386 43.588 28.980 1.00 0.00 O ATOM 703 CB ILE A 44 47.848 41.801 29.714 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.220 41.295 29.282 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.472 41.196 31.064 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.320 39.816 28.922 1.00 0.00 C ATOM 0 H ILE A 44 47.453 43.038 27.381 1.00 0.00 H new ATOM 0 HA ILE A 44 46.495 40.555 28.642 1.00 0.00 H new ATOM 0 HB ILE A 44 47.948 42.883 29.803 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.542 41.878 28.419 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.927 41.498 30.086 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.290 41.344 31.769 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.573 41.682 31.443 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.284 40.129 30.945 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.344 39.581 28.632 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.039 39.212 29.785 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.648 39.597 28.092 1.00 0.00 H new ATOM 718 N PHE A 45 44.483 41.652 29.649 1.00 0.00 N ATOM 719 CA PHE A 45 43.301 42.209 30.275 1.00 0.00 C ATOM 720 C PHE A 45 42.913 41.388 31.505 1.00 0.00 C ATOM 721 O PHE A 45 42.979 40.161 31.477 1.00 0.00 O ATOM 722 CB PHE A 45 42.157 42.252 29.266 1.00 0.00 C ATOM 723 CG PHE A 45 40.852 42.779 29.812 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.722 44.141 30.111 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.769 41.915 30.016 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.517 44.634 30.623 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.558 42.413 30.512 1.00 0.00 C ATOM 728 CZ PHE A 45 38.427 43.775 30.808 1.00 0.00 C ATOM 0 H PHE A 45 44.494 40.632 29.659 1.00 0.00 H new ATOM 0 HA PHE A 45 43.515 43.226 30.604 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.459 42.872 28.422 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.993 41.246 28.880 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.553 44.811 29.946 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.868 40.863 29.791 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.427 45.680 30.876 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.723 41.745 30.667 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.489 44.162 31.178 1.00 0.00 H new ATOM 738 N ALA A 46 42.516 42.062 32.581 1.00 0.00 N ATOM 739 CA ALA A 46 42.212 41.470 33.868 1.00 0.00 C ATOM 740 C ALA A 46 43.255 40.449 34.330 1.00 0.00 C ATOM 741 O ALA A 46 42.926 39.360 34.796 1.00 0.00 O ATOM 742 CB ALA A 46 40.769 40.976 33.861 1.00 0.00 C ATOM 0 H ALA A 46 42.394 43.075 32.573 1.00 0.00 H new ATOM 0 HA ALA A 46 42.284 42.233 34.643 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.533 40.529 34.827 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.098 41.815 33.676 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.643 40.231 33.076 1.00 0.00 H new ATOM 748 N GLY A 47 44.529 40.785 34.153 1.00 0.00 N ATOM 749 CA GLY A 47 45.677 40.006 34.571 1.00 0.00 C ATOM 750 C GLY A 47 46.094 38.841 33.670 1.00 0.00 C ATOM 751 O GLY A 47 47.097 38.201 33.975 1.00 0.00 O ATOM 0 H GLY A 47 44.796 41.654 33.690 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.527 40.681 34.666 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.472 39.609 35.565 1.00 0.00 H new ATOM 755 N LYS A 48 45.375 38.554 32.589 1.00 0.00 N ATOM 756 CA LYS A 48 45.603 37.408 31.732 1.00 0.00 C ATOM 757 C LYS A 48 45.698 37.787 30.253 1.00 0.00 C ATOM 758 O LYS A 48 45.136 38.792 29.821 1.00 0.00 O ATOM 759 CB LYS A 48 44.518 36.360 31.964 1.00 0.00 C ATOM 760 CG LYS A 48 44.464 35.826 33.392 1.00 0.00 C ATOM 761 CD LYS A 48 43.453 34.698 33.576 1.00 0.00 C ATOM 762 CE LYS A 48 42.049 35.120 33.150 1.00 0.00 C ATOM 763 NZ LYS A 48 41.030 34.165 33.611 1.00 0.00 N ATOM 0 H LYS A 48 44.595 39.134 32.281 1.00 0.00 H new ATOM 0 HA LYS A 48 46.571 36.985 32.000 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.550 36.793 31.712 1.00 0.00 H new ATOM 0 HB3 LYS A 48 44.681 35.526 31.281 1.00 0.00 H new ATOM 0 HG2 LYS A 48 45.453 35.468 33.676 1.00 0.00 H new ATOM 0 HG3 LYS A 48 44.214 36.643 34.069 1.00 0.00 H new ATOM 0 HD2 LYS A 48 43.765 33.832 32.993 1.00 0.00 H new ATOM 0 HD3 LYS A 48 43.438 34.390 34.621 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.829 36.109 33.552 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.007 35.201 32.