USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 7 THR OG1 : rot 122:sc= 1.71 USER MOD Set 1.2: A 9 THR OG1 : rot -163:sc= 0.727 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.933 (180deg=0.784) USER MOD Single : A 2 GLN : amide:sc= 0.00369 K(o=0.0037,f=-4.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -173:sc= 1.21 (180deg=0.93) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.035 K(o=-0.035,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= 2.17 (180deg=2.05) USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= 1.13 (180deg=0.141) USER MOD Single : A 31 GLN : amide:sc=-0.00534 X(o=-0.0053,f=-0.31) USER MOD Single : A 33 LYS NZ :NH3+ -107:sc= 0.37 (180deg=-0.00638) USER MOD Single : A 40 GLN : amide:sc=-0.00946 K(o=-0.0095,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -0.981 K(o=-0.98,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.6) USER MOD Single : A 55 THR OG1 : rot 104:sc= 0.855 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.785 USER MOD Single : A 60 ASN : amide:sc= -0.896 K(o=-0.9,f=-0.032) USER MOD Single : A 62 GLN : amide:sc= -0.0977 K(o=-0.098,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 98:sc= 0.725 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 -4.836 43.758 -11.838 1.00 0.00 N ATOM 2 CA MET A 1 -5.292 44.644 -10.695 1.00 0.00 C ATOM 3 C MET A 1 -4.156 44.914 -9.725 1.00 0.00 C ATOM 4 O MET A 1 -3.127 44.275 -9.793 1.00 0.00 O ATOM 5 CB MET A 1 -6.590 44.145 -10.011 1.00 0.00 C ATOM 6 CG MET A 1 -6.588 42.641 -9.602 1.00 0.00 C ATOM 7 SD MET A 1 -5.394 42.329 -8.309 1.00 0.00 S ATOM 8 CE MET A 1 -5.926 40.634 -7.846 1.00 0.00 C ATOM 0 H1 MET A 1 -5.667 43.383 -12.339 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.256 44.314 -12.498 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.273 42.969 -11.462 1.00 0.00 H new ATOM 0 HA MET A 1 -5.571 45.605 -11.126 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.767 44.747 -9.120 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.428 44.321 -10.686 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.582 42.352 -9.261 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.357 42.025 -10.471 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.292 40.261 -7.042 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.963 40.657 -7.510 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.840 39.977 -8.711 1.00 0.00 H new ATOM 18 N GLN A 2 -4.289 45.954 -8.809 1.00 0.00 N ATOM 19 CA GLN A 2 -3.263 46.175 -7.774 1.00 0.00 C ATOM 20 C GLN A 2 -3.354 45.261 -6.562 1.00 0.00 C ATOM 21 O GLN A 2 -4.426 44.932 -6.175 1.00 0.00 O ATOM 22 CB GLN A 2 -3.165 47.656 -7.327 1.00 0.00 C ATOM 23 CG GLN A 2 -4.484 48.179 -6.615 1.00 0.00 C ATOM 24 CD GLN A 2 -5.654 48.522 -7.507 1.00 0.00 C ATOM 25 OE1 GLN A 2 -6.468 47.644 -7.928 1.00 0.00 O ATOM 26 NE2 GLN A 2 -5.881 49.735 -7.861 1.00 0.00 N ATOM 0 H GLN A 2 -5.070 46.609 -8.788 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.340 45.902 -8.285 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.322 47.769 -6.645 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.957 48.279 -8.197 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.810 47.419 -5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.228 49.066 -6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.259 50.482 -7.551 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.684 49.952 -8.452 1.00 0.00 H new ATOM 35 N ILE A 3 -2.178 44.847 -5.987 1.00 0.00 N ATOM 36 CA ILE A 3 -2.056 44.289 -4.642 1.00 0.00 C ATOM 37 C ILE A 3 -1.022 45.206 -3.967 1.00 0.00 C ATOM 38 O ILE A 3 -0.028 45.545 -4.634 1.00 0.00 O ATOM 39 CB ILE A 3 -1.622 42.776 -4.624 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.252 42.581 -5.381 1.00 0.00 C ATOM 41 CG2 ILE A 3 -2.730 41.829 -5.244 1.00 0.00 C ATOM 42 CD1 ILE A 3 0.374 41.189 -5.046 1.00 0.00 C ATOM 0 H ILE A 3 -1.284 44.903 -6.475 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.013 44.270 -4.121 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.496 42.492 -3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.410 42.664 -6.456 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.441 43.374 -5.099 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.386 40.795 -5.210 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.652 41.924 -4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.916 42.116 -6.279 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.318 41.077 -5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.553 41.119 -3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.312 40.399 -5.352 1.00 0.00 H new ATOM 54 N PHE A 4 -1.261 45.666 -2.701 1.00 0.00 N ATOM 55 CA PHE A 4 -0.381 46.635 -2.075 1.00 0.00 C ATOM 56 C PHE A 4 0.514 45.879 -1.144 1.00 0.00 C ATOM 57 O PHE A 4 0.047 45.243 -0.220 1.00 0.00 O ATOM 58 CB PHE A 4 -1.267 47.615 -1.260 1.00 0.00 C ATOM 59 CG PHE A 4 -2.193 48.386 -2.147 1.00 0.00 C ATOM 60 CD1 PHE A 4 -1.724 48.906 -3.390 1.00 0.00 C ATOM 61 CD2 PHE A 4 -3.374 48.930 -1.596 1.00 0.00 C ATOM 62 CE1 PHE A 4 -2.536 49.699 -4.168 1.00 0.00 C ATOM 63 CE2 PHE A 4 -4.200 49.708 -2.416 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.728 50.193 -3.625 1.00 0.00 C ATOM 0 H PHE A 4 -2.049 45.372 -2.124 1.00 0.00 H new ATOM 0 HA PHE A 4 0.210 47.188 -2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.847 47.057 -0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.632 48.307 -0.707 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.723 48.675 -3.723 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.635 48.750 -0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.257 49.937 -5.184 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.210 49.931 -2.105 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.282 50.956 -4.151 1.00 0.00 H new ATOM 74 N VAL A 5 1.803 45.912 -1.372 1.00 0.00 N ATOM 75 CA VAL A 5 2.685 44.942 -0.685 1.00 0.00 C ATOM 76 C VAL A 5 3.709 45.675 0.187 1.00 0.00 C ATOM 77 O VAL A 5 4.317 46.672 -0.197 1.00 0.00 O ATOM 78 CB VAL A 5 3.295 43.921 -1.679 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.159 42.884 -0.952 1.00 0.00 C ATOM 80 CG2 VAL A 5 2.163 43.200 -2.366 1.00 0.00 C ATOM 0 H VAL A 5 2.272 46.565 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 5 2.091 44.336 -0.001 1.00 0.00 H new ATOM 0 HB VAL A 5 3.922 44.457 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.572 42.182 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.972 43.389 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.547 42.342 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.568 42.475 -3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.557 42.683 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.544 43.920 -2.901 1.00 0.00 H new ATOM 90 N LYS A 6 3.839 45.191 1.408 1.00 0.00 N ATOM 91 CA LYS A 6 4.667 45.847 2.435 1.00 0.00 C ATOM 92 C LYS A 6 6.050 45.182 2.581 1.00 0.00 C ATOM 93 O LYS A 6 6.175 43.968 2.867 1.00 0.00 O ATOM 94 CB LYS A 6 4.024 45.893 3.855 1.00 0.00 C ATOM 95 CG LYS A 6 2.732 46.808 3.969 1.00 0.00 C ATOM 96 CD LYS A 6 2.972 48.267 3.608 1.00 0.00 C ATOM 97 CE LYS A 6 3.852 49.138 4.580 1.00 0.00 C ATOM 98 NZ LYS A 6 3.112 49.498 5.823 1.00 0.00 N ATOM 0 H LYS A 6 3.381 44.337 1.727 1.00 0.00 H new ATOM 0 HA LYS A 6 4.760 46.868 2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.761 44.878 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.770 46.251 4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.956 46.406 3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.351 46.755 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.438 48.294 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.000 48.751 3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.757 48.589 4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.167 50.047 4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.724 50.071 6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.262 50.043 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.833 48.631 6.324 1.00 0.00 H new ATOM 112 N THR A 7 7.116 46.004 2.367 1.00 0.00 N ATOM 113 CA THR A 7 8.492 45.613 2.595 1.00 0.00 C ATOM 114 C THR A 7 8.874 45.735 4.080 1.00 0.00 C ATOM 115 O THR A 7 8.288 46.480 4.895 1.00 0.00 O ATOM 116 CB THR A 7 9.466 46.534 1.729 1.00 0.00 C ATOM 117 OG1 THR A 7 9.408 47.881 2.144 1.00 0.00 O ATOM 118 CG2 THR A 7 9.136 46.497 0.214 1.00 0.00 C ATOM 0 H THR A 7 7.018 46.961 2.028 1.00 0.00 H new ATOM 0 HA THR A 7 8.595 44.570 2.296 1.00 0.00 H new ATOM 0 HB THR A 7 10.464 46.125 1.891 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.302 48.180 2.412 