USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 MET CE :methyl -154:sc= -0.851 (180deg=-1.32) USER MOD Single : A 14 LYS NZ :NH3+ 147:sc= 0.268 (180deg=-0.732!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot -130:sc= -0.371 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 41 MET CE :methyl 141:sc= -0.297 (180deg=-1.89!) USER MOD Single : A 44 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.21) USER MOD Single : A 45 GLN :FLIP amide:sc= -1.24 F(o=-1.8!,f=-1.2) USER MOD Single : A 49 HIS : no HE2:sc= -0.396 K(o=-0.4,f=-4.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.01! C(o=-2!,f=-3.7!) USER MOD Single : A 60 GLN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.25 X(o=0.25,f=0) USER MOD Single : A 75 ASN : amide:sc= 0.00479 X(o=0.0048,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -106:sc= 0.0201 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -0.941 -10.053 -9.552 1.00 0.00 N ATOM 60 CA GLY A 7 -1.066 -8.974 -8.589 1.00 0.00 C ATOM 61 C GLY A 7 -1.094 -7.609 -9.247 1.00 0.00 C ATOM 62 O GLY A 7 -1.926 -7.349 -10.116 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.978 -9.113 -8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.233 -9.019 -7.888 1.00 0.00 H new ATOM 66 N ARG A 8 -0.183 -6.735 -8.832 1.00 0.00 N ATOM 67 CA ARG A 8 -0.108 -5.389 -9.385 1.00 0.00 C ATOM 68 C ARG A 8 1.158 -4.678 -8.916 1.00 0.00 C ATOM 69 O ARG A 8 1.257 -4.262 -7.762 1.00 0.00 O ATOM 70 CB ARG A 8 -1.341 -4.579 -8.980 1.00 0.00 C ATOM 71 CG ARG A 8 -1.250 -3.106 -9.346 1.00 0.00 C ATOM 72 CD ARG A 8 -2.410 -2.314 -8.764 1.00 0.00 C ATOM 73 NE ARG A 8 -3.622 -2.450 -9.568 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.790 -1.914 -9.231 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.904 -1.211 -8.113 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.849 -2.081 -10.014 1.00 0.00 N ATOM 0 H ARG A 8 0.514 -6.935 -8.114 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.076 -5.471 -10.471 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.221 -5.010 -9.458 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.487 -4.669 -7.904 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.309 -2.697 -8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.243 -2.999 -10.431 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.609 -2.655 -7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.134 -1.262 -8.699 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.569 -2.985 -10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.093 -1.080 -7.508 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.802 -0.801 -7.858 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.766 -2.621 -10.875 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.745 -1.669 -9.754 1.00 0.00 H new ATOM 90 N MET A 9 2.123 -4.542 -9.819 1.00 0.00 N ATOM 91 CA MET A 9 3.383 -3.881 -9.498 1.00 0.00 C ATOM 92 C MET A 9 3.209 -2.365 -9.470 1.00 0.00 C ATOM 93 O MET A 9 3.028 -1.732 -10.510 1.00 0.00 O ATOM 94 CB MET A 9 4.459 -4.264 -10.515 1.00 0.00 C ATOM 95 CG MET A 9 5.203 -5.541 -10.161 1.00 0.00 C ATOM 96 SD MET A 9 4.323 -7.025 -10.685 1.00 0.00 S ATOM 97 CE MET A 9 4.272 -7.948 -9.150 1.00 0.00 C ATOM 0 H MET A 9 2.057 -4.881 -10.779 1.00 0.00 H new ATOM 0 HA MET A 9 3.696 -4.212 -8.508 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.996 -4.383 -11.494 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.176 -3.447 -10.598 1.00 0.00 H new ATOM 0 HG2 MET A 9 6.188 -5.524 -10.627 1.00 0.00 H new ATOM 0 HG3 MET A 9 5.361 -5.578 -9.083 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.200 -9.013 -9.368 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.180 -7.755 -8.579 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.405 -7.638 -8.567 1.00 0.00 H new ATOM 107 N VAL A 10 3.265 -1.790 -8.273 1.00 0.00 N ATOM 108 CA VAL A 10 3.115 -0.348 -8.110 1.00 0.00 C ATOM 109 C VAL A 10 4.473 0.337 -8.004 1.00 0.00 C ATOM 110 O VAL A 10 5.276 0.016 -7.129 1.00 0.00 O ATOM 111 CB VAL A 10 2.282 -0.009 -6.860 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.109 1.496 -6.726 1.00 0.00 C ATOM 113 CG2 VAL A 10 0.932 -0.707 -6.914 1.00 0.00 C ATOM 0 H VAL A 10 3.413 -2.300 -7.402 1.00 0.00 H new ATOM 0 HA VAL A 10 2.595 0.019 -8.995 1.00 0.00 H new ATOM 0 HB VAL A 10 2.816 -0.369 -5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.518 1.717 -5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.087 1.968 -6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.598 1.883 -7.607 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.357 -0.456 -6.023 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.389 -0.380 -7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.082 -1.786 -6.957 1.00 0.00 H new ATOM 123 N GLY A 11 4.723 1.285 -8.902 1.00 0.00 N ATOM 124 CA GLY A 11 5.985 2.002 -8.893 1.00 0.00 C ATOM 125 C GLY A 11 5.925 3.270 -8.065 1.00 0.00 C ATOM 126 O GLY A 11 5.049 4.112 -8.269 1.00 0.00 O ATOM 0 H GLY A 11 4.074 1.569 -9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.766 1.351 -8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.264 2.253 -9.916 1.00 0.00 H new ATOM 130 N ILE A 12 6.856 3.407 -7.127 1.00 0.00 N ATOM 131 CA ILE A 12 6.904 4.581 -6.265 1.00 0.00 C ATOM 132 C ILE A 12 8.162 5.403 -6.526 1.00 0.00 C ATOM 133 O ILE A 12 9.247 4.853 -6.716 1.00 0.00 O ATOM 134 CB ILE A 12 6.861 4.189 -4.776 1.00 0.00 C ATOM 135 CG1 ILE A 12 5.595 3.384 -4.475 1.00 0.00 C ATOM 136 CG2 ILE A 12 6.927 5.430 -3.899 1.00 0.00 C ATOM 137 CD1 ILE A 12 5.609 1.992 -5.066 1.00 0.00 C ATOM 0 H ILE A 12 7.587 2.719 -6.945 1.00 0.00 H new ATOM 0 HA ILE A 12 6.025 5.181 -6.500 1.00 0.00 H new ATOM 0 HB ILE A 12 7.727 3.565 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.470 3.310 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.730 3.925 -4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.896 5.136 -2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.854 5.967 -4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.078 6.077 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.681 1.480 -4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.703 2.058 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.453 1.434 -4.662 1.00 0.00 H new ATOM 149 N ARG A 13 8.008 6.723 -6.532 1.00 0.00 N ATOM 150 CA ARG A 13 9.132 7.622 -6.769 1.00 0.00 C ATOM 151 C ARG A 13 9.627 8.230 -5.460 1.00 0.00 C ATOM 152 O ARG A 13 9.934 9.420 -5.392 1.00 0.00 O ATOM 153 CB ARG A 13 8.727 8.734 -7.738 1.00 0.00 C ATOM 154 CG ARG A 13 8.886 8.354 -9.201 1.00 0.00 C ATOM 155 CD ARG A 13 7.678 7.586 -9.712 1.00 0.00 C ATOM 156 NE ARG A 13 6.459 8.389 -9.664 1.00 0.00 N ATOM 157 CZ ARG A 13 5.273 7.950 -10.073 1.00 0.00 C ATOM 158 NH1 ARG A 13 5.148 6.723 -10.558 1.00 0.00 N ATOM 159 NH2 ARG A 13 4.210 8.741 -9.998 1.00 0.00 N ATOM 0 H ARG A 13 7.117 7.194 -6.376 1.00 0.00 H new ATOM 0 HA ARG A 13 9.942 7.042 -7.210 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.688 9.005 -7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.329 9.620 -7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.025 9.255 -9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.783 7.747 -9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.860 7.264 -10.737 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.542 6.685 -9.114 1.00 0.00 H new ATOM 0 HE ARG A 13 6.521 9.338 -9.297 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.963 6.113 -10.618 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.237 6.389 -10.871 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.303 9.686 -9.626 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.300 8.404 -10.312 1.00 0.00 H new ATOM 173 N LYS A 14 9.703 7.404 -4.422 1.00 0.00 N ATOM 174 CA LYS A 14 10.162 7.858 -3.114 1.00 0.00 C ATOM 175 C LYS A 14 11.676 8.046 -3.104 1.00 0.00 C ATOM 176 O LYS A 14 12.377 7.572 -3.998 1.00 0.00 O ATOM 177 CB LYS A 14 9.755 6.856 -2.031 1.00 0.00 C ATOM 178 CG LYS A 14 10.665 5.643 -1.952 1.00 0.00 C ATOM 179 CD LYS A 14 10.496 4.904 -0.634 1.00 0.00 C ATOM 180 CE LYS A 14 11.119 5.674 0.520 1.00 0.00 C ATOM 181 NZ LYS A 14 12.537 5.279 0.749 1.00 0.00 N ATOM 0 H LYS A 14 9.453 6.416 -4.461 1.00 0.00 H new ATOM 0 HA LYS A 14 9.692 8.819 -2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.751 7.360 -1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.735 6.523 -2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.446 4.968 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.703 5.958 -2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.436 4.746 -0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.957 3.919 -0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.069 6.743 0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.542 5.498 1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.077 6.102 1.