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 40.090 34.485 33.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.226 33.227 33.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.053 34.107 34.649 1.00 0.00 H new ATOM 777 N GLN A 49 46.408 36.983 29.467 1.00 0.00 N ATOM 778 CA GLN A 49 46.617 37.219 28.053 1.00 0.00 C ATOM 779 C GLN A 49 45.422 36.808 27.191 1.00 0.00 C ATOM 780 O GLN A 49 44.839 35.747 27.405 1.00 0.00 O ATOM 781 CB GLN A 49 47.911 36.535 27.620 1.00 0.00 C ATOM 782 CG GLN A 49 48.307 36.911 26.194 1.00 0.00 C ATOM 783 CD GLN A 49 49.708 36.413 25.830 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.682 36.663 26.538 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.870 35.693 24.725 1.00 0.00 N ATOM 0 H GLN A 49 46.860 36.135 29.807 1.00 0.00 H new ATOM 0 HA GLN A 49 46.712 38.293 27.896 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.714 36.811 28.304 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.791 35.454 27.690 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.582 36.493 25.496 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.268 37.995 26.082 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.067 35.481 24.132 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.797 35.352 24.470 1.00 0.00 H new ATOM 794 N LEU A 50 45.079 37.623 26.197 1.00 0.00 N ATOM 795 CA LEU A 50 43.972 37.404 25.288 1.00 0.00 C ATOM 796 C LEU A 50 44.387 36.697 23.997 1.00 0.00 C ATOM 797 O LEU A 50 45.519 36.829 23.538 1.00 0.00 O ATOM 798 CB LEU A 50 43.305 38.741 24.977 1.00 0.00 C ATOM 799 CG LEU A 50 42.808 39.559 26.166 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.164 40.841 25.645 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.772 38.803 26.991 1.00 0.00 C ATOM 0 H LEU A 50 45.588 38.485 26.000 1.00 0.00 H new ATOM 0 HA LEU A 50 43.266 36.738 25.784 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.014 39.352 24.418 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.458 38.552 24.318 1.00 0.00 H new ATOM 0 HG LEU A 50 43.665 39.771 26.806 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.804 41.435 26.485 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.900 41.416 25.083 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.327 40.589 24.994 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.448 39.424 27.826 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.914 38.561 26.364 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.213 37.883 27.374 1.00 0.00 H new ATOM 813 N GLU A 51 43.466 35.969 23.370 1.00 0.00 N ATOM 814 CA GLU A 51 43.698 35.188 22.172 1.00 0.00 C ATOM 815 C GLU A 51 43.386 35.957 20.887 1.00 0.00 C ATOM 816 O GLU A 51 42.306 36.524 20.745 1.00 0.00 O ATOM 817 CB GLU A 51 42.859 33.914 22.213 1.00 0.00 C ATOM 818 CG GLU A 51 43.227 32.973 23.356 1.00 0.00 C ATOM 819 CD GLU A 51 42.235 31.813 23.470 1.00 0.00 C ATOM 820 OE1 GLU A 51 41.373 31.831 24.374 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.332 30.857 22.670 1.00 0.00 O ATOM 0 H GLU A 51 42.503 35.909 23.700 1.00 0.00 H new ATOM 0 HA GLU A 51 44.761 34.947 22.156 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.807 34.185 22.302 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.973 33.384 21.267 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.231 32.580 23.196 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.248 33.529 24.294 1.00 0.00 H new ATOM 828 N ASP A 52 44.290 35.905 19.912 1.00 0.00 N ATOM 829 CA ASP A 52 44.171 36.579 18.635 1.00 0.00 C ATOM 830 C ASP A 52 42.888 36.232 17.876 1.00 0.00 C ATOM 831 O ASP A 52 42.259 37.115 17.298 1.00 0.00 O ATOM 832 CB ASP A 52 45.396 36.283 17.775 1.00 0.00 C ATOM 833 CG ASP A 52 46.625 37.126 18.119 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.673 