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.830 47.142 -0.325 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.229 45.475 -0.154 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.116 46.848 0.055 1.00 0.00 H new ATOM 126 N LEU A 8 10.019 45.085 4.375 1.00 0.00 N ATOM 127 CA LEU A 8 10.720 45.252 5.635 1.00 0.00 C ATOM 128 C LEU A 8 11.134 46.689 5.987 1.00 0.00 C ATOM 129 O LEU A 8 10.967 47.067 7.142 1.00 0.00 O ATOM 130 CB LEU A 8 11.891 44.286 5.758 1.00 0.00 C ATOM 131 CG LEU A 8 11.485 42.867 5.416 1.00 0.00 C ATOM 132 CD1 LEU A 8 12.773 42.053 5.578 1.00 0.00 C ATOM 133 CD2 LEU A 8 10.359 42.219 6.284 1.00 0.00 C ATOM 0 H LEU A 8 10.472 44.432 3.736 1.00 0.00 H new ATOM 0 HA LEU A 8 9.972 45.001 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.696 44.604 5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.283 44.317 6.774 1.00 0.00 H new ATOM 0 HG LEU A 8 11.048 42.878 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.573 41.006 5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.533 42.435 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.131 42.138 6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.167 41.205 5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.676 42.188 7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.448 42.811 6.199 1.00 0.00 H new ATOM 145 N THR A 9 11.658 47.468 5.026 1.00 0.00 N ATOM 146 CA THR A 9 11.863 48.879 5.202 1.00 0.00 C ATOM 147 C THR A 9 10.560 49.667 5.499 1.00 0.00 C ATOM 148 O THR A 9 10.586 50.858 5.877 1.00 0.00 O ATOM 149 CB THR A 9 12.416 49.397 3.865 1.00 0.00 C ATOM 150 OG1 THR A 9 12.009 48.604 2.772 1.00 0.00 O ATOM 151 CG2 THR A 9 13.940 49.382 3.943 1.00 0.00 C ATOM 0 H THR A 9 11.945 47.118 4.112 1.00 0.00 H new ATOM 0 HA THR A 9 12.526 49.025 6.055 1.00 0.00 H new ATOM 0 HB THR A 9 12.029 50.403 3.703 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.582 48.793 1.999 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.356 49.746 3.004 1.00 0.00 H new ATOM 0 HG22 THR A 9 14.269 50.025 4.759 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.285 48.364 4.122 1.00 0.00 H new ATOM 159 N GLY A 10 9.409 48.977 5.383 1.00 0.00 N ATOM 160 CA GLY A 10 8.153 49.556 5.735 1.00 0.00 C ATOM 161 C GLY A 10 7.360 50.212 4.638 1.00 0.00 C ATOM 162 O GLY A 10 6.399 50.937 4.908 1.00 0.00 O ATOM 0 H GLY A 10 9.351 48.017 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.534 48.775 6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.331 50.299 6.512 1.00 0.00 H new ATOM 166 N LYS A 11 7.569 49.884 3.391 1.00 0.00 N ATOM 167 CA LYS A 11 6.930 50.692 2.320 1.00 0.00 C ATOM 168 C LYS A 11 5.760 49.973 1.685 1.00 0.00 C ATOM 169 O LYS A 11 5.807 48.782 1.373 1.00 0.00 O ATOM 170 CB LYS A 11 7.975 51.028 1.272 1.00 0.00 C ATOM 171 CG LYS A 11 9.064 51.831 2.019 1.00 0.00 C ATOM 172 CD LYS A 11 10.174 52.139 1.040 1.00 0.00 C ATOM 173 CE LYS A 11 10.824 50.829 0.429 1.00 0.00 C ATOM 174 NZ LYS A 11 11.957 51.210 -0.431 1.00 0.00 N ATOM 0 H LYS A 11 8.145 49.104 3.074 1.00 0.00 H new ATOM 0 HA LYS A 11 6.535 51.605 2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.390 50.124 0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.543 51.613 0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.647 52.753 2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.449 51.258 2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.781 52.757 0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.945 52.723 1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.163 50.170 1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.083 50.276 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.314 50.369 -0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.643 51.916 -1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.716 51.614 0.154 1.00 0.00 H new ATOM 188 N THR A 12 4.684 50.754 1.401 1.00 0.00 N ATOM 189 CA THR A 12 3.648 50.232 0.557 1.00 0.00 C ATOM 190 C THR A 12 4.059 50.322 -0.910 1.00 0.00 C ATOM 191 O THR A 12 4.118 51.390 -1.508 1.00 0.00 O ATOM 192 CB THR A 12 2.332 50.998 0.704 1.00 0.00 C ATOM 193 OG1 THR A 12 1.909 50.999 2.074 1.00 0.00 O ATOM 194 CG2 THR A 12 1.196 50.320 -0.074 1.00 0.00 C ATOM 0 H THR A 12 4.539 51.705 1.741 1.00 0.00 H new ATOM 0 HA THR A 12 3.501 49.197 0.867 1.00 0.00 H new ATOM 0 HB THR A 12 2.519 52.004 0.328 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.067 51.493 2.156 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.276 50.891 0.053 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.454 50.278 -1.132 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.050 49.308 0.304 1.00 0.00 H new ATOM 202 N ILE A 13 4.303 49.186 -1.529 1.00 0.00 N ATOM 203 CA ILE A 13 4.605 49.141 -2.955 1.00 0.00 C ATOM 204 C ILE A 13 3.325 48.677 -3.657 1.00 0.00 C ATOM 205 O ILE A 13 2.656 47.741 -3.178 1.00 0.00 O ATOM 206 CB ILE A 13 5.803 48.169 -3.153 1.00 0.00 C ATOM 207 CG1 ILE A 13 6.919 48.480 -2.064 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.370 48.218 -4.614 1.00 0.00 C ATOM 209 CD1 ILE A 13 7.477 49.948 -2.214 1.00 0.00 C ATOM 0 H ILE A 13 4.299 48.275 -1.070 1.00 0.00 H new ATOM 0 HA ILE A 13 4.897 50.103 -3.376 1.00 0.00 H new ATOM 0 HB ILE A 13 5.451 47.147 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.502 48.348 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.737 47.766 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.205 47.523 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.587 47.937 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.713 49.228 -4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.238 50.127 -1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.917 50.071 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.663 50.661 -2.088 1.00 0.00 H new ATOM 221 N THR A 14 2.942 49.402 -4.759 1.00 0.00 N ATOM 222 CA THR A 14 1.908 48.895 -5.702 1.00 0.00 C ATOM 223 C THR A 14 2.426 47.826 -6.655 1.00 0.00 C ATOM 224 O THR A 14 3.393 48.036 -7.390 1.00 0.00 O ATOM 225 CB THR A 14 1.295 50.052 -6.532 1.00 0.00 C ATOM 226 OG1 THR A 14 0.748 51.092 -5.683 1.00 0.00 O ATOM 227 CG2 THR A 14 0.112 49.518 -7.412 1.00 0.00 C ATOM 0 H THR A 14 3.327 50.314 -5.004 1.00 0.00 H new ATOM 0 HA THR A 14 1.145 48.436 -5.073 1.00 0.00 H new ATOM 0 HB THR A 14 2.101 50.456 -7.145 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.372 51.805 -6.240 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.311 50.339 -7.990 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.481 48.749 -8.090 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.658 49.094 -6.768 1.00 0.00 H new ATOM 235 N LEU A 15 1.759 46.650 -6.635 1.00 0.00 N ATOM 236 CA LEU A 15 2.085 45.629 -7.668 1.00 0.00 C ATOM 237 C LEU A 15 0.919 45.364 -8.651 1.00 0.00 C ATOM 238 O LEU A 15 -0.199 45.057 -8.247 1.00 0.00 O ATOM 239 CB LEU A 15 2.560 44.232 -7.114 1.00 0.00 C ATOM 240 CG LEU A 15 3.723 44.379 -6.103 1.00 0.00 C ATOM 241 CD1 LEU A 15 4.002 42.967 -5.493 1.00 0.00 C ATOM 242 CD2 LEU A 15 5.004 44.811 -6.759 1.00 0.00 C ATOM 0 H LEU A 15 1.037 46.389 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 15 2.926 46.095 -8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.722 43.728 -6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.878 43.601 -7.944 1.00 0.00 H new ATOM 0 HG LEU A 15 3.429 45.127 -5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.819 43.036 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.106 42.604 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.277 42.275 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.787 44.899 -6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.299 44.072 -7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.857 45.776 -7.244 1.00 0.00 H new ATOM 254 N GLU A 16 1.195 45.415 -9.944 1.00 0.00 N ATOM 255 CA GLU A 16 0.116 45.080 -10.941 1.00 0.00 C ATOM 256 C GLU A 16 0.195 43.683 -11.592 1.00 0.00 C ATOM 257 O GLU A 16 1.000 43.385 -12.480 1.00 0.00 O ATOM 258 CB GLU A 16 0.091 46.078 -12.121 1.00 0.00 C ATOM 259 CG GLU A 16 -0.168 47.478 -11.661 1.00 0.00 C ATOM 260 CD GLU A 16 -0.666 48.353 -12.873 1.00 0.00 C ATOM 261 OE1 GLU A 16 -1.660 47.914 -13.512 1.00 0.00 O ATOM 262 OE2 GLU A 16 -0.025 49.353 -13.189 1.00 0.00 O ATOM 0 H GLU A 16 2.099 45.668 -10.343 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.777 45.124 -10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.044 46.040 -12.649 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.680 45.781 -12.832 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.916 47.478 -10.869 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.742 47.907 -11.240 1.00 0.00 H new ATOM 269 N VAL A 17 -0.798 42.883 -11.234 1.00 0.00 N ATOM 270 CA VAL A 17 -0.804 41.396 -11.404 1.00 0.00 C ATOM 271 C VAL A 17 -2.163 40.875 -11.941 1.00 0.00 C ATOM 272 O VAL A 17 -3.234 41.428 -11.642 1.00 0.00 O ATOM 273 CB VAL A 17 -0.407 40.684 -10.108 1.00 0.00 C ATOM 274 CG1 VAL A 17 1.040 41.247 -9.787 1.00 0.00 C ATOM 275 CG2 VAL A 17 -1.331 41.074 -8.888 1.00 0.00 C ATOM 0 H VAL A 17 -1.653 43.236 -10.805 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.052 41.160 -12.157 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.476 39.604 -10.238 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.412 40.792 -8.869 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.714 41.008 -10.609 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.990 42.329 -9.662 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.002 40.539 -7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.266 42.148 -8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.363 40.805 -9.113 1.00 0.00 H new ATOM 285 N GLU A 18 -2.092 39.787 -12.744 1.00 0.00 N ATOM 286 CA GLU A 18 -3.309 39.153 -13.285 1.00 0.00 C ATOM 287 C GLU A 18 -3.821 38.141 -12.243 1.00 0.00 C ATOM 288 O GLU A 18 -3.034 37.730 -11.409 1.00 0.00 O ATOM 289 CB GLU A 18 -2.974 38.275 -14.558 1.00 0.00 C ATOM 290 CG GLU A 18 -2.973 39.198 -15.778 1.00 0.00 C ATOM 291 CD GLU A 18 -2.633 38.562 -17.114 1.00 0.00 C ATOM 292 OE1 GLU A 18 -2.739 39.379 -18.029 1.00 0.00 O ATOM 293 OE2 GLU A 18 -2.286 37.400 -17.257 1.00 0.00 O ATOM 0 H GLU A 18 -1.220 39.339 -13.025 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.020 39.943 -13.526 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.003 37.792 -14.444 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.712 37.482 -14.680 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.959 39.655 -15.860 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.263 40.004 -15.594 1.00 0.00 H new ATOM 300 N PRO A 19 -5.111 37.816 -12.204 1.00 0.00 N ATOM 301 CA PRO A 19 -5.633 36.896 -11.119 1.00 0.00 C ATOM 302 C PRO A 19 -5.021 35.539 -11.296 1.00 0.00 C ATOM 303 O PRO A 19 -4.972 34.713 -10.376 1.00 0.00 O ATOM 304 CB PRO A 19 -7.197 36.998 -11.303 1.00 0.00 C ATOM 305 CG PRO A 19 -7.365 37.353 -12.749 1.00 0.00 C ATOM 306 CD PRO A 19 -6.184 38.251 -13.090 1.00 0.00 C ATOM 0 HA PRO A 19 -5.375 37.149 -10.090 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.690 36.056 -11.063 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.628 37.759 -10.652 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.371 36.460 -13.374 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.311 37.868 -12.919 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.898 38.147 -14.137 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.427 39.301 -12.929 1.00 0.00 H new ATOM 314 N SER A 20 -4.506 35.224 -12.494 1.00 0.00 N ATOM 315 CA SER A 20 -3.837 33.927 -12.743 1.00 0.00 C ATOM 316 C SER A 20 -2.367 33.953 -12.503 1.00 0.00 C ATOM 317 O SER A 20 -1.715 33.021 -12.919 1.00 0.00 O ATOM 318 CB SER A 20 -4.146 33.450 -14.170 1.00 0.00 C ATOM 319 OG SER A 20 -3.906 34.555 -15.064 1.00 0.00 O ATOM 0 H SER A 20 -4.537 35.842 -13.305 1.00 0.00 H new ATOM 0 HA SER A 20 -4.241 33.221 -12.017 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.516 32.601 -14.434 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.180 33.115 -14.245 1.00 0.00 H new ATOM 0 HG SER A 20 -4.094 34.278 -15.985 1.00 0.00 H new ATOM 325 N ASP A 21 -1.840 34.953 -11.785 1.00 0.00 N ATOM 326 CA ASP A 21 -0.397 34.949 -11.457 1.00 0.00 C ATOM 327 C ASP A 21 -0.116 34.203 -10.116 1.00 0.00 C ATOM 328 O ASP A 21 -0.824 34.313 -9.086 1.00 0.00 O ATOM 329 CB ASP A 21 0.203 36.407 -11.350 1.00 0.00 C ATOM 330 CG ASP A 21 0.369 37.092 -12.741 1.00 0.00 C ATOM 331 OD1 ASP A 21 0.558 36.353 -13.736 1.00 0.00 O ATOM 332 OD2 ASP A 21 0.559 38.314 -12.726 1.00 0.00 O ATOM 0 H ASP A 21 -2.364 35.752 -11.428 1.00 0.00 H new ATOM 0 HA ASP A 21 0.088 34.427 -12.281 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.447 37.018 -10.724 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.172 36.361 -10.854 1.00 0.00 H new ATOM 337 N THR A 22 0.993 33.430 -10.140 1.00 0.00 N ATOM 338 CA THR A 22 1.545 32.756 -8.924 1.00 0.00 C ATOM 339 C THR A 22 2.186 33.700 -7.858 1.00 0.00 C ATOM 340 O THR A 22 2.692 34.783 -8.110 1.00 0.00 O ATOM 341 CB THR A 22 2.507 31.621 -9.164 1.00 0.00 C ATOM 342 OG1 THR A 22 3.509 32.036 -10.031 1.00 0.00 O ATOM 343 CG2 THR A 22 1.784 30.501 -9.939 1.00 0.00 C ATOM 0 H THR A 22 1.531 33.252 -10.988 1.00 0.00 H new ATOM 0 HA THR A 22 0.617 32.344 -8.529 1.00 0.00 H new ATOM 0 HB THR A 22 2.892 31.296 -8.198 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.135 31.298 -10.185 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.475 29.677 -10.116 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.935 30.144 -9.356 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.430 30.889 -10.894 1.00 0.00 H new ATOM 351 N ILE A 23 2.205 33.261 -6.576 1.00 0.00 N ATOM 352 CA ILE A 23 2.918 34.023 -5.485 1.00 0.00 C ATOM 353 C ILE A 23 4.460 34.116 -5.697 1.00 0.00 C ATOM 354 O ILE A 23 5.064 35.184 -5.434 1.00 0.00 O ATOM 355 CB ILE A 23 2.588 33.511 -4.073 1.00 0.00 C ATOM 356 CG1 ILE A 23 1.038 33.406 -3.868 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.267 34.431 -2.956 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.291 34.751 -3.878 1.00 0.00 C ATOM 0 H ILE A 23 1.750 32.404 -6.262 1.00 0.00 H new ATOM 0 HA ILE A 23 2.525 35.037 -5.563 1.00 0.00 H new ATOM 0 HB ILE A 23 3.004 32.509 -3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.625 32.771 -4.652 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.845 32.907 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.018 34.047 -1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.349 34.423 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.898 35.452 -3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.775 34.576 -3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.671 35.384 -3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.447 35.247 -4.836 1.00 0.00 H new ATOM 370 N GLU A 24 5.063 33.058 -6.347 1.00 0.00 N ATOM 371 CA GLU A 24 6.412 33.087 -6.959 1.00 0.00 C ATOM 372 C GLU A 24 6.626 34.293 -7.888 1.00 0.00 C ATOM 373 O GLU A 24 7.531 35.140 -7.746 1.00 0.00 O ATOM 374 CB GLU A 24 6.462 31.740 -7.816 1.00 0.00 C ATOM 375 CG GLU A 24 7.719 31.602 -8.755 1.00 0.00 C ATOM 376 CD GLU A 24 8.062 30.204 -9.312 1.00 0.00 C ATOM 377 OE1 GLU A 24 7.781 29.909 -10.486 1.00 0.00 O ATOM 378 OE2 GLU A 24 8.731 29.516 -8.548 1.00 0.00 O ATOM 0 H GLU A 24 4.603 32.154 -6.452 1.00 0.00 H new ATOM 0 HA GLU A 24 7.187 33.169 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.441 30.890 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.561 31.681 -8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.577 32.273 -9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.587 31.964 -8.204 1.00 0.00 H new ATOM 385 N ASN A 25 5.725 34.424 -8.801 1.00 0.00 N ATOM 386 CA ASN A 25 5.682 35.627 -9.669 1.00 0.00 C ATOM 387 C ASN A 25 5.525 36.981 -8.856 1.00 0.00 C ATOM 388 O ASN A 25 6.287 37.945 -9.037 1.00 0.00 O ATOM 389 CB ASN A 25 4.675 35.260 -10.777 1.00 0.00 C ATOM 390 CG ASN A 25 4.375 36.375 -11.787 1.00 0.00 C ATOM 391 OD1 ASN A 25 4.983 37.455 -11.812 1.00 0.00 O ATOM 392 ND2 ASN A 25 3.516 36.047 -12.681 1.00 0.00 N ATOM 0 H ASN A 25 4.997 33.735 -8.991 1.00 0.00 H new ATOM 0 HA ASN A 25 6.621 35.881 -10.160 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.056 34.394 -11.319 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.739 34.956 -10.308 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.311 36.685 -13.450 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.038 35.148 -12.623 1.00 0.00 H new ATOM 399 N VAL A 26 4.638 37.017 -7.885 1.00 0.00 N ATOM 400 CA VAL A 26 4.278 38.247 -7.083 1.00 0.00 C ATOM 401 C VAL A 26 5.486 38.805 -6.354 1.00 0.00 C ATOM 402 O VAL A 26 5.794 39.995 -6.482 1.00 0.00 O ATOM 403 CB VAL A 26 3.118 37.902 -6.101 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.042 38.864 -4.865 1.00 0.00 C ATOM 405 CG2 VAL A 26 1.755 37.865 -6.888 1.00 0.00 C ATOM 0 H VAL A 26 4.115 36.190 -7.597 1.00 0.00 H new ATOM 0 HA VAL A 26 3.938 39.029 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 26 3.325 36.916 -5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.213 38.567 -4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.974 38.808 -4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.886 39.887 -5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.944 37.624 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.569 38.839 -7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.806 37.106 -7.669 1.00 0.00 H new ATOM 415 N LYS A 27 6.234 37.836 -5.789 1.00 0.00 N ATOM 416 CA LYS A 27 7.592 38.037 -5.329 1.00 0.00 C ATOM 417 C LYS A 27 8.621 38.472 -6.357 1.00 0.00 C ATOM 418 O LYS A 27 9.499 39.252 -6.016 1.00 0.00 O ATOM 419 CB LYS A 27 8.098 36.751 -4.656 1.00 0.00 C ATOM 420 CG LYS A 27 7.633 36.788 -3.159 1.00 0.00 C ATOM 421 CD LYS A 27 7.694 35.384 -2.500 1.00 0.00 C ATOM 422 CE LYS A 27 9.063 34.697 -2.651 1.00 0.00 C ATOM 423 NZ LYS A 27 9.109 33.585 -1.659 1.00 0.00 N ATOM 0 H LYS A 27 5.893 36.886 -5.645 1.00 0.00 H new ATOM 0 HA LYS A 27 7.507 38.882 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.698 35.871 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.184 36.687 -4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.263 37.479 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.614 37.171 -3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.458 35.478 -1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.926 34.749 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.192 34.315 -3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.871 35.406 -2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.904 32.953 -1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.236 33.977 -0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.219 33.048 -1.698 1.00 0.00 H new ATOM 437 N ALA A 28 8.532 38.003 -7.602 1.00 0.00 N ATOM 438 CA ALA A 28 9.390 38.439 -8.691 1.00 0.00 C ATOM 439 C ALA A 28 8.976 39.897 -9.112 1.00 0.00 C ATOM 440 O ALA A 28 9.876 40.661 -9.473 1.00 0.00 O ATOM 441 CB ALA A 28 9.307 37.372 -9.857 1.00 0.00 C ATOM 0 H ALA A 28 7.849 37.298 -7.881 1.00 0.00 H new ATOM 0 HA ALA A 28 10.438 38.494 -8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.946 37.685 -10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.641 36.402 -9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.277 37.293 -10.205 1.00 0.00 H new ATOM 447 N LYS A 29 7.660 40.273 -8.960 1.00 0.00 N ATOM 448 CA LYS A 29 7.228 41.673 -9.219 1.00 0.00 C ATOM 449 C LYS A 29 7.786 42.663 -8.151 1.00 0.00 C ATOM 450 O LYS A 29 7.977 43.848 -8.452 1.00 0.00 O ATOM 451 CB LYS A 29 5.701 41.743 -9.453 1.00 0.00 C ATOM 452 CG LYS A 29 5.193 41.117 -10.785 1.00 0.00 C ATOM 453 CD LYS A 29 5.544 42.011 -12.027 1.00 0.00 C ATOM 454 CE LYS A 29 4.443 42.982 -12.446 1.00 0.00 C ATOM 455 NZ LYS A 29 3.487 42.391 -13.418 1.00 0.00 N ATOM 0 H LYS A 29 6.912 39.643 -8.669 1.00 0.00 H new ATOM 0 HA LYS A 29 7.675 42.017 -10.152 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.202 41.242 -8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.395 42.789 -9.424 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.635 40.129 -10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.113 40.978 -10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.446 42.580 -11.804 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.777 41.361 -12.871 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.897 43.308 -11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.897 43.870 -12.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.519 42.683 -13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.717 42.722 -14.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.555 41.354 -13.385 1.00 0.00 H new ATOM 469 N ILE A 30 8.014 42.280 -6.880 1.00 0.00 N ATOM 470 CA ILE A 30 8.453 43.279 -5.892 1.00 0.00 C ATOM 471 C ILE A 30 9.983 43.278 -5.889 1.00 0.00 C ATOM 472 O ILE A 30 10.607 44.247 -5.500 1.00 0.00 O ATOM 473 CB ILE A 30 7.699 43.037 -4.549 1.00 0.00 C ATOM 474 CG1 ILE A 30 8.049 44.138 -3.549 1.00 0.00 C ATOM 475 CG2 ILE A 30 8.066 41.564 -4.118 1.00 0.00 C ATOM 476 CD1 ILE A 30 7.002 44.085 -2.377 1.00 0.00 C ATOM 0 H ILE A 30 7.907 41.330 -6.526 1.00 0.00 H new ATOM 0 HA ILE A 30 8.184 44.308 -6.129 1.00 0.00 H new ATOM 0 HB ILE A 30 6.614 43.103 -4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.059 43.995 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.028 45.114 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.569 41.325 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.738 40.867 -4.889 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.145 41.481 -3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.231 44.863 -1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.001 44.245 -2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.047 43.110 -1.892 1.00 0.00 H new ATOM 488 N GLN A 31 10.592 42.196 -6.480 1.00 0.00 N ATOM 489 CA GLN A 31 11.965 42.163 -6.909 1.00 0.00 C ATOM 490 C GLN A 31 12.252 43.165 -8.046 1.00 0.00 C ATOM 491 O GLN A 31 13.208 43.938 -7.911 1.00 0.00 O ATOM 492 CB GLN A 31 12.445 40.689 -7.137 1.00 0.00 C ATOM 493 CG GLN A 31 13.868 40.628 -7.805 1.00 0.00 C ATOM 494 CD GLN A 31 14.194 39.175 -8.050 1.00 0.00 C ATOM 495 OE1 GLN A 31 15.100 38.651 -7.379 1.00 0.00 O ATOM 496 NE2 GLN A 31 13.645 38.563 -9.086 1.00 0.00 N ATOM 0 H GLN A 31 10.098 41.321 -6.659 1.00 0.00 H new ATOM 0 HA GLN A 31 12.601 42.532 -6.104 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.470 40.164 -6.182 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.726 40.167 -7.768 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.876 41.186 -8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.616 41.084 -7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.903 39.022 -9.615 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.963 37.632 -9.356 1.00 0.00 H new ATOM 505 N ASP A 32 11.344 43.208 -9.063 1.00 0.00 N ATOM 506 CA ASP A 32 11.375 44.184 -10.151 1.00 0.00 C ATOM 507 C ASP A 32 11.328 45.602 -9.611 1.00 0.00 C ATOM 508 O ASP A 32 12.098 46.456 -9.996 1.00 0.00 O ATOM 509 CB ASP A 32 10.115 43.977 -11.070 1.00 0.00 C ATOM 510 CG ASP A 32 10.266 42.771 -12.054 1.00 0.00 C ATOM 511 OD1 ASP A 32 11.404 42.313 -12.253 1.00 0.00 O ATOM 512 OD2 ASP A 32 9.251 42.380 -12.669 1.00 0.00 O ATOM 0 H ASP A 32 10.568 42.550 -9.135 1.00 0.00 H new ATOM 0 HA ASP A 32 12.299 44.038 -10.710 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.237 43.819 -10.443 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.938 44.887 -11.644 1.00 0.00 H new ATOM 517 N LYS A 33 10.369 45.924 -8.757 1.00 0.00 N ATOM 518 CA LYS A 33 10.247 47.230 -8.053 1.00 0.00 C ATOM 519 C LYS A 33 11.425 47.612 -7.140 1.00 0.00 C ATOM 520 O LYS A 33 11.957 48.710 -7.296 1.00 0.00 O ATOM 521 CB LYS A 33 9.001 47.198 -7.167 1.00 0.00 C ATOM 522 CG LYS A 33 7.664 47.158 -8.001 1.00 0.00 C ATOM 523 CD LYS A 33 7.134 48.586 -8.514 1.00 0.00 C ATOM 524 CE LYS A 33 5.820 48.287 -9.274 1.00 0.00 C ATOM 525 NZ LYS A 33 4.968 49.501 -9.374 1.00 0.00 N ATOM 0 H LYS A 33 9.620 45.275 -8.514 1.00 0.00 H new ATOM 0 HA LYS A 33 10.210 47.971 -8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.045 46.325 -6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.996 48.076 -6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.813 46.512 -8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.887 46.698 -7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.959 49.264 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.865 49.065 -9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.051 47.918 -10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.272 47.496 -8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.155 49.409 -8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.525 50.339 -9.