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.576 4.525 1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.949 4.934 -0.141 1.00 0.00 H new ATOM 195 N THR A 15 12.175 8.740 -2.085 1.00 0.00 N ATOM 196 CA THR A 15 13.605 8.990 -1.959 1.00 0.00 C ATOM 197 C THR A 15 14.127 8.524 -0.604 1.00 0.00 C ATOM 198 O THR A 15 13.398 8.530 0.388 1.00 0.00 O ATOM 199 CB THR A 15 13.932 10.485 -2.135 1.00 0.00 C ATOM 200 OG1 THR A 15 15.350 10.676 -2.165 1.00 0.00 O ATOM 201 CG2 THR A 15 13.328 11.308 -1.007 1.00 0.00 C ATOM 0 H THR A 15 11.609 9.139 -1.336 1.00 0.00 H new ATOM 0 HA THR A 15 14.096 8.423 -2.750 1.00 0.00 H new ATOM 0 HB THR A 15 13.501 10.820 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.549 11.629 -2.279 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.572 12.360 -1.153 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.245 11.184 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.733 10.970 -0.053 1.00 0.00 H new ATOM 209 N ALA A 16 15.392 8.120 -0.570 1.00 0.00 N ATOM 210 CA ALA A 16 16.012 7.654 0.664 1.00 0.00 C ATOM 211 C ALA A 16 15.445 8.386 1.875 1.00 0.00 C ATOM 212 O ALA A 16 15.330 9.611 1.874 1.00 0.00 O ATOM 213 CB ALA A 16 17.522 7.832 0.596 1.00 0.00 C ATOM 0 H ALA A 16 16.008 8.106 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 16 15.787 6.593 0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.972 7.480 1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.919 7.257 -0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.758 8.887 0.456 1.00 0.00 H new ATOM 219 N GLY A 17 15.090 7.628 2.907 1.00 0.00 N ATOM 220 CA GLY A 17 14.538 8.223 4.110 1.00 0.00 C ATOM 221 C GLY A 17 13.061 8.537 3.976 1.00 0.00 C ATOM 222 O GLY A 17 12.267 8.204 4.855 1.00 0.00 O ATOM 0 H GLY A 17 15.175 6.612 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.687 7.544 4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.082 9.139 4.341 1.00 0.00 H new ATOM 226 N GLU A 18 12.693 9.183 2.873 1.00 0.00 N ATOM 227 CA GLU A 18 11.302 9.545 2.630 1.00 0.00 C ATOM 228 C GLU A 18 10.360 8.449 3.121 1.00 0.00 C ATOM 229 O GLU A 18 10.482 7.288 2.729 1.00 0.00 O ATOM 230 CB GLU A 18 11.071 9.799 1.138 1.00 0.00 C ATOM 231 CG GLU A 18 9.944 10.777 0.855 1.00 0.00 C ATOM 232 CD GLU A 18 9.970 11.980 1.777 1.00 0.00 C ATOM 233 OE1 GLU A 18 10.664 12.965 1.448 1.00 0.00 O ATOM 234 OE2 GLU A 18 9.296 11.937 2.828 1.00 0.00 O ATOM 0 H GLU A 18 13.338 9.466 2.135 1.00 0.00 H new ATOM 0 HA GLU A 18 11.089 10.459 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.991 10.181 0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.851 8.851 0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.012 11.115 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.988 10.264 0.960 1.00 0.00 H new ATOM 241 N HIS A 19 9.422 8.826 3.983 1.00 0.00 N ATOM 242 CA HIS A 19 8.459 7.876 4.530 1.00 0.00 C ATOM 243 C HIS A 19 7.167 7.884 3.718 1.00 0.00 C ATOM 244 O HIS A 19 6.879 8.843 3.000 1.00 0.00 O ATOM 245 CB HIS A 19 8.158 8.206 5.992 1.00 0.00 C ATOM 246 CG HIS A 19 7.805 7.006 6.816 1.00 0.00 C ATOM 247 ND1 HIS A 19 8.735 6.073 7.223 1.00 0.00 N ATOM 248 CD2 HIS A 19 6.616 6.592 7.312 1.00 0.00 C ATOM 249 CE1 HIS A 19 8.132 5.134 7.931 1.00 0.00 C ATOM 250 NE2 HIS A 19 6.846 5.426 8.001 1.00 0.00 N ATOM 0 H HIS A 19 9.308 9.783 4.318 1.00 0.00 H new ATOM 0 HA HIS A 19 8.897 6.880 4.474 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.027 8.696 6.432 1.00 0.00 H new ATOM 0 HB3 HIS A 19 7.335 8.920 6.033 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.664 7.086 7.189 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.610 4.274 8.377 1.00 0.00 H new ATOM 0 HE2 HIS A 19 6.139 4.875 8.488 1.00 0.00 H new ATOM 259 N LEU A 20 6.393 6.811 3.835 1.00 0.00 N ATOM 260 CA LEU A 20 5.132 6.694 3.112 1.00 0.00 C ATOM 261 C LEU A 20 3.988 7.315 3.907 1.00 0.00 C ATOM 262 O LEU A 20 3.325 8.240 3.441 1.00 0.00 O ATOM 263 CB LEU A 20 4.825 5.225 2.817 1.00 0.00 C ATOM 264 CG LEU A 20 5.526 4.624 1.598 1.00 0.00 C ATOM 265 CD1 LEU A 20 5.045 5.295 0.321 1.00 0.00 C ATOM 266 CD2 LEU A 20 7.036 4.752 1.735 1.00 0.00 C ATOM 0 H LEU A 20 6.617 6.009 4.424 1.00 0.00 H new ATOM 0 HA LEU A 20 5.230 7.234 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.094 4.635 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.749 5.120 2.681 1.00 0.00 H new ATOM 0 HG LEU A 20 5.275 3.565 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.555 4.854 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.970 5.151 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.265 6.362 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.519 4.319 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.306 5.805 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.366 4.224 2.629 1.00 0.00 H new ATOM 278 N GLY A 21 3.764 6.799 5.112 1.00 0.00 N ATOM 279 CA GLY A 21 2.701 7.317 5.954 1.00 0.00 C ATOM 280 C GLY A 21 1.456 6.453 5.913 1.00 0.00 C ATOM 281 O GLY A 21 0.370 6.933 5.590 1.00 0.00 O ATOM 0 H GLY A 21 4.299 6.032 5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.057 7.387 6.982 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.449 8.328 5.634 1.00 0.00 H new ATOM 285 N VAL A 22 1.614 5.174 6.240 1.00 0.00 N ATOM 286 CA VAL A 22 0.494 4.241 6.239 1.00 0.00 C ATOM 287 C VAL A 22 0.626 3.222 7.365 1.00 0.00 C ATOM 288 O VAL A 22 1.706 3.040 7.930 1.00 0.00 O ATOM 289 CB VAL A 22 0.387 3.494 4.896 1.00 0.00 C ATOM 290 CG1 VAL A 22 0.031 4.459 3.775 1.00 0.00 C ATOM 291 CG2 VAL A 22 1.686 2.764 4.589 1.00 0.00 C ATOM 0 H VAL A 22 2.507 4.761 6.509 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.409 4.831 6.391 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.410 2.755 4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.040 3.913 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.926 4.933 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.804 5.223 3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.593 2.241 3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.503 3.484 4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.894 2.043 5.380 1.00 0.00 H new ATOM 301 N THR A 23 -0.480 2.559 7.689 1.00 0.00 N ATOM 302 CA THR A 23 -0.488 1.558 8.749 1.00 0.00 C ATOM 303 C THR A 23 -1.024 0.225 8.241 1.00 0.00 C ATOM 304 O THR A 23 -2.163 0.136 7.781 1.00 0.00 O ATOM 305 CB THR A 23 -1.339 2.018 9.948 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.572 2.580 9.487 1.00 0.00 O ATOM 307 CG2 THR A 23 -0.588 3.044 10.782 1.00 0.00 C ATOM 0 H THR A 23 -1.382 2.697 7.233 1.00 0.00 H new ATOM 0 HA THR A 23 0.545 1.431 9.073 1.00 0.00 H new ATOM 0 HB THR A 23 -1.548 1.149 10.572 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.715 3.450 9.914 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.209 3.354 11.623 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.336 2.603 11.156 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.352 3.912 10.166 1.00 0.00 H new ATOM 315 N PHE A 24 -0.197 -0.812 8.329 1.00 0.00 N ATOM 316 CA PHE A 24 -0.588 -2.142 7.877 1.00 0.00 C ATOM 317 C PHE A 24 -1.034 -3.006 9.054 1.00 0.00 C ATOM 318 O PHE A 24 -0.545 -2.851 10.172 1.00 0.00 O ATOM 319 CB PHE A 24 0.573 -2.818 7.145 1.00 0.00 C ATOM 320 CG PHE A 24 1.123 -2.001 6.012 1.00 0.00 C ATOM 321 CD1 PHE A 24 0.521 -2.029 4.764 1.00 0.00 C ATOM 322 CD2 PHE A 24 2.242 -1.204 6.194 1.00 0.00 C ATOM 323 CE1 PHE A 24 1.026 -1.279 3.719 1.00 0.00 C ATOM 324 CE2 PHE A 24 2.751 -0.451 5.152 1.00 0.00 C ATOM 325 CZ PHE A 24 2.142 -0.488 3.913 1.00 0.00 C ATOM 0 H PHE A 24 0.748 -0.757 8.709 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.427 -2.033 7.189 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.372 -3.021 7.858 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.238 -3.781 6.759 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.353 -2.644 4.606 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.722 -1.171 7.161 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.548 -1.311 2.751 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.624 0.166 5.307 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.537 0.100 3.098 1.00 0.00 H new ATOM 335 N ARG A 25 -1.967 -3.916 8.792 1.00 0.00 N ATOM 336 CA ARG A 25 -2.480 -4.804 9.828 1.00 0.00 C ATOM 337 C ARG A 25 -2.360 -6.264 9.402 1.00 0.00 C ATOM 338 O ARG A 25 -2.372 -6.577 8.212 1.00 0.00 O ATOM 339 CB ARG A 25 -3.941 -4.470 10.137 1.00 0.00 C ATOM 340 CG ARG A 25 -4.898 -4.822 9.010 1.00 0.00 C ATOM 341 CD ARG A 25 -6.320 -4.392 9.332 1.00 0.00 C ATOM 342 NE ARG A 25 -7.289 -4.964 8.400 1.00 0.00 N ATOM 343 CZ ARG A 25 -8.583 -5.093 8.673 1.00 0.00 C ATOM 344 NH1 ARG A 25 -9.060 -4.694 9.843 1.00 0.00 N ATOM 345 NH2 ARG A 25 -9.402 -5.623 7.773 1.00 0.00 N ATOM 0 H ARG A 25 -2.383 -4.057 7.871 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.882 -4.656 10.727 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.244 -5.002 11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.023 -3.405 10.353 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.571 -4.339 8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.873 -5.897 8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.570 -4.698 10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.386 -3.304 9.301 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.954 -5.282 7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.433 -4.286 10.537 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.054 -4.794 10.050 