37.747 19.203 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.584 37.151 17.318 1.00 0.00 O ATOM 0 H ASP A 52 45.155 35.371 19.999 1.00 0.00 H new ATOM 0 HA ASP A 52 44.115 37.646 18.850 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.652 35.229 17.879 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.139 36.447 16.728 1.00 0.00 H new ATOM 840 N GLY A 53 42.458 34.974 17.910 1.00 0.00 N ATOM 841 CA GLY A 53 41.287 34.485 17.210 1.00 0.00 C ATOM 842 C GLY A 53 39.931 34.824 17.831 1.00 0.00 C ATOM 843 O GLY A 53 38.923 34.306 17.358 1.00 0.00 O ATOM 0 H GLY A 53 42.935 34.248 18.445 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.306 34.881 16.195 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.365 33.401 17.131 1.00 0.00 H new ATOM 847 N ARG A 54 39.874 35.621 18.896 1.00 0.00 N ATOM 848 CA ARG A 54 38.673 35.915 19.650 1.00 0.00 C ATOM 849 C ARG A 54 38.303 37.400 19.620 1.00 0.00 C ATOM 850 O ARG A 54 39.121 38.244 19.261 1.00 0.00 O ATOM 851 CB ARG A 54 38.812 35.370 21.069 1.00 0.00 C ATOM 852 CG ARG A 54 38.852 33.844 21.092 1.00 0.00 C ATOM 853 CD ARG A 54 39.017 33.274 22.498 1.00 0.00 C ATOM 854 NE ARG A 54 37.853 33.505 23.354 1.00 0.00 N ATOM 855 CZ ARG A 54 37.773 33.127 24.637 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.755 32.472 25.271 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.660 33.392 25.334 1.00 0.00 N ATOM 0 H ARG A 54 40.699 36.094 19.266 1.00 0.00 H new ATOM 0 HA ARG A 54 37.836 35.409 19.170 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.722 35.764 21.521 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.977 35.720 21.676 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.933 33.455 20.654 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.675 33.498 20.467 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.202 32.202 22.429 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.896 33.720 22.963 1.00 0.00 H new ATOM 0 HE ARG A 54 37.050 33.985 22.948 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.615 32.238 24.775 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.642 32.207 26.250 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.882 33.878 24.887 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.590 33.108 26.311 1.00 0.00 H new ATOM 871 N THR A 55 37.064 37.708 19.993 1.00 0.00 N ATOM 872 CA THR A 55 36.461 39.025 19.959 1.00 0.00 C ATOM 873 C THR A 55 36.435 39.704 21.330 1.00 0.00 C ATOM 874 O THR A 55 36.315 39.046 22.361 1.00 0.00 O ATOM 875 CB THR A 55 35.056 39.025 19.364 1.00 0.00 C ATOM 876 OG1 THR A 55 34.168 38.217 20.101 1.00 0.00 O ATOM 877 CG2 THR A 55 35.036 38.555 17.912 1.00 0.00 C ATOM 0 H THR A 55 36.422 36.999 20.347 1.00 0.00 H new ATOM 0 HA THR A 55 37.109 39.603 19.301 1.00 0.00 H new ATOM 0 HB THR A 55 34.729 40.064 19.409 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.280 38.246 19.688 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.013 38.574 17.537 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.656 39.216 17.307 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.425 37.538 17.853 1.00 0.00 H new ATOM 885 N LEU A 56 36.471 41.033 21.345 1.00 0.00 N ATOM 886 CA LEU A 56 36.432 41.836 22.551 1.00 0.00 C ATOM 887 C LEU A 56 35.190 41.558 23.401 1.00 0.00 C ATOM 888 O LEU A 56 35.295 41.408 24.615 1.00 0.00 O ATOM 889 CB LEU A 56 36.508 43.308 22.157 1.00 0.00 C ATOM 890 CG LEU A 56 37.849 43.760 21.588 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.699 45.154 20.983 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.933 43.837 22.661 1.00 0.00 C ATOM 0 H LEU A 56 36.530 41.591 20.493 1.00 0.00 H new ATOM 0 HA LEU A 56 37.286 41.570 23.173 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.732 43.511 21.419 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.281 43.914 23.034 1.00 0.00 H new ATOM 0 HG LEU A 56 38.144 43.025 20.839 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.656 45.479 20.576 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.956 45.127 20.186 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.377 