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.627 49.606 -10.351 1.00 0.00 H new ATOM 539 N GLU A 34 11.775 46.752 -6.180 1.00 0.00 N ATOM 540 CA GLU A 34 12.571 47.175 -5.017 1.00 0.00 C ATOM 541 C GLU A 34 13.865 46.341 -4.843 1.00 0.00 C ATOM 542 O GLU A 34 14.840 46.772 -4.211 1.00 0.00 O ATOM 543 CB GLU A 34 11.743 46.903 -3.715 1.00 0.00 C ATOM 544 CG GLU A 34 10.672 47.982 -3.436 1.00 0.00 C ATOM 545 CD GLU A 34 11.442 49.296 -3.189 1.00 0.00 C ATOM 546 OE1 GLU A 34 12.208 49.335 -2.235 1.00 0.00 O ATOM 547 OE2 GLU A 34 11.409 50.136 -4.069 1.00 0.00 O ATOM 0 H GLU A 34 11.523 45.764 -6.181 1.00 0.00 H new ATOM 0 HA GLU A 34 12.817 48.225 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.257 45.931 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.423 46.847 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.991 48.083 -4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.067 47.716 -2.569 1.00 0.00 H new ATOM 554 N GLY A 35 13.931 45.133 -5.472 1.00 0.00 N ATOM 555 CA GLY A 35 15.130 44.334 -5.387 1.00 0.00 C ATOM 556 C GLY A 35 15.206 43.426 -4.173 1.00 0.00 C ATOM 557 O GLY A 35 16.296 43.297 -3.592 1.00 0.00 O ATOM 0 H GLY A 35 13.176 44.723 -6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.206 43.722 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.993 44.999 -5.380 1.00 0.00 H new ATOM 561 N ILE A 36 14.051 42.968 -3.701 1.00 0.00 N ATOM 562 CA ILE A 36 13.979 42.093 -2.540 1.00 0.00 C ATOM 563 C ILE A 36 14.501 40.702 -2.923 1.00 0.00 C ATOM 564 O ILE A 36 14.379 40.404 -4.115 1.00 0.00 O ATOM 565 CB ILE A 36 12.601 41.896 -1.934 1.00 0.00 C ATOM 566 CG1 ILE A 36 11.487 41.375 -2.886 1.00 0.00 C ATOM 567 CG2 ILE A 36 12.222 43.279 -1.227 1.00 0.00 C ATOM 568 CD1 ILE A 36 11.124 39.871 -2.656 1.00 0.00 C ATOM 0 H ILE A 36 13.144 43.192 -4.111 1.00 0.00 H new ATOM 0 HA ILE A 36 14.582 42.599 -1.786 1.00 0.00 H new ATOM 0 HB ILE A 36 12.658 41.072 -1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.592 41.982 -2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.810 41.509 -3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.235 43.196 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.959 43.508 -0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.213 44.077 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.341 39.575 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.008 39.254 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.770 39.734 -1.634 1.00 0.00 H new ATOM 580 N PRO A 37 15.065 39.926 -2.073 1.00 0.00 N ATOM 581 CA PRO A 37 15.429 38.536 -2.528 1.00 0.00 C ATOM 582 C PRO A 37 14.356 37.451 -2.371 1.00 0.00 C ATOM 583 O PRO A 37 14.319 36.998 -1.273 1.00 0.00 O ATOM 584 CB PRO A 37 16.687 38.309 -1.665 1.00 0.00 C ATOM 585 CG PRO A 37 16.499 39.062 -0.373 1.00 0.00 C ATOM 586 CD PRO A 37 15.707 40.346 -0.803 1.00 0.00 C ATOM 0 HA PRO A 37 15.569 38.460 -3.606 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.831 37.246 -1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.577 38.661 -2.187 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.942 38.473 0.356 1.00 0.00 H new ATOM 0 HG3 PRO A 37 17.455 39.316 0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.970 40.637 -0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 37 16.369 41.200 -0.947 1.00 0.00 H new ATOM 594 N PRO A 38 13.697 36.913 -3.387 1.00 0.00 N ATOM 595 CA PRO A 38 12.607 35.856 -3.271 1.00 0.00 C ATOM 596 C PRO A 38 12.822 34.742 -2.352 1.00 0.00 C ATOM 597 O PRO A 38 11.954 34.540 -1.498 1.00 0.00 O ATOM 598 CB PRO A 38 12.332 35.313 -4.715 1.00 0.00 C ATOM 599 CG PRO A 38 13.136 36.223 -5.638 1.00 0.00 C ATOM 600 CD PRO A 38 13.738 37.376 -4.781 1.00 0.00 C ATOM 0 HA PRO A 38 11.759 36.368 -2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.647 34.274 -4.813 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.269 35.348 -4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.930 35.660 -6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.498 36.627 -6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.760 37.597 -5.088 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.163 38.294 -4.904 1.00 0.00 H new ATOM 608 N ASP A 39 13.926 34.047 -2.486 1.00 0.00 N ATOM 609 CA ASP A 39 14.203 32.908 -1.594 1.00 0.00 C ATOM 610 C ASP A 39 14.269 33.292 -0.067 1.00 0.00 C ATOM 611 O ASP A 39 13.911 32.481 0.781 1.00 0.00 O ATOM 612 CB ASP A 39 15.412 32.056 -2.002 1.00 0.00 C ATOM 613 CG ASP A 39 15.165 31.534 -3.414 1.00 0.00 C ATOM 614 OD1 ASP A 39 16.140 31.114 -3.979 1.00 0.00 O ATOM 615 OD2 ASP A 39 14.028 31.476 -3.857 1.00 0.00 O ATOM 0 H ASP A 39 14.645 34.232 -3.185 1.00 0.00 H new ATOM 0 HA ASP A 39 13.325 32.276 -1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.325 32.650 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.546 31.227 -1.307 1.00 0.00 H new ATOM 620 N GLN A 40 14.717 34.523 0.324 1.00 0.00 N ATOM 621 CA GLN A 40 14.695 34.883 1.762 1.00 0.00 C ATOM 622 C GLN A 40 13.320 35.293 2.299 1.00 0.00 C ATOM 623 O GLN A 40 13.187 35.391 3.521 1.00 0.00 O ATOM 624 CB GLN A 40 15.667 36.064 2.151 1.00 0.00 C ATOM 625 CG GLN A 40 17.025 35.932 1.469 1.00 0.00 C ATOM 626 CD GLN A 40 17.912 37.067 1.982 1.00 0.00 C ATOM 627 OE1 GLN A 40 17.797 37.538 3.135 1.00 0.00 O ATOM 628 NE2 GLN A 40 18.975 37.292 1.286 1.00 0.00 N ATOM 0 H GLN A 40 15.078 35.242 -0.303 1.00 0.00 H new ATOM 0 HA GLN A 40 15.019 33.946 2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.212 37.015 1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.804 36.080 3.232 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.474 34.964 1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.917 35.990 0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 40 19.061 36.904 0.347 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.729 37.858 1.675 1.00 0.00 H new ATOM 637 N GLN A 41 12.333 35.605 1.412 1.00 0.00 N ATOM 638 CA GLN A 41 11.072 36.284 1.840 1.00 0.00 C ATOM 639 C GLN A 41 9.721 35.579 1.501 1.00 0.00 C ATOM 640 O GLN A 41 9.369 35.331 0.367 1.00 0.00 O ATOM 641 CB GLN A 41 11.004 37.745 1.316 1.00 0.00 C ATOM 642 CG GLN A 41 12.410 38.434 1.539 1.00 0.00 C ATOM 643 CD GLN A 41 12.330 39.934 1.571 1.00 0.00 C ATOM 644 OE1 GLN A 41 11.384 40.528 1.054 1.00 0.00 O ATOM 645 NE2 GLN A 41 13.228 40.665 2.217 1.00 0.00 N ATOM 0 H GLN A 41 12.382 35.402 0.414 1.00 0.00 H new ATOM 0 HA GLN A 41 11.157 36.239 2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.743 37.754 0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.225 38.298 1.841 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.838 38.078 2.476 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.089 38.129 0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.028 40.215 2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.118 41.678 2.270 1.00 0.00 H new ATOM 654 N ARG A 42 8.931 35.264 2.563 1.00 0.00 N ATOM 655 CA ARG A 42 7.648 34.585 2.521 1.00 0.00 C ATOM 656 C ARG A 42 6.524 35.637 2.642 1.00 0.00 C ATOM 657 O ARG A 42 6.479 36.442 3.588 1.00 0.00 O ATOM 658 CB ARG A 42 7.655 33.470 3.628 1.00 0.00 C ATOM 659 CG ARG A 42 8.210 33.918 4.970 1.00 0.00 C ATOM 660 CD ARG A 42 8.288 32.721 5.932 1.00 0.00 C ATOM 661 NE ARG A 42 8.889 33.283 7.167 1.00 0.00 N ATOM 662 CZ ARG A 42 8.330 33.251 8.367 1.00 0.00 C ATOM 663 NH1 ARG A 42 7.146 32.765 8.579 1.00 0.00 N ATOM 664 NH2 ARG A 42 8.924 33.779 9.364 1.00 0.00 N ATOM 0 H ARG A 42 9.207 35.499 3.516 1.00 0.00 H new ATOM 0 HA ARG A 42 7.462 34.074 1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.636 33.112 3.772 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.242 32.624 3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.200 34.353 4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.575 34.696 5.394 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.301 32.301 6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.901 31.919 5.521 1.00 0.00 H new ATOM 0 HE ARG A 42 9.803 33.728 7.085 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.604 32.386 7.803 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.757 32.762 9.522 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.832 34.227 9.238 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.492 33.753 10.287 1.00 0.00 H new ATOM 678 N LEU A 43 5.666 35.685 1.619 1.00 0.00 N ATOM 679 CA LEU A 43 4.591 36.695 1.579 1.00 0.00 C ATOM 680 C LEU A 43 3.426 36.291 2.489 1.00 0.00 C ATOM 681 O LEU A 43 2.982 35.144 2.492 1.00 0.00 O ATOM 682 CB LEU A 43 4.056 37.056 0.147 1.00 0.00 C ATOM 683 CG LEU A 43 3.131 38.289 0.081 1.00 0.00 C ATOM 684 CD1 LEU A 43 3.818 39.554 0.682 1.00 0.00 C ATOM 685 CD2 LEU A 43 2.880 38.540 -1.438 1.00 0.00 C ATOM 0 H LEU A 43 5.688 35.052 0.819 1.00 0.00 H new ATOM 0 HA LEU A 43 5.063 37.606 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.909 37.227 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.516 36.196 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 43 2.218 38.110 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.137 40.403 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.071 39.369 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.727 39.775 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.228 39.405 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.830 38.728 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.406 37.663 -1.878 1.00 0.00 H new ATOM 697 N ILE A 44 2.966 37.199 3.389 1.00 0.00 N ATOM 698 CA ILE A 44 1.853 36.963 4.331 1.00 0.00 C ATOM 699 C ILE A 44 0.625 37.684 3.821 1.00 0.00 C ATOM 700 O ILE A 44 0.734 38.829 3.357 1.00 0.00 O ATOM 701 CB ILE A 44 2.217 37.425 5.819 1.00 0.00 C ATOM 702 CG1 ILE A 44 2.966 36.389 6.670 