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.038 -5.931 6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.395 -5.722 7.983 1.00 0.00 H new ATOM 359 N VAL A 26 -2.244 -7.154 10.383 1.00 0.00 N ATOM 360 CA VAL A 26 -2.122 -8.581 10.110 1.00 0.00 C ATOM 361 C VAL A 26 -3.391 -9.326 10.506 1.00 0.00 C ATOM 362 O VAL A 26 -3.632 -9.576 11.687 1.00 0.00 O ATOM 363 CB VAL A 26 -0.924 -9.195 10.858 1.00 0.00 C ATOM 364 CG1 VAL A 26 -0.788 -10.673 10.527 1.00 0.00 C ATOM 365 CG2 VAL A 26 0.356 -8.445 10.521 1.00 0.00 C ATOM 0 H VAL A 26 -2.232 -6.912 11.374 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.963 -8.686 9.037 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.101 -9.102 11.929 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.064 -11.089 11.065 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.696 -11.197 10.824 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.634 -10.793 9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.192 -8.892 11.058 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.541 -8.504 9.448 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.254 -7.400 10.814 1.00 0.00 H new ATOM 375 N GLU A 27 -4.198 -9.680 9.511 1.00 0.00 N ATOM 376 CA GLU A 27 -5.444 -10.397 9.757 1.00 0.00 C ATOM 377 C GLU A 27 -5.574 -11.597 8.824 1.00 0.00 C ATOM 378 O GLU A 27 -5.638 -11.445 7.605 1.00 0.00 O ATOM 379 CB GLU A 27 -6.642 -9.462 9.574 1.00 0.00 C ATOM 380 CG GLU A 27 -6.691 -8.797 8.209 1.00 0.00 C ATOM 381 CD GLU A 27 -7.469 -9.608 7.191 1.00 0.00 C ATOM 382 OE1 GLU A 27 -8.580 -10.070 7.526 1.00 0.00 O ATOM 383 OE2 GLU A 27 -6.967 -9.782 6.061 1.00 0.00 O ATOM 0 H GLU A 27 -4.012 -9.482 8.528 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.429 -10.758 10.785 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.561 -10.028 9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.611 -8.691 10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.145 -7.811 8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.674 -8.645 7.846 1.00 0.00 H new ATOM 390 N GLY A 28 -5.611 -12.792 9.407 1.00 0.00 N ATOM 391 CA GLY A 28 -5.733 -14.001 8.613 1.00 0.00 C ATOM 392 C GLY A 28 -4.389 -14.527 8.150 1.00 0.00 C ATOM 393 O GLY A 28 -4.239 -15.719 7.884 1.00 0.00 O ATOM 0 H GLY A 28 -5.559 -12.944 10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.238 -14.768 9.200 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.360 -13.800 7.744 1.00 0.00 H new ATOM 397 N GLY A 29 -3.408 -13.635 8.050 1.00 0.00 N ATOM 398 CA GLY A 29 -2.083 -14.035 7.613 1.00 0.00 C ATOM 399 C GLY A 29 -1.609 -13.250 6.406 1.00 0.00 C ATOM 400 O GLY A 29 -0.812 -13.745 5.610 1.00 0.00 O ATOM 0 H GLY A 29 -3.507 -12.643 8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.377 -13.898 8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.089 -15.098 7.372 1.00 0.00 H new ATOM 404 N GLU A 30 -2.102 -12.023 6.269 1.00 0.00 N ATOM 405 CA GLU A 30 -1.725 -11.170 5.148 1.00 0.00 C ATOM 406 C GLU A 30 -1.628 -9.710 5.584 1.00 0.00 C ATOM 407 O GLU A 30 -2.351 -9.268 6.478 1.00 0.00 O ATOM 408 CB GLU A 30 -2.738 -11.308 4.010 1.00 0.00 C ATOM 409 CG GLU A 30 -4.181 -11.147 4.457 1.00 0.00 C ATOM 410 CD GLU A 30 -4.794 -12.451 4.930 1.00 0.00 C ATOM 411 OE1 GLU A 30 -4.104 -13.490 4.860 1.00 0.00 O ATOM 412 OE2 GLU A 30 -5.962 -12.433 5.369 1.00 0.00 O ATOM 0 H GLU A 30 -2.763 -11.598 6.920 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.746 -11.491 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.518 -10.562 3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.618 -12.286 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.228 -10.414 5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.771 -10.751 3.631 1.00 0.00 H new ATOM 419 N LEU A 31 -0.731 -8.967 4.946 1.00 0.00 N ATOM 420 CA LEU A 31 -0.539 -7.557 5.266 1.00 0.00 C ATOM 421 C LEU A 31 -1.534 -6.685 4.507 1.00 0.00 C ATOM 422 O LEU A 31 -1.483 -6.590 3.281 1.00 0.00 O ATOM 423 CB LEU A 31 0.891 -7.128 4.932 1.00 0.00 C ATOM 424 CG LEU A 31 1.932 -7.348 6.031 1.00 0.00 C ATOM 425 CD1 LEU A 31 3.302 -6.877 5.570 1.00 0.00 C ATOM 426 CD2 LEU A 31 1.520 -6.628 7.307 1.00 0.00 C ATOM 0 H LEU A 31 -0.125 -9.317 4.204 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.711 -7.426 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.212 -7.668 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.881 -6.069 4.676 1.00 0.00 H new ATOM 0 HG LEU A 31 1.990 -8.416 6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.030 -7.041 6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.600 -7.437 4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.260 -5.814 5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.272 -6.795 8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.434 -5.559 7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.559 -7.013 7.648 1.00 0.00 H new ATOM 438 N VAL A 32 -2.437 -6.048 5.245 1.00 0.00 N ATOM 439 CA VAL A 32 -3.442 -5.180 4.642 1.00 0.00 C ATOM 440 C VAL A 32 -3.319 -3.752 5.162 1.00 0.00 C ATOM 441 O VAL A 32 -3.225 -3.526 6.368 1.00 0.00 O ATOM 442 CB VAL A 32 -4.867 -5.695 4.919 1.00 0.00 C ATOM 443 CG1 VAL A 32 -5.879 -4.956 4.057 1.00 0.00 C ATOM 444 CG2 VAL A 32 -4.947 -7.195 4.682 1.00 0.00 C ATOM 0 H VAL A 32 -2.494 -6.116 6.261 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.263 -5.188 3.567 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.107 -5.502 5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.880 -5.333 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.839 -3.890 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.645 -5.114 3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.961 -7.541 4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.687 -7.414 3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.251 -7.706 5.347 1.00 0.00 H new ATOM 454 N ILE A 33 -3.321 -2.792 4.243 1.00 0.00 N ATOM 455 CA ILE A 33 -3.211 -1.386 4.609 1.00 0.00 C ATOM 456 C ILE A 33 -4.348 -0.968 5.536 1.00 0.00 C ATOM 457 O ILE A 33 -5.417 -0.562 5.080 1.00 0.00 O ATOM 458 CB ILE A 33 -3.218 -0.478 3.365 1.00 0.00 C ATOM 459 CG1 ILE A 33 -1.886 -0.586 2.620 1.00 0.00 C ATOM 460 CG2 ILE A 33 -3.493 0.965 3.763 1.00 0.00 C ATOM 461 CD1 ILE A 33 -1.900 0.073 1.259 1.00 0.00 C ATOM 0 H ILE A 33 -3.398 -2.963 3.240 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.260 -1.269 5.129 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.014 -0.808 2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.102 -0.132 3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.629 -1.639 2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.495 1.594 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.464 1.028 4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.717 1.308 4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.923 -0.043 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.661 -0.396 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.126 1.134 1.371 1.00 0.00 H new ATOM 473 N ALA A 34 -4.110 -1.070 6.839 1.00 0.00 N ATOM 474 CA ALA A 34 -5.113 -0.700 7.830 1.00 0.00 C ATOM 475 C ALA A 34 -5.661 0.698 7.561 1.00 0.00 C ATOM 476 O ALA A 34 -6.871 0.887 7.438 1.00 0.00 O ATOM 477 CB ALA A 34 -4.524 -0.777 9.231 1.00 0.00 C ATOM 0 H ALA A 34 -3.231 -1.406 7.233 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.940 -1.407 7.756 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.284 -0.498 9.961 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.187 -1.795 9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.678 -0.093 9.308 1.00 0.00 H new ATOM 483 N ARG A 35 -4.763 1.673 7.471 1.00 0.00 N ATOM 484 CA ARG A 35 -5.157 3.054 7.219 1.00 0.00 C ATOM 485 C ARG A 35 -4.077 3.792 6.433 1.00 0.00 C ATOM 486 O ARG A 35 -2.920 3.372 6.403 1.00 0.00 O ATOM 487 CB ARG A 35 -5.428 3.779 8.538 1.00 0.00 C ATOM 488 CG ARG A 35 -5.165 5.274 8.477 1.00 0.00 C ATOM 489 CD ARG A 35 -5.352 5.929 9.837 1.00 0.00 C ATOM 490 NE ARG A 35 -6.755 6.217 10.118 1.00 0.00 N ATOM 491 CZ ARG A 35 -7.444 7.178 9.511 1.00 0.00 C ATOM 492 NH1 ARG A 35 -6.862 7.938 8.594 1.00 0.00 N ATOM 493 NH2 ARG A 35 -8.719 7.379 9.821 1.00 0.00 N ATOM 0 H ARG A 35 -3.757 1.532 7.569 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.071 3.042 6.625 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.466 3.613 8.827 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.805 3.341 9.318 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.150 5.452 8.123 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.839 5.734 7.755 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.954 5.274 10.612 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.777 6.854 9.876 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.233 5.650 10.818 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.883 7.786 8.352 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.393 8.675 8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.171 6.796 10.525 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.247 8.117 9.355 1.00 0.00 H new ATOM 507 N ILE A 36 -4.464 4.894 5.798 1.00 0.00 N ATOM 508 CA ILE A 36 -3.529 5.691 5.013 1.00 0.00 C ATOM 