45.853 21.755 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.870 44.163 22.209 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.634 44.549 23.430 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.070 42.854 23.111 1.00 0.00 H new ATOM 904 N SER A 57 34.017 41.440 22.784 1.00 0.00 N ATOM 905 CA SER A 57 32.783 41.185 23.499 1.00 0.00 C ATOM 906 C SER A 57 32.680 39.768 24.066 1.00 0.00 C ATOM 907 O SER A 57 32.038 39.582 25.098 1.00 0.00 O ATOM 908 CB SER A 57 31.584 41.498 22.610 1.00 0.00 C ATOM 909 OG SER A 57 30.441 41.743 23.399 1.00 0.00 O ATOM 0 H SER A 57 33.902 41.520 21.774 1.00 0.00 H new ATOM 0 HA SER A 57 32.785 41.851 24.362 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.800 42.368 21.990 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.396 40.664 21.934 1.00 0.00 H new ATOM 0 HG SER A 57 29.679 41.944 22.817 1.00 0.00 H new ATOM 915 N ASP A 58 33.349 38.770 23.495 1.00 0.00 N ATOM 916 CA ASP A 58 33.371 37.433 24.052 1.00 0.00 C ATOM 917 C ASP A 58 34.121 37.367 25.384 1.00 0.00 C ATOM 918 O ASP A 58 33.772 36.558 26.240 1.00 0.00 O ATOM 919 CB ASP A 58 33.949 36.465 23.023 1.00 0.00 C ATOM 920 CG ASP A 58 33.761 35.001 23.426 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.759 34.254 23.524 1.00 0.00 O ATOM 922 OD2 ASP A 58 32.602 34.569 23.604 1.00 0.00 O ATOM 0 H ASP A 58 33.888 38.871 22.635 1.00 0.00 H new ATOM 0 HA ASP A 58 32.346 37.138 24.278 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.471 36.637 22.058 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.012 36.669 22.893 1.00 0.00 H new ATOM 927 N TYR A 59 35.072 38.272 25.599 1.00 0.00 N ATOM 928 CA TYR A 59 35.736 38.539 26.858 1.00 0.00 C ATOM 929 C TYR A 59 35.026 39.566 27.743 1.00 0.00 C ATOM 930 O TYR A 59 35.558 39.948 28.782 1.00 0.00 O ATOM 931 CB TYR A 59 37.176 38.961 26.576 1.00 0.00 C ATOM 932 CG TYR A 59 38.100 37.871 26.090 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.559 36.904 26.992 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.587 37.891 24.778 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.521 35.966 26.598 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.562 36.970 24.373 1.00 0.00 C ATOM 937 CZ TYR A 59 40.041 36.012 25.289 1.00 0.00 C ATOM 938 OH TYR A 59 41.037 35.161 24.913 1.00 0.00 O ATOM 0 H TYR A 59 35.416 38.872 24.849 1.00 0.00 H new ATOM 0 HA TYR A 59 35.711 37.614 27.435 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.162 39.757 25.831 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.595 39.386 27.488 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.168 36.881 27.999 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.210 38.619 24.075 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.862 35.212 27.292 1.00 0.00 H new ATOM 0 HE2 TYR A 59 39.945 36.994 23.363 1.00 0.00 H new ATOM 0 HH TYR A 59 40.962 34.325 25.419 1.00 0.00 H new ATOM 948 N ASN A 60 33.841 40.045 27.375 1.00 0.00 N ATOM 949 CA ASN A 60 33.120 41.098 28.062 1.00 0.00 C ATOM 950 C ASN A 60 33.900 42.403 28.222 1.00 0.00 C ATOM 951 O ASN A 60 33.763 43.100 29.226 1.00 0.00 O ATOM 952 CB ASN A 60 32.482 40.574 29.345 1.00 0.00 C ATOM 953 CG ASN A 60 31.272 39.669 29.107 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.394 39.964 28.299 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.156 38.558 29.831 1.00 0.00 N ATOM 0 H ASN A 60 33.342 39.693 26.558 1.00 0.00 H new ATOM 0 HA ASN A 60 32.302 41.398 27.407 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.231 40.022 29.913 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.176 41.421 29.960 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.341 37.956 29.714 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.882 38.309 30.503 1.00 0.00 H new ATOM 962 N ILE A 61 34.719 42.784 27.245 1.00 0.00 N ATOM 963 CA ILE A 61 35.385 44.071 27.221 1.00 0.00 C ATOM 964 C ILE A 61 34.397 45.139 26.748 1.00 0.00 C ATOM 965 O ILE A 61 33.603 44.888 25.844 1.00 0.00 O ATOM 966 CB ILE A 61 36.668 43.990 26.401 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.655 