1.00 0.00 C ATOM 703 CG2 ILE A 44 0.939 37.782 6.733 1.00 0.00 C ATOM 704 CD1 ILE A 44 4.344 35.926 6.018 1.00 0.00 C ATOM 0 H ILE A 44 3.370 38.132 3.477 1.00 0.00 H new ATOM 0 HA ILE A 44 1.657 35.892 4.383 1.00 0.00 H new ATOM 0 HB ILE A 44 2.839 38.291 5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.161 36.810 7.657 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.328 35.517 6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.274 38.085 7.725 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.380 38.597 6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.297 36.905 6.819 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.826 35.194 6.666 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.153 35.477 5.043 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.998 36.790 5.898 1.00 0.00 H new ATOM 716 N PHE A 45 -0.543 36.981 4.000 1.00 0.00 N ATOM 717 CA PHE A 45 -1.812 37.660 3.992 1.00 0.00 C ATOM 718 C PHE A 45 -2.656 37.217 5.213 1.00 0.00 C ATOM 719 O PHE A 45 -2.843 36.031 5.485 1.00 0.00 O ATOM 720 CB PHE A 45 -2.700 37.450 2.758 1.00 0.00 C ATOM 721 CG PHE A 45 -4.116 38.094 2.898 1.00 0.00 C ATOM 722 CD1 PHE A 45 -4.281 39.482 3.105 1.00 0.00 C ATOM 723 CD2 PHE A 45 -5.214 37.254 2.858 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.560 40.024 3.238 1.00 0.00 C ATOM 725 CE2 PHE A 45 -6.496 37.772 2.897 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.668 39.165 3.081 1.00 0.00 C ATOM 0 H PHE A 45 -0.595 35.973 4.145 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.528 38.712 4.004 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.202 37.871 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.811 36.381 2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.415 40.125 3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.069 36.186 2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.698 41.073 3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.353 37.123 2.789 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.666 39.578 3.102 1.00 0.00 H new ATOM 736 N ALA A 46 -3.334 38.207 5.818 1.00 0.00 N ATOM 737 CA ALA A 46 -4.141 38.061 7.024 1.00 0.00 C ATOM 738 C ALA A 46 -3.517 37.136 8.094 1.00 0.00 C ATOM 739 O ALA A 46 -4.122 36.242 8.612 1.00 0.00 O ATOM 740 CB ALA A 46 -5.654 37.827 6.714 1.00 0.00 C ATOM 0 H ALA A 46 -3.330 39.163 5.461 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.124 39.030 7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.205 37.725 7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.046 38.675 6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.768 36.917 6.125 1.00 0.00 H new ATOM 746 N GLY A 47 -2.288 37.456 8.497 1.00 0.00 N ATOM 747 CA GLY A 47 -1.493 36.628 9.452 1.00 0.00 C ATOM 748 C GLY A 47 -0.960 35.253 8.968 1.00 0.00 C ATOM 749 O GLY A 47 -0.364 34.532 9.752 1.00 0.00 O ATOM 0 H GLY A 47 -1.800 38.294 8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.637 37.222 9.774 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.110 36.454 10.334 1.00 0.00 H new ATOM 753 N LYS A 48 -1.245 34.856 7.739 1.00 0.00 N ATOM 754 CA LYS A 48 -0.906 33.500 7.239 1.00 0.00 C ATOM 755 C LYS A 48 -0.002 33.632 6.009 1.00 0.00 C ATOM 756 O LYS A 48 -0.390 34.312 5.095 1.00 0.00 O ATOM 757 CB LYS A 48 -2.156 32.688 6.787 1.00 0.00 C ATOM 758 CG LYS A 48 -3.151 32.467 7.965 1.00 0.00 C ATOM 759 CD LYS A 48 -2.791 31.491 9.130 1.00 0.00 C ATOM 760 CE LYS A 48 -3.020 30.007 8.866 1.00 0.00 C ATOM 761 NZ LYS A 48 -2.634 29.295 10.095 1.00 0.00 N ATOM 0 H LYS A 48 -1.714 35.446 7.052 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.424 32.977 8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.661 33.216 5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.840 31.723 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.345 33.443 8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.090 32.121 7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.741 31.635 9.384 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.373 31.776 10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.064 29.814 8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.424 29.668 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.774 28.273 9.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.633 29.483 10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.222 29.625 10.887 1.00 0.00 H new ATOM 775 N GLN A 49 1.163 32.943 6.012 1.00 0.00 N ATOM 776 CA GLN A 49 2.093 32.777 4.830 1.00 0.00 C ATOM 777 C GLN A 49 1.398 32.056 3.628 1.00 0.00 C ATOM 778 O GLN A 49 0.785 30.999 3.765 1.00 0.00 O ATOM 779 CB GLN A 49 3.475 32.073 5.219 1.00 0.00 C ATOM 780 CG GLN A 49 3.346 30.753 6.098 1.00 0.00 C ATOM 781 CD GLN A 49 4.486 30.450 7.065 1.00 0.00 C ATOM 782 OE1 GLN A 49 5.662 30.711 6.798 1.00 0.00 O ATOM 783 NE2 GLN A 49 4.143 29.808 8.217 1.00 0.00 N ATOM 0 H GLN A 49 1.506 32.469 6.848 1.00 0.00 H new ATOM 0 HA GLN A 49 2.341 33.787 4.503 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.009 31.827 4.301 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.089 32.792 5.762 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.422 30.818 6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.241 29.905 5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.163 29.604 8.415 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.866 29.532 8.882 1.00 0.00 H new ATOM 792 N LEU A 50 1.575 32.634 2.417 1.00 0.00 N ATOM 793 CA LEU A 50 0.979 32.098 1.133 1.00 0.00 C ATOM 794 C LEU A 50 2.094 31.386 0.285 1.00 0.00 C ATOM 795 O LEU A 50 3.052 32.060 -0.036 1.00 0.00 O ATOM 796 CB LEU A 50 0.275 33.160 0.233 1.00 0.00 C ATOM 797 CG LEU A 50 -0.606 34.261 0.919 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.245 35.219 -0.195 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.713 33.524 1.719 1.00 0.00 C ATOM 0 H LEU A 50 2.128 33.480 2.284 1.00 0.00 H new ATOM 0 HA LEU A 50 0.202 31.404 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.047 33.667 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.356 32.626 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.012 34.886 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.856 35.982 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.448 35.699 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.867 34.629 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.352 34.255 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.313 32.920 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.253 32.878 2.467 1.00 0.00 H new ATOM 811 N GLU A 51 1.902 30.100 -0.036 1.00 0.00 N ATOM 812 CA GLU A 51 2.914 29.306 -0.800 1.00 0.00 C ATOM 813 C GLU A 51 3.200 29.837 -2.159 1.00 0.00 C ATOM 814 O GLU A 51 2.312 30.340 -2.848 1.00 0.00 O ATOM 815 CB GLU A 51 2.611 27.735 -0.922 1.00 0.00 C ATOM 816 CG GLU A 51 2.649 27.146 0.445 1.00 0.00 C ATOM 817 CD GLU A 51 2.793 25.600 0.399 1.00 0.00 C ATOM 818 OE1 GLU A 51 3.457 25.019 1.311 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.042 25.013 -0.373 1.00 0.00 O ATOM 0 H GLU A 51 1.064 29.575 0.213 1.00 0.00 H new ATOM 0 HA GLU A 51 3.796 29.426 -0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.636 27.571 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.349 27.254 -1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.483 27.573 1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.738 27.411 0.981 1.00 0.00 H new ATOM 826 N ASP A 52 4.486 29.783 -2.548 1.00 0.00 N ATOM 827 CA ASP A 52 4.920 30.421 -3.765 1.00 0.00 C ATOM 828 C ASP A 52 4.215 29.856 -5.038 1.00 0.00 C ATOM 829 O ASP A 52 3.846 30.566 -5.994 1.00 0.00 O ATOM 830 CB ASP A 52 6.433 30.249 -3.951 1.00 0.00 C ATOM 831 CG ASP A 52 7.231 30.913 -2.819 1.00 0.00 C ATOM 832 OD1 ASP A 52 8.272 30.364 -2.507 1.00 0.00 O ATOM 833 OD2 ASP A 52 6.837 32.001 -2.387 1.00 0.00 O ATOM 0 H ASP A 52 5.223 29.304 -2.031 1.00 0.00 H new ATOM 0 HA ASP A 52 4.652 31.472 -3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.675 29.187 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.732 30.680 -4.907 1.00 0.00 H new ATOM 838 N GLY A 53 4.051 28.496 -5.002 1.00 0.00 N ATOM 839 CA GLY A 53 3.485 27.714 -6.085 1.00 0.00 C ATOM 840 C GLY A 53 2.060 27.984 -6.546 1.00 0.00 C ATOM 841 O GLY A 53 1.713 27.591 -7.657 1.00 0.00 O ATOM 0 H GLY A 53 4.321 27.931 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.136 27.838 -6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.539 26.665 -5.792 1.00 0.00 H new ATOM 845 N ARG A 54 1.249 28.543 -5.642 1.00 0.00 N ATOM 846 CA ARG A 54 -0.202 28.690 -5.779 1.00 0.00 C ATOM 847 C ARG A 54 -0.625 30.082 -6.333 1.00 0.00 C ATOM 