509 C ILE A 36 -3.619 7.167 5.384 1.00 0.00 C ATOM 510 O ILE A 36 -4.695 7.765 5.340 1.00 0.00 O ATOM 511 CB ILE A 36 -3.787 5.535 3.503 1.00 0.00 C ATOM 512 CG1 ILE A 36 -3.681 4.065 3.094 1.00 0.00 C ATOM 513 CG2 ILE A 36 -2.806 6.384 2.708 1.00 0.00 C ATOM 514 CD1 ILE A 36 -3.968 3.823 1.629 1.00 0.00 C ATOM 0 H ILE A 36 -5.418 5.255 5.812 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.529 5.322 5.242 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.797 5.881 3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.679 3.704 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.377 3.478 3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.001 6.263 1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.926 7.432 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.787 6.066 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.874 2.759 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.981 4.153 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.256 4.382 1.022 1.00 0.00 H new ATOM 526 N LEU A 37 -2.483 7.750 5.747 1.00 0.00 N ATOM 527 CA LEU A 37 -2.432 9.159 6.124 1.00 0.00 C ATOM 528 C LEU A 37 -2.461 10.054 4.889 1.00 0.00 C ATOM 529 O LEU A 37 -1.931 9.696 3.837 1.00 0.00 O ATOM 530 CB LEU A 37 -1.172 9.443 6.944 1.00 0.00 C ATOM 531 CG LEU A 37 -1.255 9.118 8.436 1.00 0.00 C ATOM 532 CD1 LEU A 37 -1.643 7.662 8.644 1.00 0.00 C ATOM 533 CD2 LEU A 37 0.069 9.422 9.122 1.00 0.00 C ATOM 0 H LEU A 37 -1.584 7.270 5.789 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.310 9.379 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.347 8.875 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.922 10.499 6.836 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.026 9.746 8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.697 7.449 9.712 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.615 7.476 8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.895 7.017 8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.008 9.185 10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.859 8.820 8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.306 10.479 9.003 1.00 0.00 H new ATOM 545 N HIS A 38 -3.082 11.222 5.025 1.00 0.00 N ATOM 546 CA HIS A 38 -3.177 12.170 3.921 1.00 0.00 C ATOM 547 C HIS A 38 -1.891 12.980 3.788 1.00 0.00 C ATOM 548 O HIS A 38 -1.012 12.913 4.646 1.00 0.00 O ATOM 549 CB HIS A 38 -4.366 13.109 4.130 1.00 0.00 C ATOM 550 CG HIS A 38 -4.022 14.349 4.897 1.00 0.00 C ATOM 551 ND1 HIS A 38 -3.771 15.563 4.293 1.00 0.00 N ATOM 552 CD2 HIS A 38 -3.890 14.558 6.228 1.00 0.00 C ATOM 553 CE1 HIS A 38 -3.498 16.465 5.218 1.00 0.00 C ATOM 554 NE2 HIS A 38 -3.563 15.881 6.401 1.00 0.00 N ATOM 0 H HIS A 38 -3.526 11.534 5.888 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.326 11.605 3.001 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.769 13.393 3.158 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.154 12.572 4.658 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.018 13.822 7.008 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.262 17.503 5.038 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.397 16.338 7.298 1.00 0.00 H new ATOM 563 N GLY A 39 -1.788 13.744 2.704 1.00 0.00 N ATOM 564 CA GLY A 39 -0.606 14.554 2.478 1.00 0.00 C ATOM 565 C GLY A 39 0.667 13.731 2.462 1.00 0.00 C ATOM 566 O GLY A 39 1.681 14.131 3.034 1.00 0.00 O ATOM 0 H GLY A 39 -2.502 13.816 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.706 15.081 1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.535 15.313 3.258 1.00 0.00 H new ATOM 570 N GLY A 40 0.615 12.575 1.807 1.00 0.00 N ATOM 571 CA GLY A 40 1.778 11.711 1.734 1.00 0.00 C ATOM 572 C GLY A 40 1.968 11.109 0.355 1.00 0.00 C ATOM 573 O GLY A 40 1.446 11.627 -0.632 1.00 0.00 O ATOM 0 H GLY A 40 -0.212 12.222 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.667 12.280 2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.678 10.910 2.466 1.00 0.00 H new ATOM 577 N MET A 41 2.718 10.014 0.287 1.00 0.00 N ATOM 578 CA MET A 41 2.975 9.342 -0.982 1.00 0.00 C ATOM 579 C MET A 41 1.742 8.576 -1.451 1.00 0.00 C ATOM 580 O MET A 41 1.134 8.920 -2.465 1.00 0.00 O ATOM 581 CB MET A 41 4.162 8.387 -0.846 1.00 0.00 C ATOM 582 CG MET A 41 4.322 7.445 -2.028 1.00 0.00 C ATOM 583 SD MET A 41 5.047 8.253 -3.467 1.00 0.00 S ATOM 584 CE MET A 41 6.633 8.761 -2.807 1.00 0.00 C ATOM 0 H MET A 41 3.158 9.573 1.095 1.00 0.00 H new ATOM 0 HA MET A 41 3.213 10.102 -1.726 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.076 8.970 -0.730 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.042 7.798 0.064 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.949 6.603 -1.734 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.348 7.038 -2.297 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.404 8.622 -3.565 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.589 9.812 -2.523 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.873 8.158 -1.931 1.00 0.00 H new ATOM 594 N VAL A 42 1.377 7.537 -0.706 1.00 0.00 N ATOM 595 CA VAL A 42 0.216 6.723 -1.046 1.00 0.00 C ATOM 596 C VAL A 42 -0.997 7.596 -1.349 1.00 0.00 C ATOM 597 O VAL A 42 -1.559 7.537 -2.442 1.00 0.00 O ATOM 598 CB VAL A 42 -0.138 5.748 0.092 1.00 0.00 C ATOM 599 CG1 VAL A 42 -1.426 5.003 -0.224 1.00 0.00 C ATOM 600 CG2 VAL A 42 1.005 4.775 0.335 1.00 0.00 C ATOM 0 H VAL A 42 1.869 7.239 0.137 1.00 0.00 H new ATOM 0 HA VAL A 42 0.479 6.151 -1.936 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.294 6.324 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.660 4.319 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.240 5.718 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.302 4.438 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.737 4.094 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.196 4.204 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.902 5.329 0.610 1.00 0.00 H new ATOM 610 N ALA A 43 -1.395 8.406 -0.373 1.00 0.00 N ATOM 611 CA ALA A 43 -2.540 9.293 -0.536 1.00 0.00 C ATOM 612 C ALA A 43 -2.515 9.977 -1.899 1.00 0.00 C ATOM 613 O ALA A 43 -3.373 9.728 -2.744 1.00 0.00 O ATOM 614 CB ALA A 43 -2.567 10.330 0.577 1.00 0.00 C ATOM 0 H ALA A 43 -0.941 8.466 0.539 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.446 8.690 -0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.427 10.986 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.641 9.827 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.652 10.921 0.546 1.00 0.00 H new ATOM 620 N GLN A 44 -1.525 10.841 -2.104 1.00 0.00 N ATOM 621 CA GLN A 44 -1.390 11.562 -3.363 1.00 0.00 C ATOM 622 C GLN A 44 -1.602 10.628 -4.551 1.00 0.00 C ATOM 623 O GLN A 44 -2.511 10.830 -5.356 1.00 0.00 O ATOM 624 CB GLN A 44 -0.011 12.218 -3.455 1.00 0.00 C ATOM 625 CG GLN A 44 0.139 13.444 -2.569 1.00 0.00 C ATOM 626 CD GLN A 44 -0.611 14.647 -3.106 1.00 0.00 C ATOM 627 OE1 GLN A 44 -0.486 14.998 -4.280 1.00 0.00 O ATOM 628 NE2 GLN A 44 -1.396 15.287 -2.248 1.00 0.00 N ATOM 0 H GLN A 44 -0.806 11.058 -1.414 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.156 12.337 -3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.749 11.487 -3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.179 12.502 -4.490 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.225 13.211 -1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.196 13.692 -2.474 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.470 14.962 -1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.925 16.104 -2.553 1.00 0.00 H new ATOM 637 N GLN A 45 -0.757 9.608 -4.652 1.00 0.00 N ATOM 638 CA GLN A 45 -0.851 8.644 -5.742 1.00 0.00 C ATOM 639 C GLN A 45 -2.300 8.232 -5.981 1.00 0.00 C ATOM 640 O GLN A 45 -2.759 8.170 -7.121 1.00 0.00 O ATOM 641 CB GLN A 45 -0.002 7.409 -5.435 1.00 0.00 C ATOM 642 CG GLN A 45 1.429 7.515 -5.935 1.00 0.00 C ATOM 643 CD GLN A 45 2.298 6.364 -5.467 1.00 0.00 C ATOM 644 OE1 GLN A 45 2.355 6.161 -4.156 1.00 0.00 O flip ATOM 645 NE2 GLN A 45 2.911 5.666 -6.275 1.00 0.00 N flip ATOM 0 H GLN A 45 0.000 9.427 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.473 9.120 -6.647 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.010 7.245 -4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.472 6.534 -5.885 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.428 7.545 -7.025 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.861 8.455 -5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.838 5.859 -7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.492 4.895 -5.945 1.00 0.00 H new ATOM 654 N GLY A 46 -3.017 7.951 -4.897 1.00 0.00 N ATOM 655 CA GLY A 46 -4.407 7.549 -5.010 1.00 0.00 C ATOM 656 C GLY A 46 -4.558 6.096 -5.416 1.00 0.00 C ATOM 657 O GLY A 46 -5.664 5.553 -5.407 1.00 0.00 O ATOM 0 H GLY A 46 -2.660 7.995 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.908 7.710 -4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.907 8.182 -5.743 1.00 0.00 H new ATOM 661 N LEU A 47 -3.446 5.465 -5.774 1.00 0.00 N ATOM 662 CA LEU A 47 -3.460 4.066 -6.187 1.00 0.00 C ATOM 663 C LEU A 47 -3.842 3.158 -5.022 1.00 0.00 C ATOM 664 O LEU A 47 -4.945 2.611 -4.983 1.00 0.00 O ATOM 