43.014 27.037 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.327 45.358 26.252 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.789 42.559 26.123 1.00 0.00 C ATOM 0 H ILE A 61 34.937 42.196 26.441 1.00 0.00 H new ATOM 0 HA ILE A 61 35.703 44.364 28.222 1.00 0.00 H new ATOM 0 HB ILE A 61 36.394 43.631 25.409 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.087 43.482 27.922 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.107 42.135 27.376 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.238 45.261 25.662 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.641 46.040 25.750 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.574 45.752 27.238 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.437 41.869 26.663 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.373 42.058 25.249 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.368 43.425 25.803 1.00 0.00 H new ATOM 981 N GLN A 62 34.409 46.311 27.377 1.00 0.00 N ATOM 982 CA GLN A 62 33.413 47.352 27.223 1.00 0.00 C ATOM 983 C GLN A 62 34.031 48.721 26.931 1.00 0.00 C ATOM 984 O GLN A 62 35.242 48.914 27.004 1.00 0.00 O ATOM 985 CB GLN A 62 32.561 47.401 28.488 1.00 0.00 C ATOM 986 CG GLN A 62 31.639 46.200 28.673 1.00 0.00 C ATOM 987 CD GLN A 62 30.890 46.267 30.005 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.209 45.572 30.966 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.882 47.125 30.143 1.00 0.00 N ATOM 0 H GLN A 62 35.146 46.566 28.034 1.00 0.00 H new ATOM 0 HA GLN A 62 32.794 47.110 26.359 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.220 47.474 29.353 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.957 48.308 28.470 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.922 46.161 27.853 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.224 45.281 28.629 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.601 47.712 29.358 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.391 47.196 31.034 1.00 0.00 H new ATOM 998 N LYS A 63 33.188 49.704 26.629 1.00 0.00 N ATOM 999 CA LYS A 63 33.555 51.098 26.474 1.00 0.00 C ATOM 1000 C LYS A 63 34.303 51.603 27.710 1.00 0.00 C ATOM 1001 O LYS A 63 33.828 51.434 28.830 1.00 0.00 O ATOM 1002 CB LYS A 63 32.286 51.891 26.178 1.00 0.00 C ATOM 1003 CG LYS A 63 32.481 53.368 25.849 1.00 0.00 C ATOM 1004 CD LYS A 63 32.173 54.303 27.015 1.00 0.00 C ATOM 1005 CE LYS A 63 32.403 55.752 26.596 1.00 0.00 C ATOM 1006 NZ LYS A 63 32.193 56.692 27.708 1.00 0.00 N ATOM 0 H LYS A 63 32.192 49.539 26.481 1.00 0.00 H new ATOM 0 HA LYS A 63 34.245 51.227 25.640 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.773 51.418 25.341 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.625 51.816 27.041 1.00 0.00 H new ATOM 0 HG2 LYS A 63 33.511 53.527 25.530 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.842 53.631 25.006 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.140 54.168 27.337 1.00 0.00 H new ATOM 0 HD3 LYS A 63 32.807 54.057 27.867 1.00 0.00 H new ATOM 0 HE2 LYS A 63 33.419 55.862 26.217 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.728 56.003 25.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 32.505 57.642 27.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.183 56.719 27.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.742 56.380 28.534 1.00 0.00 H new ATOM 1020 N GLU A 64 35.461 52.225 27.507 1.00 0.00 N ATOM 1021 CA GLU A 64 36.396 52.678 28.517 1.00 0.00 C ATOM 1022 C GLU A 64 37.085 51.607 29.365 1.00 0.00 C ATOM 1023 O GLU A 64 37.777 51.959 30.319 1.00 0.00 O ATOM 1024 CB GLU A 64 35.822 53.826 29.343 1.00 0.00 C ATOM 1025 CG GLU A 64 35.635 55.108 28.537 1.00 0.00 C ATOM 1026 CD GLU A 64 35.195 56.245 29.462 1.00 0.00 C ATOM 1027 OE1 GLU A 64 36.062 57.023 29.917 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.983 56.361 29.745 1.00 0.00 O ATOM 0 H GLU A 64 35.788 52.438 26.565 1.00 0.00 H new ATOM 0 HA GLU A 64 37.233 53.060 27.933 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.861 53.522 29.759 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.484 54.027 30.185 