848 O ARG A 54 0.108 31.068 -6.154 1.00 0.00 O ATOM 849 CB ARG A 54 -0.870 28.252 -4.436 1.00 0.00 C ATOM 850 CG ARG A 54 -0.663 26.742 -4.143 1.00 0.00 C ATOM 851 CD ARG A 54 -1.348 26.321 -2.803 1.00 0.00 C ATOM 852 NE ARG A 54 -2.822 26.591 -2.771 1.00 0.00 N ATOM 853 CZ ARG A 54 -3.666 26.398 -1.733 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.298 26.114 -0.490 1.00 0.00 N ATOM 855 NH2 ARG A 54 -4.914 26.728 -1.965 1.00 0.00 N ATOM 0 H ARG A 54 1.600 28.920 -4.761 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.580 28.023 -6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.455 28.839 -3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.937 28.470 -4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.071 26.152 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.404 26.523 -4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.178 25.257 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.872 26.852 -1.979 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.234 26.961 -3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.309 26.026 -0.259 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.005 25.984 0.234 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.182 27.099 -2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.616 26.614 -1.234 1.00 0.00 H new ATOM 869 N THR A 55 -1.768 30.110 -7.065 1.00 0.00 N ATOM 870 CA THR A 55 -2.202 31.401 -7.602 1.00 0.00 C ATOM 871 C THR A 55 -2.876 32.313 -6.541 1.00 0.00 C ATOM 872 O THR A 55 -3.193 31.903 -5.418 1.00 0.00 O ATOM 873 CB THR A 55 -3.074 31.408 -8.877 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.429 31.121 -8.615 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.487 30.373 -9.934 1.00 0.00 C ATOM 0 H THR A 55 -2.362 29.309 -7.280 1.00 0.00 H new ATOM 0 HA THR A 55 -1.236 31.800 -7.911 1.00 0.00 H new ATOM 0 HB THR A 55 -3.041 32.418 -9.285 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.952 31.949 -8.654 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.105 30.381 -10.832 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.467 30.656 -10.193 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.487 29.372 -9.502 1.00 0.00 H new ATOM 883 N LEU A 56 -3.039 33.578 -6.941 1.00 0.00 N ATOM 884 CA LEU A 56 -3.781 34.637 -6.198 1.00 0.00 C ATOM 885 C LEU A 56 -5.254 34.278 -6.048 1.00 0.00 C ATOM 886 O LEU A 56 -5.768 34.382 -4.966 1.00 0.00 O ATOM 887 CB LEU A 56 -3.733 35.967 -6.991 1.00 0.00 C ATOM 888 CG LEU A 56 -2.360 36.693 -7.003 1.00 0.00 C ATOM 889 CD1 LEU A 56 -2.480 37.858 -8.005 1.00 0.00 C ATOM 890 CD2 LEU A 56 -2.043 37.270 -5.658 1.00 0.00 C ATOM 0 H LEU A 56 -2.650 33.919 -7.820 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.310 34.731 -5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.026 35.765 -8.021 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.478 36.645 -6.574 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.574 35.987 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.535 38.400 -8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.718 37.465 -8.993 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.272 38.534 -7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.076 37.772 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.814 37.988 -5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.007 36.470 -4.918 1.00 0.00 H new ATOM 902 N SER A 57 -5.790 33.826 -7.157 1.00 0.00 N ATOM 903 CA SER A 57 -7.182 33.295 -7.351 1.00 0.00 C ATOM 904 C SER A 57 -7.377 32.006 -6.586 1.00 0.00 C ATOM 905 O SER A 57 -8.414 31.839 -5.937 1.00 0.00 O ATOM 906 CB SER A 57 -7.543 33.184 -8.839 1.00 0.00 C ATOM 907 OG SER A 57 -8.933 32.788 -8.915 1.00 0.00 O ATOM 0 H SER A 57 -5.256 33.804 -8.026 1.00 0.00 H new ATOM 0 HA SER A 57 -7.888 34.012 -6.932 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.386 34.137 -9.345 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.907 32.451 -9.335 1.00 0.00 H new ATOM 0 HG SER A 57 -9.200 32.709 -9.855 1.00 0.00 H new ATOM 913 N ASP A 58 -6.396 31.078 -6.577 1.00 0.00 N ATOM 914 CA ASP A 58 -6.469 29.919 -5.698 1.00 0.00 C ATOM 915 C ASP A 58 -6.588 30.315 -4.206 1.00 0.00 C ATOM 916 O ASP A 58 -7.406 29.762 -3.511 1.00 0.00 O ATOM 917 CB ASP A 58 -5.182 29.131 -5.870 1.00 0.00 C ATOM 918 CG ASP A 58 -5.151 27.770 -5.142 1.00 0.00 C ATOM 919 OD1 ASP A 58 -4.113 27.166 -5.259 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.068 27.375 -4.444 1.00 0.00 O ATOM 0 H ASP A 58 -5.562 31.118 -7.163 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.355 29.344 -5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.016 28.961 -6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.351 29.738 -5.511 1.00 0.00 H new ATOM 925 N TYR A 59 -5.778 31.304 -3.730 1.00 0.00 N ATOM 926 CA TYR A 59 -5.737 31.780 -2.351 1.00 0.00 C ATOM 927 C TYR A 59 -6.862 32.806 -1.986 1.00 0.00 C ATOM 928 O TYR A 59 -7.122 33.033 -0.812 1.00 0.00 O ATOM 929 CB TYR A 59 -4.305 32.305 -2.041 1.00 0.00 C ATOM 930 CG TYR A 59 -3.365 31.200 -1.657 1.00 0.00 C ATOM 931 CD1 TYR A 59 -2.094 31.089 -2.152 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.706 30.441 -0.543 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.160 30.230 -1.553 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.819 29.554 0.055 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.502 29.451 -0.432 1.00 0.00 C ATOM 936 OH TYR A 59 -0.528 28.588 0.103 1.00 0.00 O ATOM 0 H TYR A 59 -5.119 31.797 -4.333 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.957 30.934 -1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.914 32.825 -2.916 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.355 33.034 -1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.806 31.670 -3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.697 30.545 -0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.161 30.166 -1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.138 28.947 0.889 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.901 28.113 0.875 1.00 0.00 H new ATOM 946 N ASN A 60 -7.633 33.245 -3.001 1.00 0.00 N ATOM 947 CA ASN A 60 -8.805 34.128 -2.875 1.00 0.00 C ATOM 948 C ASN A 60 -8.426 35.565 -2.443 1.00 0.00 C ATOM 949 O ASN A 60 -9.138 36.209 -1.648 1.00 0.00 O ATOM 950 CB ASN A 60 -9.929 33.546 -1.985 1.00 0.00 C ATOM 951 CG ASN A 60 -10.508 32.227 -2.373 1.00 0.00 C ATOM 952 OD1 ASN A 60 -11.774 32.177 -2.421 1.00 0.00 O ATOM 953 ND2 ASN A 60 -9.762 31.212 -2.641 1.00 0.00 N ATOM 0 H ASN A 60 -7.447 32.982 -3.969 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.217 34.190 -3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.541 33.456 -0.970 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.741 34.272 -1.953 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.186 30.323 -2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.747 31.297 -2.590 1.00 0.00 H new ATOM 960 N ILE A 61 -7.256 36.047 -2.970 1.00 0.00 N ATOM 961 CA ILE A 61 -6.788 37.413 -2.812 1.00 0.00 C ATOM 962 C ILE A 61 -7.404 38.303 -3.874 1.00 0.00 C ATOM 963 O ILE A 61 -7.339 37.988 -5.054 1.00 0.00 O ATOM 964 CB ILE A 61 -5.244 37.453 -3.001 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.559 36.446 -1.994 1.00 0.00 C ATOM 966 CG2 ILE A 61 -4.624 38.885 -2.940 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.773 36.796 -0.501 1.00 0.00 C ATOM 0 H ILE A 61 -6.622 35.467 -3.520 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.070 37.763 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.037 37.128 -4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.947 35.444 -2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.489 36.417 -2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.545 38.821 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.057 39.503 -3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.837 39.333 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.271 36.056 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.359 37.783 -0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.840 36.796 -0.276 1.00 0.00 H new ATOM 979 N GLN A 62 -7.935 39.462 -3.389 1.00 0.00 N ATOM 980 CA GLN A 62 -8.513 40.504 -4.164 1.00 0.00 C ATOM 981 C GLN A 62 -7.629 41.755 -4.112 1.00 0.00 C ATOM 982 O GLN A 62 -6.788 41.924 -3.211 1.00 0.00 O ATOM 983 CB GLN A 62 -9.865 40.910 -3.502 1.00 0.00 C ATOM 984 CG GLN A 62 -10.858 39.741 -3.314 1.00 0.00 C ATOM 985 CD GLN A 62 -11.173 38.980 -4.617 1.00 0.00 C ATOM 986 OE1 GLN A 62 -10.929 39.415 -5.713 1.00 0.00 O ATOM 987 NE2 GLN A 62 -11.812 37.873 -4.528 1.00 0.00 N ATOM 0 H GLN A 62 -7.953 39.667 -2.390 