665 CB LEU A 47 -2.090 3.662 -6.735 1.00 0.00 C ATOM 666 CG LEU A 47 -1.577 4.474 -7.925 1.00 0.00 C ATOM 667 CD1 LEU A 47 -0.074 4.301 -8.082 1.00 0.00 C ATOM 668 CD2 LEU A 47 -2.299 4.064 -9.201 1.00 0.00 C ATOM 0 H LEU A 47 -2.523 5.899 -5.787 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.207 3.952 -6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.361 3.738 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.133 2.613 -7.028 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.783 5.528 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.273 4.886 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.428 4.644 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.156 3.248 -8.247 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.921 4.652 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.125 3.005 -9.394 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.368 4.241 -9.087 1.00 0.00 H new ATOM 680 N LEU A 48 -2.924 3.002 -4.075 1.00 0.00 N ATOM 681 CA LEU A 48 -3.165 2.162 -2.907 1.00 0.00 C ATOM 682 C LEU A 48 -4.335 2.695 -2.085 1.00 0.00 C ATOM 683 O LEU A 48 -4.548 3.905 -2.001 1.00 0.00 O ATOM 684 CB LEU A 48 -1.908 2.089 -2.038 1.00 0.00 C ATOM 685 CG LEU A 48 -0.656 1.531 -2.715 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.598 2.128 -2.094 1.00 0.00 C ATOM 687 CD2 LEU A 48 -0.629 0.013 -2.619 1.00 0.00 C ATOM 0 H LEU A 48 -2.006 3.446 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.416 1.161 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.684 3.092 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.129 1.475 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.683 1.808 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.479 1.719 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.584 3.211 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.631 1.882 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.269 -0.366 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.627 -0.285 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.510 -0.398 -3.111 1.00 0.00 H new ATOM 699 N HIS A 49 -5.089 1.783 -1.478 1.00 0.00 N ATOM 700 CA HIS A 49 -6.235 2.161 -0.660 1.00 0.00 C ATOM 701 C HIS A 49 -6.574 1.062 0.342 1.00 0.00 C ATOM 702 O HIS A 49 -6.333 -0.118 0.089 1.00 0.00 O ATOM 703 CB HIS A 49 -7.448 2.451 -1.546 1.00 0.00 C ATOM 704 CG HIS A 49 -8.093 1.218 -2.099 1.00 0.00 C ATOM 705 ND1 HIS A 49 -8.895 0.386 -1.347 1.00 0.00 N ATOM 706 CD2 HIS A 49 -8.053 0.678 -3.340 1.00 0.00 C ATOM 707 CE1 HIS A 49 -9.319 -0.614 -2.100 1.00 0.00 C ATOM 708 NE2 HIS A 49 -8.822 -0.459 -3.314 1.00 0.00 N ATOM 0 H HIS A 49 -4.926 0.778 -1.538 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.973 3.064 -0.108 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.185 3.009 -0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.140 3.092 -2.372 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -9.125 0.521 -0.363 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.516 1.069 -4.192 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.962 -1.420 -1.778 1.00 0.00 H new ATOM 717 N VAL A 50 -7.133 1.458 1.481 1.00 0.00 N ATOM 718 CA VAL A 50 -7.505 0.507 2.522 1.00 0.00 C ATOM 719 C VAL A 50 -7.991 -0.806 1.918 1.00 0.00 C ATOM 720 O VAL A 50 -8.863 -0.817 1.050 1.00 0.00 O ATOM 721 CB VAL A 50 -8.605 1.077 3.437 1.00 0.00 C ATOM 722 CG1 VAL A 50 -9.016 0.051 4.481 1.00 0.00 C ATOM 723 CG2 VAL A 50 -8.133 2.363 4.098 1.00 0.00 C ATOM 0 H VAL A 50 -7.338 2.431 1.706 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.610 0.322 3.116 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.478 1.308 2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.794 0.472 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.397 -0.841 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.152 -0.214 5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.922 2.752 4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.245 2.160 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.893 3.100 3.331 1.00 0.00 H new ATOM 733 N GLY A 51 -7.421 -1.913 2.384 1.00 0.00 N ATOM 734 CA GLY A 51 -7.809 -3.217 1.879 1.00 0.00 C ATOM 735 C GLY A 51 -6.732 -3.851 1.021 1.00 0.00 C ATOM 736 O GLY A 51 -6.718 -5.066 0.828 1.00 0.00 O ATOM 0 H GLY A 51 -6.697 -1.930 3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.035 -3.875 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.724 -3.119 1.295 1.00 0.00 H new ATOM 740 N ASP A 52 -5.829 -3.026 0.503 1.00 0.00 N ATOM 741 CA ASP A 52 -4.743 -3.512 -0.340 1.00 0.00 C ATOM 742 C ASP A 52 -3.937 -4.589 0.379 1.00 0.00 C ATOM 743 O ASP A 52 -3.524 -4.407 1.525 1.00 0.00 O ATOM 744 CB ASP A 52 -3.827 -2.357 -0.746 1.00 0.00 C ATOM 745 CG ASP A 52 -4.310 -1.645 -1.993 1.00 0.00 C ATOM 746 OD1 ASP A 52 -5.518 -1.338 -2.070 1.00 0.00 O ATOM 747 OD2 ASP A 52 -3.481 -1.395 -2.893 1.00 0.00 O ATOM 0 H ASP A 52 -5.828 -2.017 0.652 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.181 -3.950 -1.237 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.763 -1.643 0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.820 -2.738 -0.916 1.00 0.00 H new ATOM 752 N ILE A 53 -3.719 -5.710 -0.300 1.00 0.00 N ATOM 753 CA ILE A 53 -2.962 -6.816 0.275 1.00 0.00 C ATOM 754 C ILE A 53 -1.587 -6.937 -0.373 1.00 0.00 C ATOM 755 O ILE A 53 -1.474 -7.066 -1.592 1.00 0.00 O ATOM 756 CB ILE A 53 -3.711 -8.152 0.118 1.00 0.00 C ATOM 757 CG1 ILE A 53 -5.076 -8.082 0.807 1.00 0.00 C ATOM 758 CG2 ILE A 53 -2.883 -9.294 0.688 1.00 0.00 C ATOM 759 CD1 ILE A 53 -5.843 -9.384 0.763 1.00 0.00 C ATOM 0 H ILE A 53 -4.055 -5.877 -1.248 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.842 -6.599 1.336 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.870 -8.339 -0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.934 -7.788 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.673 -7.302 0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.426 -10.232 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.933 -9.355 0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.696 -9.115 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.800 -9.260 1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.017 -9.669 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.266 -10.163 1.262 1.00 0.00 H new ATOM 771 N ILE A 54 -0.546 -6.896 0.451 1.00 0.00 N ATOM 772 CA ILE A 54 0.822 -7.005 -0.041 1.00 0.00 C ATOM 773 C ILE A 54 1.342 -8.432 0.091 1.00 0.00 C ATOM 774 O ILE A 54 1.114 -9.097 1.101 1.00 0.00 O ATOM 775 CB ILE A 54 1.769 -6.053 0.713 1.00 0.00 C ATOM 776 CG1 ILE A 54 1.239 -4.619 0.655 1.00 0.00 C ATOM 777 CG2 ILE A 54 3.172 -6.129 0.129 1.00 0.00 C ATOM 778 CD1 ILE A 54 1.858 -3.703 1.688 1.00 0.00 C ATOM 0 H ILE A 54 -0.623 -6.788 1.462 1.00 0.00 H new ATOM 0 HA ILE A 54 0.802 -6.725 -1.094 1.00 0.00 H new ATOM 0 HB ILE A 54 1.814 -6.362 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.426 -4.211 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.158 -4.634 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.830 -5.451 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.548 -7.148 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.144 -5.843 -0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.435 -2.703 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.649 -4.087 2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.936 -3.658 1.535 1.00 0.00 H new ATOM 790 N LYS A 55 2.045 -8.897 -0.937 1.00 0.00 N ATOM 791 CA LYS A 55 2.601 -10.245 -0.936 1.00 0.00 C ATOM 792 C LYS A 55 4.126 -10.203 -0.964 1.00 0.00 C ATOM 793 O LYS A 55 4.786 -10.738 -0.073 1.00 0.00 O ATOM 794 CB LYS A 55 2.081 -11.034 -2.139 1.00 0.00 C ATOM 795 CG LYS A 55 0.663 -11.550 -1.961 1.00 0.00 C ATOM 796 CD LYS A 55 0.649 -12.942 -1.352 1.00 0.00 C ATOM 797 CE LYS A 55 -0.548 -13.749 -1.831 1.00 0.00 C ATOM 798 NZ LYS A 55 -1.722 -13.588 -0.930 1.00 0.00 N ATOM 0 H LYS A 55 2.243 -8.360 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 55 2.284 -10.742 -0.019 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.119 -10.398 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.745 -11.878 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.104 -10.867 -1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.158 -11.569 -2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.569 -13.464 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.625 -12.864 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.818 -13.434 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.276 -14.803 -1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.517 -14.154 -1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.473 -13.912 0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.998 -12.586 -0.895 1.00 0.00 H new ATOM 812 N GLU A 56 4.678 -9.563 -1.990 1.00 0.00 N ATOM 813 CA GLU A 56 6.125 -9.452 -2.131 1.00 0.00 C ATOM 814 C GLU A 56 6.525 -8.037 -2.538 1.00 0.00 C ATOM 815 O GLU A 56 5.739 -7.308 -3.143 1.00 0.00 O ATOM 816 CB GLU A 56 6.638 -10.457 -3.165 1.00 0.00 C ATOM 817 CG GLU A 56 8.143 -10.662 -3.121 1.00 0.00 C ATOM 818 CD GLU A 56 8.583 -11.911 -3.858 1.00 0.00 C ATOM 819 OE1 GLU