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.567 55.373 28.038 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.889 54.952 27.757 1.00 0.00 H new ATOM 1035 N SER A 65 37.003 50.324 29.026 1.00 0.00 N ATOM 1036 CA SER A 65 37.889 49.317 29.571 1.00 0.00 C ATOM 1037 C SER A 65 39.347 49.583 29.192 1.00 0.00 C ATOM 1038 O SER A 65 39.619 50.095 28.109 1.00 0.00 O ATOM 1039 CB SER A 65 37.513 47.920 29.085 1.00 0.00 C ATOM 1040 OG SER A 65 36.229 47.515 29.507 1.00 0.00 O ATOM 0 H SER A 65 36.318 49.959 28.365 1.00 0.00 H new ATOM 0 HA SER A 65 37.780 49.370 30.654 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.555 47.897 27.996 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.251 47.205 29.448 1.00 0.00 H new ATOM 0 HG SER A 65 36.251 46.569 29.760 1.00 0.00 H new ATOM 1046 N THR A 66 40.292 49.194 30.043 1.00 0.00 N ATOM 1047 CA THR A 66 41.714 49.357 29.815 1.00 0.00 C ATOM 1048 C THR A 66 42.434 48.012 29.702 1.00 0.00 C ATOM 1049 O THR A 66 42.360 47.169 30.594 1.00 0.00 O ATOM 1050 CB THR A 66 42.373 50.223 30.885 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.707 51.457 31.026 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.824 50.556 30.553 1.00 0.00 C ATOM 0 H THR A 66 40.078 48.745 30.933 1.00 0.00 H new ATOM 0 HA THR A 66 41.810 49.873 28.860 1.00 0.00 H new ATOM 0 HB THR A 66 42.321 49.634 31.801 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.150 51.990 31.719 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.246 51.174 31.346 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.398 49.634 30.467 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.866 51.099 29.609 1.00 0.00 H new ATOM 1060 N LEU A 67 43.183 47.823 28.618 1.00 0.00 N ATOM 1061 CA LEU A 67 44.086 46.713 28.386 1.00 0.00 C ATOM 1062 C LEU A 67 45.535 47.168 28.568 1.00 0.00 C ATOM 1063 O LEU A 67 45.845 48.348 28.415 1.00 0.00 O ATOM 1064 CB LEU A 67 43.880 46.135 26.989 1.00 0.00 C ATOM 1065 CG LEU A 67 42.498 45.578 26.660 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.497 46.643 26.224 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.627 44.591 25.504 1.00 0.00 C ATOM 0 H LEU A 67 43.171 48.481 27.838 1.00 0.00 H new ATOM 0 HA LEU A 67 43.870 45.931 29.114 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.111 46.915 26.264 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.609 45.338 26.843 1.00 0.00 H new ATOM 0 HG LEU A 67 42.128 45.117 27.576 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.538 46.173 26.007 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.371 47.373 27.024 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.866 47.145 25.330 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.645 44.186 25.260 1.00 0.00 H new ATOM 0 HD22 LEU A 67 43.035 45.103 24.633 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.293 43.778 25.792 1.00 0.00 H new ATOM 1079 N HIS A 68 46.444 46.241 28.857 1.00 0.00 N ATOM 1080 CA HIS A 68 47.867 46.495 28.947 1.00 0.00 C ATOM 1081 C HIS A 68 48.607 45.867 27.764 1.00 0.00 C ATOM 1082 O HIS A 68 48.316 44.741 27.367 1.00 0.00 O ATOM 1083 CB HIS A 68 48.414 46.009 30.287 1.00 0.00 C ATOM 1084 CG HIS A 68 48.182 46.960 31.428 1.00 0.00 C ATOM 1085 ND1 HIS A 68 49.171 47.430 32.292 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.980 47.494 31.818 1.00 0.00 C ATOM 1087 CE1 HIS A 68 48.565 48.243 33.161 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.247 48.295 32.912 1.00 0.00 N ATOM 0 H HIS A 68 46.198 45.268 29.039 1.00 0.00 H new ATOM 0 HA HIS A 68 48.034 47.571 28.897 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.955 45.050 30.528 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.485 45.833 30.187 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.017 47.322 31.361 1.00 0.00 H new ATOM 0 HE1 HIS A 68 49.065 48.782 33.952 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.560 48.834 33.440 1.00 0.00 H new ATOM 1096 N LEU A 69 49.571 46.597 27.210 1.00 0.00 N ATOM 1097 CA LEU A 69 50.460 46.158 26.154 1.00 0.00 C ATOM 1098 C LEU A 69 51.836 45.831 26.738 1.00 0.00 C ATOM 1099 O LEU A 