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.632 40.153 -5.189 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.660 41.357 -2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.339 41.679 -4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.448 39.042 -2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.787 40.129 -2.896 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.031 37.483 -3.611 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.101 37.382 -5.374 1.00 0.00 H new ATOM 996 N LYS A 63 -7.880 42.591 -5.170 1.00 0.00 N ATOM 997 CA LYS A 63 -7.250 43.883 -5.403 1.00 0.00 C ATOM 998 C LYS A 63 -7.450 44.863 -4.258 1.00 0.00 C ATOM 999 O LYS A 63 -8.536 44.879 -3.663 1.00 0.00 O ATOM 1000 CB LYS A 63 -7.892 44.519 -6.706 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.394 44.952 -6.541 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.043 45.312 -7.958 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.461 46.620 -8.552 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.362 47.201 -9.559 1.00 0.00 N ATOM 0 H LYS A 63 -8.555 42.351 -5.896 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.179 43.708 -5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.305 45.390 -6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.821 43.798 -7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.959 44.147 -6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.457 45.815 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.871 44.491 -8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.122 45.414 -7.846 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.294 47.341 -7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.491 46.415 -9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.943 48.075 -9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.502 46.521 -10.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.279 47.418 -9.120 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.439 45.750 -4.000 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.501 46.765 -2.955 1.00 0.00 C ATOM 1020 C GLU A 64 -6.264 46.234 -1.546 1.00 0.00 C ATOM 1021 O GLU A 64 -6.229 47.028 -0.594 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.773 47.763 -3.028 1.00 0.00 C ATOM 1023 CG GLU A 64 -7.941 48.462 -4.403 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.231 49.359 -4.349 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.384 50.173 -3.473 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.109 49.100 -5.179 1.00 0.00 O ATOM 0 H GLU A 64 -5.565 45.762 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.641 47.391 -3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.679 47.199 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.671 48.524 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.065 49.070 -4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.027 47.721 -5.197 1.00 0.00 H new ATOM 1033 N SER A 65 -6.022 44.895 -1.463 1.00 0.00 N ATOM 1034 CA SER A 65 -5.632 44.201 -0.266 1.00 0.00 C ATOM 1035 C SER A 65 -4.090 44.337 -0.044 1.00 0.00 C ATOM 1036 O SER A 65 -3.287 44.572 -0.955 1.00 0.00 O ATOM 1037 CB SER A 65 -6.056 42.705 -0.227 1.00 0.00 C ATOM 1038 OG SER A 65 -7.456 42.524 -0.532 1.00 0.00 O ATOM 0 H SER A 65 -6.104 44.276 -2.270 1.00 0.00 H new ATOM 0 HA SER A 65 -6.173 44.681 0.549 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.455 42.141 -0.940 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.846 42.296 0.761 1.00 0.00 H new ATOM 0 HG SER A 65 -7.556 42.273 -1.474 1.00 0.00 H new ATOM 1044 N THR A 66 -3.723 44.347 1.216 1.00 0.00 N ATOM 1045 CA THR A 66 -2.381 44.776 1.694 1.00 0.00 C ATOM 1046 C THR A 66 -1.707 43.500 2.145 1.00 0.00 C ATOM 1047 O THR A 66 -2.299 42.814 2.968 1.00 0.00 O ATOM 1048 CB THR A 66 -2.555 45.743 2.916 1.00 0.00 C ATOM 1049 OG1 THR A 66 -3.408 46.825 2.569 1.00 0.00 O ATOM 1050 CG2 THR A 66 -1.169 46.348 3.379 1.00 0.00 C ATOM 0 H THR A 66 -4.344 44.056 1.971 1.00 0.00 H new ATOM 0 HA THR A 66 -1.807 45.298 0.928 1.00 0.00 H new ATOM 0 HB THR A 66 -2.985 45.157 3.728 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.511 47.421 3.340 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.328 47.013 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.499 45.540 3.672 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.724 46.908 2.557 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.465 43.227 1.673 1.00 0.00 N ATOM 1059 CA LEU A 67 0.278 41.996 2.039 1.00 0.00 C ATOM 1060 C LEU A 67 1.683 42.335 2.577 1.00 0.00 C ATOM 1061 O LEU A 67 2.122 43.441 2.458 1.00 0.00 O ATOM 1062 CB LEU A 67 0.340 40.963 0.848 1.00 0.00 C ATOM 1063 CG LEU A 67 -1.007 40.385 0.276 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -1.803 41.281 -0.673 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -0.710 39.039 -0.432 1.00 0.00 C ATOM 0 H LEU A 67 0.043 43.843 1.038 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.275 41.510 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.871 41.440 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.949 40.120 1.174 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.651 40.281 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.707 40.761 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.076 42.203 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.194 41.519 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.636 38.627 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.003 39.204 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.281 38.338 0.284 1.00 0.00 H new ATOM 1077 N HIS A 68 2.344 41.434 3.353 1.00 0.00 N ATOM 1078 CA HIS A 68 3.534 41.800 4.119 1.00 0.00 C ATOM 1079 C HIS A 68 4.646 40.771 3.917 1.00 0.00 C ATOM 1080 O HIS A 68 4.413 39.611 4.227 1.00 0.00 O ATOM 1081 CB HIS A 68 3.169 41.830 5.626 1.00 0.00 C ATOM 1082 CG HIS A 68 2.386 43.069 6.092 1.00 0.00 C ATOM 1083 ND1 HIS A 68 1.001 43.310 5.876 1.00 0.00 N ATOM 1084 CD2 HIS A 68 2.731 44.064 6.982 1.00 0.00 C ATOM 1085 CE1 HIS A 68 0.644 44.398 6.634 1.00 0.00 C ATOM 1086 NE2 HIS A 68 1.679 44.838 7.298 1.00 0.00 N ATOM 0 H HIS A 68 2.063 40.459 3.455 1.00 0.00 H new ATOM 0 HA HIS A 68 3.881 42.776 3.779 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.581 40.942 5.858 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.089 41.764 6.206 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.726 44.204 7.377 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.346 44.827 6.675 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.687 45.629 7.942 1.00 0.00 H new ATOM 1094 N LEU A 69 5.768 41.174 3.306 1.00 0.00 N ATOM 1095 CA LEU A 69 6.917 40.260 3.253 1.00 0.00 C ATOM 1096 C LEU A 69 7.420 39.871 4.681 1.00 0.00 C ATOM 1097 O LEU A 69 7.411 40.710 5.566 1.00 0.00 O ATOM 1098 CB LEU A 69 7.994 40.851 2.334 1.00 0.00 C ATOM 1099 CG LEU A 69 7.534 40.592 0.832 1.00 0.00 C ATOM 1100 CD1 LEU A 69 8.432 41.479 -0.047 1.00 0.00 C ATOM 1101 CD2 LEU A 69 7.608 39.131 0.336 1.00 0.00 C ATOM 0 H LEU A 69 5.904 42.082 2.861 1.00 0.00 H new ATOM 0 HA LEU A 69 6.614 39.310 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.114 41.918 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.960 40.384 2.525 1.00 0.00 H new ATOM 0 HG LEU A 69 6.472 40.830 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.163 41.344 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.295 42.524 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.475 41.198 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.270 39.081 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.637 38.777 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.969 38.503 0.957 1.00 0.00 H new ATOM 1113 N VAL A 70 7.812 38.599 4.925 1.00 0.00 N ATOM 1114 CA VAL A 70 8.420 38.246 6.230 1.00 0.00 C ATOM 1115 C VAL A 70 9.756 37.484 5.986 1.00 0.00 C ATOM 1116 O VAL A 70 9.822 36.628 5.106 1.00 0.00 O ATOM 1117 CB VAL A 70 7.381 37.445 6.998 1.00 0.00 C ATOM 1118 CG1 VAL A 70 8.045 36.832 8.287 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.208 38.431 7.444 1.00 0.00 C ATOM 0 H VAL A 70 7.724 37.827 4.265 1.00 0.00 H new ATOM 0 HA VAL A 70 8.684 39.119 6.827 1.00 0.00 H new ATOM 0 HB VAL A 70 6.989 36.645 6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.303 36.257 8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.868 36.179 7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.425 37.636 8.918 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.453 37.872 7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.615 39.217 8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.753 38.879 6.560 1.00 0.00 H new