A 56 8.176 -12.087 -5.025 1.00 0.00 O ATOM 820 OE2 GLU A 56 9.336 -12.714 -3.267 1.00 0.00 O ATOM 0 H GLU A 56 4.146 -9.114 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 56 6.577 -9.675 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.145 -11.415 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.355 -10.117 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.637 -9.794 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.467 -10.724 -2.082 1.00 0.00 H new ATOM 827 N VAL A 57 7.754 -7.656 -2.202 1.00 0.00 N ATOM 828 CA VAL A 57 8.259 -6.329 -2.533 1.00 0.00 C ATOM 829 C VAL A 57 9.665 -6.407 -3.118 1.00 0.00 C ATOM 830 O VAL A 57 10.585 -6.918 -2.481 1.00 0.00 O ATOM 831 CB VAL A 57 8.280 -5.412 -1.296 1.00 0.00 C ATOM 832 CG1 VAL A 57 9.160 -4.197 -1.547 1.00 0.00 C ATOM 833 CG2 VAL A 57 6.867 -4.989 -0.923 1.00 0.00 C ATOM 0 H VAL A 57 8.417 -8.247 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 57 7.582 -5.908 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 57 8.701 -5.969 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.163 -3.561 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.178 -4.523 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.771 -3.635 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.900 -4.341 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.417 -4.449 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.270 -5.873 -0.698 1.00 0.00 H new ATOM 843 N ASN A 58 9.823 -5.896 -4.334 1.00 0.00 N ATOM 844 CA ASN A 58 11.118 -5.907 -5.006 1.00 0.00 C ATOM 845 C ASN A 58 11.754 -7.292 -4.937 1.00 0.00 C ATOM 846 O ASN A 58 12.974 -7.430 -5.008 1.00 0.00 O ATOM 847 CB ASN A 58 12.052 -4.872 -4.376 1.00 0.00 C ATOM 848 CG ASN A 58 11.740 -3.459 -4.829 1.00 0.00 C ATOM 849 OD1 ASN A 58 11.357 -3.234 -5.977 1.00 0.00 O ATOM 850 ND2 ASN A 58 11.902 -2.499 -3.925 1.00 0.00 N ATOM 0 H ASN A 58 9.071 -5.469 -4.875 1.00 0.00 H new ATOM 0 HA ASN A 58 10.958 -5.652 -6.054 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.972 -4.928 -3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 58 13.083 -5.113 -4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.707 -1.529 -4.171 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.222 -2.732 -2.985 1.00 0.00 H new ATOM 857 N GLY A 59 10.917 -8.316 -4.798 1.00 0.00 N ATOM 858 CA GLY A 59 11.416 -9.677 -4.723 1.00 0.00 C ATOM 859 C GLY A 59 11.832 -10.064 -3.318 1.00 0.00 C ATOM 860 O GLY A 59 12.798 -10.804 -3.132 1.00 0.00 O ATOM 0 H GLY A 59 9.903 -8.227 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.645 -10.363 -5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.268 -9.786 -5.394 1.00 0.00 H new ATOM 864 N GLN A 60 11.102 -9.563 -2.326 1.00 0.00 N ATOM 865 CA GLN A 60 11.403 -9.860 -0.931 1.00 0.00 C ATOM 866 C GLN A 60 10.122 -10.069 -0.130 1.00 0.00 C ATOM 867 O GLN A 60 9.139 -9.344 -0.285 1.00 0.00 O ATOM 868 CB GLN A 60 12.226 -8.728 -0.313 1.00 0.00 C ATOM 869 CG GLN A 60 11.982 -8.542 1.176 1.00 0.00 C ATOM 870 CD GLN A 60 12.997 -7.619 1.823 1.00 0.00 C ATOM 871 OE1 GLN A 60 14.172 -7.963 1.952 1.00 0.00 O ATOM 872 NE2 GLN A 60 12.547 -6.439 2.232 1.00 0.00 N ATOM 0 H GLN A 60 10.298 -8.950 -2.463 1.00 0.00 H new ATOM 0 HA GLN A 60 11.984 -10.782 -0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.285 -8.928 -0.477 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.994 -7.797 -0.830 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.981 -8.139 1.329 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.013 -9.513 1.670 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.565 -6.196 2.105 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.184 -5.776 2.674 1.00 0.00 H new ATOM 881 N PRO A 61 10.131 -11.084 0.746 1.00 0.00 N ATOM 882 CA PRO A 61 8.977 -11.412 1.589 1.00 0.00 C ATOM 883 C PRO A 61 8.724 -10.359 2.662 1.00 0.00 C ATOM 884 O PRO A 61 9.620 -10.021 3.437 1.00 0.00 O ATOM 885 CB PRO A 61 9.373 -12.745 2.230 1.00 0.00 C ATOM 886 CG PRO A 61 10.863 -12.741 2.221 1.00 0.00 C ATOM 887 CD PRO A 61 11.268 -11.990 0.983 1.00 0.00 C ATOM 0 HA PRO A 61 8.052 -11.458 1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.983 -12.828 3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.976 -13.589 1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.257 -12.260 3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.256 -13.758 2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.196 -11.439 1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.429 -12.662 0.140 1.00 0.00 H new ATOM 895 N VAL A 62 7.500 -9.844 2.703 1.00 0.00 N ATOM 896 CA VAL A 62 7.129 -8.830 3.683 1.00 0.00 C ATOM 897 C VAL A 62 6.845 -9.458 5.043 1.00 0.00 C ATOM 898 O VAL A 62 6.860 -8.777 6.067 1.00 0.00 O ATOM 899 CB VAL A 62 5.891 -8.035 3.227 1.00 0.00 C ATOM 900 CG1 VAL A 62 6.121 -7.431 1.850 1.00 0.00 C ATOM 901 CG2 VAL A 62 4.657 -8.925 3.229 1.00 0.00 C ATOM 0 H VAL A 62 6.748 -10.112 2.069 1.00 0.00 H new ATOM 0 HA VAL A 62 7.976 -8.149 3.771 1.00 0.00 H new ATOM 0 HB VAL A 62 5.724 -7.220 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.236 -6.873 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.979 -6.759 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.314 -8.227 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.791 -8.348 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.811 -9.762 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.483 -9.304 4.236 1.00 0.00 H new ATOM 911 N GLY A 63 6.585 -10.762 5.044 1.00 0.00 N ATOM 912 CA GLY A 63 6.301 -11.460 6.284 1.00 0.00 C ATOM 913 C GLY A 63 5.084 -10.905 6.997 1.00 0.00 C ATOM 914 O GLY A 63 4.432 -9.985 6.501 1.00 0.00 O ATOM 0 H GLY A 63 6.566 -11.347 4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.144 -12.518 6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.167 -11.391 6.943 1.00 0.00 H new ATOM 918 N SER A 64 4.776 -11.464 8.162 1.00 0.00 N ATOM 919 CA SER A 64 3.626 -11.023 8.942 1.00 0.00 C ATOM 920 C SER A 64 4.006 -9.871 9.867 1.00 0.00 C ATOM 921 O SER A 64 3.286 -9.558 10.815 1.00 0.00 O ATOM 922 CB SER A 64 3.062 -12.185 9.761 1.00 0.00 C ATOM 923 OG SER A 64 3.989 -12.615 10.743 1.00 0.00 O ATOM 0 H SER A 64 5.307 -12.224 8.587 1.00 0.00 H new ATOM 0 HA SER A 64 2.862 -10.672 8.249 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.134 -11.878 10.243 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.818 -13.016 9.099 1.00 0.00 H new ATOM 0 HG SER A 64 3.604 -13.357 11.254 1.00 0.00 H new ATOM 929 N ASP A 65 5.144 -9.245 9.585 1.00 0.00 N ATOM 930 CA ASP A 65 5.621 -8.127 10.390 1.00 0.00 C ATOM 931 C ASP A 65 5.388 -6.801 9.672 1.00 0.00 C ATOM 932 O ASP A 65 6.198 -6.356 8.859 1.00 0.00 O ATOM 933 CB ASP A 65 7.108 -8.296 10.704 1.00 0.00 C ATOM 934 CG ASP A 65 7.383 -9.511 11.569 1.00 0.00 C ATOM 935 OD1 ASP A 65 6.481 -9.911 12.335 1.00 0.00 O ATOM 936 OD2 ASP A 65 8.500 -10.062 11.479 1.00 0.00 O ATOM 0 H ASP A 65 5.753 -9.493 8.805 1.00 0.00 H new ATOM 0 HA ASP A 65 5.058 -8.117 11.324 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.666 -8.384 9.772 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.473 -7.403 11.211 1.00 0.00 H new ATOM 941 N PRO A 66 4.253 -6.154 9.978 1.00 0.00 N ATOM 942 CA PRO A 66 3.886 -4.871 9.372 1.00 0.00 C ATOM 943 C PRO A 66 4.780 -3.730 9.846 1.00 0.00 C ATOM 944 O PRO A 66 5.078 -2.806 9.088 1.00 0.00 O ATOM 945 CB PRO A 66 2.447 -4.654 9.845 1.00 0.00 C ATOM 946 CG PRO A 66 2.342 -5.433 11.110 1.00 0.00 C ATOM 947 CD PRO A 66 3.241 -6.626 10.938 1.00 0.00 C ATOM 0 HA PRO A 66 3.995 -4.886 8.288 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.241 -3.597 10.013 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.729 -5.005 9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.651 -4.832 11.965 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.313 -5.743 11.293 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.693 -6.928 11.883 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.695 -7.489 10.555 1.00 0.00 H new ATOM 955 N ARG A 67 5.204 -3.800 11.104 1.00 0.00 N ATOM 956 CA ARG A 67 6.063 -2.772 11.679 1.00 0.00 C ATOM 957 C ARG A 67 7.452 -2.808 11.047 1.00 0.00 C ATOM 958 O ARG A 67 8.169 -1.809 11.043 1.00 0.00 O ATOM 959 CB ARG A 67 6.175 -2.958 13.193 1.00 0.00 C ATOM 960 CG ARG A 67 4.831 -2.990 13.903 1.00 0.00 C ATOM 961 CD ARG A 67 4.981 -3.391 15.362 1.00 0.00 C ATOM 962 NE ARG A 67 5.362 -2.260 16.204 1.00 0.00 N ATOM 963 CZ ARG A 67 5.393 -2.310 17.531 1.00 0.00 C ATOM 964 NH1 ARG A 67 5.069 -3.430 18.164 1.00 0.00 N ATOM 965 NH2 ARG A 67 5.750 -1.239 18.229 1.00 0.00 N ATOM 0 H ARG A 67 4.967 -4.558 11.744 1.00 0.00 H new ATOM 0 HA ARG A 67 5.613 -1.801 11.472 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.707 -3.887 13.398 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.776 -2.148 13.607 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.362 -2.008 13.841 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.168 -3.692 13.398 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.041 -3.810 15.721 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.733 -4.176 15.447 1.00 0.00 H new ATOM 0 HE ARG A 67 5.618 -1.384 15.748 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.795 -4.256 17.632 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.094 -3.465 19.183 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.001 -0.376 17.746 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.773 -1.279 19.248 1.00 0.00 H new ATOM 979 N ALA A 68 7.824 -3.968 10.516 1.00 0.00 N ATOM 980 CA ALA A 68 9.126 -4.135 9.881 1.00 0.00 C ATOM 981 C ALA A 68 9.078 -3.721 8.414 1.00 0.00 C ATOM 982 O ALA A 68 10.084 -3.291 7.847 1.00 0.00 O ATOM 983 CB ALA A 68 9.595 -5.577 10.010 1.00 0.00 C ATOM 0 H ALA A 68 7.242 -4.806 10.513 1.00 0.00 H new ATOM 0 HA ALA A 68 9.838 -3.486 10.391 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.568 -5.687 9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.677 -5.840 11.065 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.876 -6.238 9.526 1.00 0.00 H new ATOM 989 N LEU A 69 7.905 -3.853 7.805 1.00 0.00 N ATOM 990 CA LEU A 69 7.727 -3.493 6.403 1.00 0.00 C ATOM 991 C LEU A 69 7.828 -1.983 6.211 1.00 0.00 C ATOM 992 O LEU A 69 8.626 -1.502 5.408 1.00 0.00 O ATOM 993 CB LEU A 69 6.373 -3.993 5.896 1.00 0.00 C ATOM 994 CG LEU A 69 5.744 -3.190 4.757 1.00 0.00 C ATOM 995 CD1 LEU A 69 6.563 -3.336 3.484 1.00 0.00 C ATOM 996 CD2 LEU A 69 4.307 -3.632 4.522 1.00 0.00 C ATOM 0 H LEU A 69 7.063 -4.207 8.260 1.00 0.00 H new ATOM 0 HA LEU A 69 8.522 -3.968 5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.490 -5.025 5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.676 -4.005 6.734 1.00 0.00 H new ATOM 0 HG LEU A 69 5.738 -2.138 5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.100 -2.757 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.575 -2.969 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.603 -4.386 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.876 -3.050 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.290 -4.690 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.725 -3.474 5.430 1.00 0.00 H new ATOM 1008 N GLN A 70 7.014 -1.241 6.956 1.00 0.00 N ATOM 1009 CA GLN A 70 7.013 0.214 6.868 1.00 0.00 C ATOM 1010 C GLN A 70 8.429 0.767 6.991 1.00 0.00 C ATOM 1011 O GLN A 70 8.699 1.900 6.593 1.00 0.00 O ATOM 1012 CB GLN A 70 6.123 0.811 7.960 1.00 0.00 C ATOM 1013 CG GLN A 70 4.673 0.365 7.874 1.00 0.00 C ATOM 1014 CD GLN A 70 3.924 0.561 9.177 1.00 0.00 C ATOM 1015 OE1 GLN A 70 3.841 1.673 9.698 1.00 0.00 O ATOM 1016 NE2 GLN A 70 3.372 -0.523 9.712 1.00 0.00 N ATOM 0 H GLN A 70 6.347 -1.624 7.627 1.00 0.00 H new ATOM 0 HA GLN A 70 6.616 0.494 5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.523 0.533 8.935 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.164 1.898 7.897 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.171 0.923 7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.637 -0.688 7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.465 -1.426 9.246 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.855 -0.452 10.588 1.00 0.00 H new ATOM 1025 N GLU A 71 9.329 -0.040 7.545 1.00 0.00 N ATOM 1026 CA GLU A 71 10.717 0.371 7.721 1.00 0.00 C ATOM 1027 C GLU A 71 11.545 0.032 6.485 1.00 0.00 C ATOM 1028 O GLU A 71 12.486 0.748 6.139 1.00 0.00 O ATOM 1029 CB GLU A 71 11.320 -0.305 8.954 1.00 0.00 C ATOM 1030 CG GLU A 71 12.788 0.020 9.170 1.00 0.00 C ATOM 1031 CD GLU A 71 13.223 -0.173 10.610 1.00 0.00 C ATOM 1032 OE1 GLU A 71 13.473 -1.332 11.003 1.00 0.00 O ATOM 1033 OE2 GLU A 71 13.313 0.833 11.344 1.00 0.00 O ATOM 0 H GLU A 71 9.122 -0.981 7.879 1.00 0.00 H new ATOM 0 HA GLU A 71 10.734 1.451 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.756 -0.002 9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.206 -1.385 8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.395 -0.613 8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.975 1.052 8.873 1.00 0.00 H new ATOM 1040 N LEU A 72 11.190 -1.065 5.825 1.00 0.00 N ATOM 1041 CA LEU A 72 11.900 -1.500 4.628 1.00 0.00 C ATOM 1042 C LEU A 72 11.837 -0.434 3.539 1.00 0.00 C ATOM 1043 O LEU A 72 12.828 -0.168 2.857 1.00 0.00 O ATOM 1044 CB LEU A 72 11.308 -2.812 4.108 1.00 0.00 C ATOM 1045 CG LEU A 72 10.176 -2.679 3.088 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.723 -2.245 1.738 1.00 0.00 C ATOM 1047 CD2 LEU A 72 9.416 -3.992 2.962 1.00 0.00 C ATOM 0 H LEU A 72 10.415 -1.669 6.099 1.00 0.00 H new ATOM 0 HA LEU A 72 12.945 -1.660 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.110 -3.396 3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.938 -3.383 4.959 1.00 0.00 H new ATOM 0 HG LEU A 72 9.484 -1.914 3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.903 -2.156 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.222 -1.281 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.437 -2.987 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.614 -3.880 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.098 -4.777 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.991 -4.261 3.929 1.00 0.00 H new ATOM 1059 N LEU A 73 10.667 0.175 3.382 1.00 0.00 N ATOM 1060 CA LEU A 73 10.475 1.215 2.377 1.00 0.00 C ATOM 1061 C LEU A 73 11.291 2.459 2.717 1.00 0.00 C ATOM 1062 O LEU A 73 11.941 3.043 1.851 1.00 0.00 O ATOM 1063 CB LEU A 73 8.993 1.578 2.268 1.00 0.00 C ATOM 1064 CG LEU A 73 8.083 0.509 1.662 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.672 0.632 2.216 1.00 0.00 C ATOM 1066 CD2 LEU A 73 8.073 0.614 0.144 1.00 0.00 C ATOM 0 H LEU A 73 9.837 -0.033 3.937 1.00 0.00 H new ATOM 0 HA LEU A 73 10.820 0.828 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.624 1.818 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.905 2.484 1.669 1.00 0.00 H new ATOM 0 HG LEU A 73 8.474 -0.471 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.039 -0.137 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.694 0.505 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.271 1.616 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.420 -0.155 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.707 1.598 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.085 0.474 -0.237 1.00 0.00 H new ATOM 1078 N ARG A 74 11.253 2.856 3.985 1.00 0.00 N ATOM 1079 CA ARG A 74 11.989 4.029 4.440 1.00 0.00 C ATOM 1080 C ARG A 74 13.405 4.037 3.871 1.00 0.00 C ATOM 1081 O ARG A 74 13.973 5.095 3.606 1.00 0.00 O ATOM 1082 CB ARG A 74 12.042 4.064 5.968 1.00 0.00 C ATOM 1083 CG ARG A 74 12.602 5.361 6.529 1.00 0.00 C ATOM 1084 CD ARG A 74 12.731 5.303 8.044 1.00 0.00 C ATOM 1085 NE ARG A 74 12.954 6.624 8.625 1.00 0.00 N ATOM 1086 CZ ARG A 74 12.714 6.917 9.898 1.00 0.00 C ATOM 1087 NH1 ARG A 74 12.246 5.987 10.719 1.00 0.00 N ATOM 1088 NH2 ARG A 74 12.943 8.143 10.352 1.00 0.00 N ATOM 0 H ARG A 74 10.721 2.383 4.715 1.00 0.00 H new ATOM 0 HA ARG A 74 11.466 4.916 4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.037 3.912 6.361 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.652 3.232 6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.579 5.558 6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 74 11.952 6.190 6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.826 4.868 8.469 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.557 4.645 8.313 1.00 0.00 H new ATOM 0 HE ARG A 74 13.314 7.362 8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 74 12.069 5.044 10.373 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.063 6.215 11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.303 8.861 9.723 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.758 8.368 11.330 1.00 0.00 H new ATOM 1102 N ASN A 75 13.970 2.847 3.688 1.00 0.00 N ATOM 1103 CA ASN A 75 15.320 2.717 3.153 1.00 0.00 C ATOM 1104 C ASN A 75 15.290 2.165 1.731 1.00 0.00 C ATOM 1105 O ASN A 75 16.119 1.335 1.358 1.00 0.00 O ATOM 1106 CB ASN A 75 16.160 1.804 4.048 1.00 0.00 C ATOM 1107 CG ASN A 75 16.271 2.328 5.467 1.00 0.00 C ATOM 1108 OD1 ASN A 75 17.064 3.226 5.749 1.00 0.00 O ATOM 1109 ND2 ASN A 75 15.472 1.768 6.368 1.00 0.00 N ATOM 0 H ASN A 75 13.514 1.960 3.902 1.00 0.00 H new ATOM 0 HA ASN A 75 15.772 3.709 3.130 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.717 0.808 4.065 1.00 0.00 H new ATOM 0 HB3 ASN A 75 17.158 1.701 3.622 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.500 2.080 7.339 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.830 1.026 6.089 1.00 0.00 H new ATOM 1116 N ALA A 76 14.329 2.633 0.941 1.00 0.00 N ATOM 1117 CA ALA A 76 14.192 2.189 -0.441 1.00 0.00 C ATOM 1118 C ALA A 76 14.195 3.373 -1.401 1.00 0.00 C ATOM 1119 O ALA A 76 13.149 3.957 -1.684 1.00 0.00 O ATOM 1120 CB ALA A 76 12.919 1.373 -0.610 1.00 0.00 C ATOM 0 H ALA A 76 13.634 3.319 1.234 1.00 0.00 H new ATOM 0 HA ALA A 76 15.049 1.559 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.830 1.048 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.957 0.500 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.057 1.985 -0.346 1.00 0.00 H new ATOM 1126 N SER A 77 15.377 3.723 -1.899 1.00 0.00 N ATOM 1127 CA SER A 77 15.516 4.842 -2.824 1.00 0.00 C ATOM 1128 C SER A 77 15.451 4.361 -4.270 1.00 0.00 C ATOM 1129 O SER A 77 16.060 3.355 -4.630 1.00 0.00 O ATOM 1130 CB SER A 77 16.836 