69 52.410 46.639 27.465 1.00 0.00 O ATOM 1100 CB LEU A 69 50.515 47.247 25.085 1.00 0.00 C ATOM 1101 CG LEU A 69 51.541 47.047 23.975 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.303 45.800 23.128 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.498 48.253 23.040 1.00 0.00 C ATOM 0 H LEU A 69 49.757 47.556 27.504 1.00 0.00 H new ATOM 0 HA LEU A 69 50.094 45.244 25.686 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.528 47.330 24.629 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.721 48.199 25.575 1.00 0.00 H new ATOM 0 HG LEU A 69 52.505 46.930 24.469 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.074 45.729 22.361 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.341 44.916 23.764 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.324 45.864 22.653 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.228 48.121 22.242 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.501 48.344 22.609 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.734 49.157 23.601 1.00 0.00 H new ATOM 1115 N VAL A 70 52.370 44.661 26.400 1.00 0.00 N ATOM 1116 CA VAL A 70 53.678 44.178 26.792 1.00 0.00 C ATOM 1117 C VAL A 70 54.426 43.704 25.545 1.00 0.00 C ATOM 1118 O VAL A 70 53.798 43.288 24.574 1.00 0.00 O ATOM 1119 CB VAL A 70 53.529 43.085 27.846 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.861 42.502 28.308 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.810 43.591 29.093 1.00 0.00 C ATOM 0 H VAL A 70 51.870 43.993 25.814 1.00 0.00 H new ATOM 0 HA VAL A 70 54.267 44.975 27.247 1.00 0.00 H new ATOM 0 HB VAL A 70 52.948 42.310 27.346 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.680 41.731 29.057 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.382 42.065 27.456 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.473 43.293 28.742 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.725 42.781 29.818 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.377 44.413 29.531 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.814 43.941 28.822 1.00 0.00 H new ATOM 1131 N LEU A 71 55.754 43.780 25.541 1.00 0.00 N ATOM 1132 CA LEU A 71 56.595 43.395 24.427 1.00 0.00 C ATOM 1133 C LEU A 71 57.383 42.112 24.703 1.00 0.00 C ATOM 1134 O LEU A 71 57.637 41.766 25.855 1.00 0.00 O ATOM 1135 CB LEU A 71 57.502 44.549 24.009 1.00 0.00 C ATOM 1136 CG LEU A 71 56.787 45.832 23.596 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.812 46.899 23.220 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.845 45.643 22.410 1.00 0.00 C ATOM 0 H LEU A 71 56.285 44.123 26.342 1.00 0.00 H new ATOM 0 HA LEU A 71 55.939 43.166 23.587 1.00 0.00 H new ATOM 0 HB2 LEU A 71 58.173 44.778 24.837 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.123 44.217 23.177 1.00 0.00 H new ATOM 0 HG LEU A 71 56.190 46.136 24.456 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.295 47.813 22.926 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.454 47.105 24.077 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.420 46.543 22.388 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.369 46.593 22.168 1.00 0.00 H new ATOM 0 HD22 LEU A 71 56.412 45.291 21.548 1.00 0.00 H new ATOM 0 HD23 LEU A 71 55.081 44.909 22.666 1.00 0.00 H new ATOM 1150 N ARG A 72 57.771 41.417 23.639 1.00 0.00 N ATOM 1151 CA ARG A 72 58.572 40.211 23.670 1.00 0.00 C ATOM 1152 C ARG A 72 60.074 40.505 23.704 1.00 0.00 C ATOM 1153 O ARG A 72 60.501 41.592 23.321 1.00 0.00 O ATOM 1154 CB ARG A 72 58.200 39.297 22.504 1.00 0.00 C ATOM 1155 CG ARG A 72 56.762 38.795 22.607 1.00 0.00 C ATOM 1156 CD ARG A 72 56.482 37.783 21.500 1.00 0.00 C ATOM 1157 NE ARG A 72 55.123 37.252 21.597 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.690 36.327 22.466 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.510 35.686 23.311 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.381 36.047 22.513 1.00 0.00 N ATOM 0 H ARG A 72 57.521 41.697 22.691 1.00 0.00 H new ATOM 0 HA ARG A 72 58.347 39.690 24.601 1.00 0.00 H new ATOM 0 HB2 ARG A 72 58.330 39.836 21.565 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.880 38.446 22.479 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.598 38.335 23.581 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.069 39.633 22.529 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.621 38.256 20.528 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.200 36.965 21.562 1.00 0.00 H new ATOM 0 HE ARG A 72 54.437 37.622 20.939 1.00 0.00 H new ATOM 0 HH11 ARG A 72 56.508 35.895 23.310 1.00 0.00 H new ATOM 0 HH12 ARG A 72 55.136 34.989 23.955 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.733 36.534 21.894 1.00 0.00 H new ATOM 0 HH22 ARG A 72 53.032 35.346 23.167 1.00 0.00 H new ATOM 1174 N LEU A 73 60.856 39.549 24.198 1.00 0.00 N ATOM 1175 CA LEU A 73 62.213 39.742 24.667 1.00 0.00 C ATOM 1176 C LEU A 73 63.195 38.676 24.175 1.00 0.00 C ATOM 1177 O LEU A 73 64.206 38.435 24.831 1.00 0.00 O ATOM 1178 CB LEU A 73 62.186 39.841 26.190 1.00 0.00 C ATOM 1179 CG LEU A 73 61.337 40.957 26.790 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.279 40.828 28.309 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.873 42.347 26.463 1.00 0.00 C ATOM 0 H LEU A 73 60.543 38.582 24.283 1.00 0.00 H new ATOM 0 HA LEU A 73 62.593 40.670 24.239 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.828 38.891 26.586 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.210 39.967 26.541 1.00 0.00 H new ATOM 0 HG LEU A 73 60.346 40.849 26.348 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.669 41.633 28.719 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.839 39.867 28.576 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.287 40.892 28.718 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.229 43.101 26.916 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.884 42.449 26.857 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.889 42.486 25.382 1.00 0.00 H new ATOM 1193 N ARG A 74 62.931 38.006 23.056 1.00 0.00 N ATOM 1194 CA ARG A 74 63.725 36.903 22.558 1.00 0.00 C ATOM 1195 C ARG A 74 64.285 37.092 21.147 1.00 0.00 C ATOM 1196 O ARG A 74 65.456 36.794 20.926 1.00 0.00 O ATOM 1197 CB ARG A 74 62.940 35.601 22.699 1.00 0.00 C ATOM 1198 CG ARG A 74 63.853 34.382 22.604 1.00 0.00 C ATOM 1199 CD ARG A 74 63.127 33.043 22.676 1.00 0.00 C ATOM 1200 NE ARG A 74 62.497 32.791 23.973 1.00 0.00 N ATOM 1201 CZ ARG A 74 61.899 31.650 24.341 1.00 0.00 C ATOM 1202 NH1 ARG A 74 61.822 30.572 23.548 1.00 0.00 N ATOM 1203 NH2 ARG A 74 61.341 31.585 25.558 1.00 0.00 N ATOM 0 H ARG A 74 62.134 38.228 22.459 1.00 0.00 H new ATOM 0 HA ARG A 74 64.618 36.861 23.181 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.418 35.592 23.656 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.179 35.548 21.920 1.00 0.00 H new ATOM 0 HG2 ARG A 74 64.407 34.431 21.667 1.00 0.00 H new ATOM 0 HG3 ARG A 74 64.585 34.428 23.410 1.00 0.00 H new ATOM 0 HD2 ARG A 74 62.365 33.009 21.898 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.835 32.242 22.463 1.00 0.00 H new ATOM 0 HE ARG A 74 62.515 33.549 24.655 1.00 0.00 H new ATOM 0 HH11 ARG A 74 62.231 30.596 22.614 1.00 0.00 H new ATOM 0 HH12 ARG A 74 61.355 29.728 23.879 1.00 0.00 H new ATOM 0 HH21 ARG A 74 61.378 32.393 26.180 1.00 0.00 H new ATOM 0 HH22 ARG A 74 60.880 30.728 25.862 1.00 0.00 H new ATOM 1217 N GLY A 75 63.488 37.589 20.205 1.00 0.00 N ATOM 1218 CA GLY A 75 63.809 37.663 18.794 1.00 0.00 C ATOM 1219 C GLY A 75 64.618 38.881 18.347 1.00 0.00 C ATOM 1220 O GLY A 75 64.908 39.018 17.161 1.00 0.00 O ATOM 0 H GLY A 75 62.564 37.965 20.419 1.00 0.00 H new ATOM 0 HA2 GLY A 75 64.364 36.765 18.522 1.00 0.00 H new ATOM 0 HA3 GLY A 75 62.877 37.645 18.230 1.00 0.00 H new ATOM 1224 N GLY A 76 64.948 39.792 19.260 1.00 0.00 N ATOM 1225 CA GLY A 76 65.762 40.970 19.038 1.00 0.00 C ATOM 1226 C GLY A 76 67.237 40.746 19.376 1.00 0.00 C ATOM 1227 O GLY A 76 68.094 41.110 18.542 1.00 0.00 O ATOM 1228 OXT GLY A 76 67.518 40.238 20.484 1.00 0.00 O ATOM 0 H GLY A 76 64.633 39.717 20.227 1.00 0.00 H new ATOM 0 HA2 GLY A 76 65.676 41.274 17.995 1.00 0.00 H new ATOM 0 HA3 GLY A 76 65.377 41.791 19.642 1.00 0.00 H new TER 1232 GLY A 76