5.574 -2.577 1.00 0.00 C ATOM 1131 OG SER A 77 16.859 6.823 -3.246 1.00 0.00 O ATOM 0 H SER A 77 16.252 3.248 -1.677 1.00 0.00 H new ATOM 0 HA SER A 77 14.689 5.531 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.975 5.728 -1.507 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.667 4.958 -2.921 1.00 0.00 H new ATOM 0 HG SER A 77 17.712 7.272 -3.071 1.00 0.00 H new ATOM 1137 N GLY A 78 14.706 5.090 -5.097 1.00 0.00 N ATOM 1138 CA GLY A 78 14.574 4.724 -6.495 1.00 0.00 C ATOM 1139 C GLY A 78 13.206 4.157 -6.818 1.00 0.00 C ATOM 1140 O GLY A 78 12.276 4.266 -6.020 1.00 0.00 O ATOM 0 H GLY A 78 14.192 5.927 -4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.756 5.601 -7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.338 3.989 -6.749 1.00 0.00 H new ATOM 1144 N SER A 79 13.082 3.550 -7.995 1.00 0.00 N ATOM 1145 CA SER A 79 11.816 2.968 -8.425 1.00 0.00 C ATOM 1146 C SER A 79 11.511 1.694 -7.643 1.00 0.00 C ATOM 1147 O SER A 79 12.044 0.625 -7.942 1.00 0.00 O ATOM 1148 CB SER A 79 11.854 2.664 -9.924 1.00 0.00 C ATOM 1149 OG SER A 79 11.589 3.828 -10.687 1.00 0.00 O ATOM 0 H SER A 79 13.843 3.449 -8.667 1.00 0.00 H new ATOM 0 HA SER A 79 11.025 3.692 -8.228 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.832 2.264 -10.193 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.119 1.895 -10.161 1.00 0.00 H new ATOM 0 HG SER A 79 11.621 3.608 -11.641 1.00 0.00 H new ATOM 1155 N VAL A 80 10.648 1.815 -6.640 1.00 0.00 N ATOM 1156 CA VAL A 80 10.269 0.674 -5.815 1.00 0.00 C ATOM 1157 C VAL A 80 9.026 -0.015 -6.367 1.00 0.00 C ATOM 1158 O VAL A 80 8.116 0.639 -6.876 1.00 0.00 O ATOM 1159 CB VAL A 80 10.002 1.099 -4.358 1.00 0.00 C ATOM 1160 CG1 VAL A 80 9.537 -0.091 -3.532 1.00 0.00 C ATOM 1161 CG2 VAL A 80 11.247 1.727 -3.750 1.00 0.00 C ATOM 0 H VAL A 80 10.198 2.692 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 80 11.107 -0.023 -5.835 1.00 0.00 H new ATOM 0 HB VAL A 80 9.208 1.846 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.353 0.228 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.617 -0.492 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.307 -0.862 -3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.041 2.021 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.063 1.004 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.531 2.606 -4.329 1.00 0.00 H new ATOM 1171 N ILE A 81 8.996 -1.339 -6.263 1.00 0.00 N ATOM 1172 CA ILE A 81 7.864 -2.117 -6.751 1.00 0.00 C ATOM 1173 C ILE A 81 7.118 -2.785 -5.601 1.00 0.00 C ATOM 1174 O ILE A 81 7.727 -3.227 -4.626 1.00 0.00 O ATOM 1175 CB ILE A 81 8.313 -3.198 -7.752 1.00 0.00 C ATOM 1176 CG1 ILE A 81 8.734 -2.556 -9.076 1.00 0.00 C ATOM 1177 CG2 ILE A 81 7.198 -4.208 -7.978 1.00 0.00 C ATOM 1178 CD1 ILE A 81 7.602 -1.853 -9.793 1.00 0.00 C ATOM 0 H ILE A 81 9.742 -1.895 -5.845 1.00 0.00 H new ATOM 0 HA ILE A 81 7.197 -1.419 -7.257 1.00 0.00 H new ATOM 0 HB ILE A 81 9.173 -3.723 -7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.533 -1.840 -8.885 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.145 -3.326 -9.729 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.531 -4.965 -8.688 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.942 -4.685 -7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.321 -3.698 -8.376 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.973 -1.422 -10.723 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.811 -2.570 -10.015 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.206 -1.061 -9.158 1.00 0.00 H new ATOM 1190 N LEU A 82 5.797 -2.855 -5.721 1.00 0.00 N ATOM 1191 CA LEU A 82 4.967 -3.470 -4.691 1.00 0.00 C ATOM 1192 C LEU A 82 3.876 -4.335 -5.316 1.00 0.00 C ATOM 1193 O LEU A 82 3.004 -3.836 -6.027 1.00 0.00 O ATOM 1194 CB LEU A 82 4.336 -2.394 -3.806 1.00 0.00 C ATOM 1195 CG LEU A 82 5.300 -1.372 -3.202 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.534 -0.182 -2.644 1.00 0.00 C ATOM 1197 CD2 LEU A 82 6.151 -2.017 -2.119 1.00 0.00 C ATOM 0 H LEU A 82 5.278 -2.494 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 82 5.604 -4.107 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.592 -1.858 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.804 -2.887 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 82 5.962 -1.014 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.236 0.535 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.969 0.295 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.848 -0.522 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.831 -1.275 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.505 -2.403 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.728 -2.836 -2.549 1.00 0.00 H new ATOM 1209 N LYS A 83 3.930 -5.634 -5.044 1.00 0.00 N ATOM 1210 CA LYS A 83 2.946 -6.569 -5.575 1.00 0.00 C ATOM 1211 C LYS A 83 1.718 -6.638 -4.672 1.00 0.00 C ATOM 1212 O LYS A 83 1.742 -7.286 -3.626 1.00 0.00 O ATOM 1213 CB LYS A 83 3.562 -7.962 -5.723 1.00 0.00 C ATOM 1214 CG LYS A 83 2.536 -9.064 -5.922 1.00 0.00 C ATOM 1215 CD LYS A 83 3.201 -10.401 -6.202 1.00 0.00 C ATOM 1216 CE LYS A 83 2.189 -11.442 -6.656 1.00 0.00 C ATOM 1217 NZ LYS A 83 1.921 -11.355 -8.118 1.00 0.00 N ATOM 0 H LYS A 83 4.646 -6.064 -4.458 1.00 0.00 H new ATOM 0 HA LYS A 83 2.635 -6.211 -6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.248 -7.958 -6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.154 -8.184 -4.835 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.912 -9.146 -5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.877 -8.804 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.965 -10.275 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.708 -10.752 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.559 -12.438 -6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.257 -11.306 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.984 -10.931 -8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.648 -10.764 -8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.943 -12.309 -8.532 1.00 0.00 H new ATOM 1231 N ILE A 84 0.647 -5.968 -5.085 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.590 -5.957 -4.315 1.00 0.00 C ATOM 1233 C ILE A 84 -1.606 -6.937 -4.891 1.00 0.00 C ATOM 1234 O ILE A 84 -1.546 -7.289 -6.070 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.216 -4.550 -4.275 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.139 -3.496 -4.008 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.304 -4.484 -3.215 1.00 0.00 C ATOM 1238 CD1 ILE A 84 0.131 -3.268 -2.537 1.00 0.00 C ATOM 0 H ILE A 84 0.612 -5.426 -5.948 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.332 -6.260 -3.300 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.668 -4.342 -5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.786 -3.802 -4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.443 -2.554 -4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.736 -3.484 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.082 -5.212 -3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.875 -4.709 -2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.905 -2.509 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.783 -2.932 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.466 -4.199 -2.080 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.540 -7.373 -4.053 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.572 -8.312 -4.479 1.00 0.00 C ATOM 1252 C LEU A 85 -4.891 -8.031 -3.767 1.00 0.00 C ATOM 1253 O LEU A 85 -4.911 -7.448 -2.684 1.00 0.00 O ATOM 1254 CB LEU A 85 -3.126 -9.750 -4.204 1.00 0.00 C ATOM 1255 CG LEU A 85 -2.388 -10.453 -5.343 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -0.892 -10.202 -5.245 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -2.682 -11.946 -5.327 1.00 0.00 C ATOM 0 H LEU A 85 -2.604 -7.091 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.725 -8.185 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.480 -9.747 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.007 -10.340 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.743 -10.043 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.383 -10.710 -6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.698 -9.131 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.520 -10.584 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.148 -12.431 -6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.355 -12.371 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.753 -12.107 -5.447 1.00 0.00 H new ATOM 1269 N SER A 86 -5.991 -8.453 -4.383 1.00 0.00 N ATOM 1270 CA SER A 86 -7.315 -8.245 -3.809 1.00 0.00 C ATOM 1271 C SER A 86 -7.610 -9.285 -2.732 1.00 0.00 C ATOM 1272 O SER A 86 -6.752 -10.096 -2.386 1.00 0.00 O ATOM 1273 CB SER A 86 -8.384 -8.309 -4.902 1.00 0.00 C ATOM 1274 OG SER A 86 -8.626 -9.647 -5.301 1.00 0.00 O ATOM 0 H SER A 86 -5.991 -8.941 -5.279 1.00 0.00 H new ATOM 0 HA SER A 86 -7.333 -7.257 -3.350 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.309 -7.862 -4.537 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.064 -7.722 -5.763 1.00 0.00 H new ATOM 0 HG SER A 86 -9.314 -9.661 -5.999 1.00 0.00 H new