USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 521 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -102:sc= -1.2 (180deg=-4.91!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.464 USER MOD Single : A 21 SER OG : rot 138:sc= 0.184 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -11:sc= 0.727 USER MOD Single : A 47 GLN : amide:sc= -0.0264 X(o=-0.026,f=-0.028) USER MOD Single : A 61 TYR OH : rot 84:sc= 0.527 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -108:sc= -4.05! (180deg=-10.1!) USER MOD Single : A 72 HIS : no HD1:sc= -1.78 X(o=-1.8,f=-1.4) USER MOD Single : A 73 SER OG : rot 180:sc= -0.133 USER MOD Single : A 74 HIS : no HE2:sc= -9.49! C(o=-9.5!,f=-12!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 8 13.890 -2.649 2.098 1.00 0.00 N ATOM 63 CA LEU A 8 13.107 -1.426 2.160 1.00 0.00 C ATOM 64 C LEU A 8 11.819 -1.609 1.354 1.00 0.00 C ATOM 65 O LEU A 8 10.723 -1.415 1.877 1.00 0.00 O ATOM 66 CB LEU A 8 13.947 -0.229 1.713 1.00 0.00 C ATOM 67 CG LEU A 8 14.736 0.485 2.813 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.267 1.833 2.320 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.895 0.632 4.083 1.00 0.00 C ATOM 0 HA LEU A 8 12.813 -1.213 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.649 -0.567 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.286 0.496 1.238 1.00 0.00 H new ATOM 0 HG LEU A 8 15.600 -0.129 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.824 2.320 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.925 1.674 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.431 2.466 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.479 1.142 4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.000 1.213 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.606 -0.355 4.444 1.00 0.00 H new ATOM 80 N ARG A 9 11.994 -1.980 0.094 1.00 0.00 N ATOM 81 CA ARG A 9 10.861 -2.190 -0.789 1.00 0.00 C ATOM 82 C ARG A 9 10.077 -3.432 -0.359 1.00 0.00 C ATOM 83 O ARG A 9 8.848 -3.450 -0.427 1.00 0.00 O ATOM 84 CB ARG A 9 11.315 -2.360 -2.240 1.00 0.00 C ATOM 85 CG ARG A 9 10.135 -2.709 -3.147 1.00 0.00 C ATOM 86 CD ARG A 9 10.613 -3.396 -4.428 1.00 0.00 C ATOM 87 NE ARG A 9 10.766 -4.849 -4.197 1.00 0.00 N ATOM 88 CZ ARG A 9 11.369 -5.687 -5.052 1.00 0.00 C ATOM 89 NH1 ARG A 9 11.877 -5.220 -6.201 1.00 0.00 N ATOM 90 NH2 ARG A 9 11.462 -6.991 -4.759 1.00 0.00 N ATOM 0 H ARG A 9 12.905 -2.141 -0.336 1.00 0.00 H new ATOM 0 HA ARG A 9 10.222 -1.310 -0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.786 -1.440 -2.587 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.068 -3.146 -2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.444 -3.363 -2.615 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.585 -1.802 -3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.899 -3.221 -5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.564 -2.968 -4.747 1.00 0.00 H new ATOM 0 HE ARG A 9 10.389 -5.238 -3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.805 -4.227 -6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.336 -5.857 -6.852 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.074 -7.346 -3.885 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.921 -7.628 -5.410 1.00 0.00 H new ATOM 101 N LYS A 10 10.819 -4.441 0.073 1.00 0.00 N ATOM 102 CA LYS A 10 10.208 -5.684 0.513 1.00 0.00 C ATOM 103 C LYS A 10 9.396 -5.427 1.784 1.00 0.00 C ATOM 104 O LYS A 10 8.511 -6.208 2.128 1.00 0.00 O ATOM 105 CB LYS A 10 11.270 -6.775 0.673 1.00 0.00 C ATOM 106 CG LYS A 10 10.717 -7.968 1.455 1.00 0.00 C ATOM 107 CD LYS A 10 9.469 -8.536 0.777 1.00 0.00 C ATOM 108 CE LYS A 10 9.847 -9.443 -0.396 1.00 0.00 C ATOM 109 NZ LYS A 10 9.180 -10.758 -0.269 1.00 0.00 N ATOM 0 H LYS A 10 11.837 -4.423 0.128 1.00 0.00 H new ATOM 0 HA LYS A 10 9.513 -6.054 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.608 -7.105 -0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.139 -6.368 1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.479 -8.743 1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.475 -7.660 2.472 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.881 -9.099 1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.840 -7.720 0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.559 -8.972 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.928 -9.578 -0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.447 -11.362 -1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.475 -11.213 0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.149 -10.625 -0.263 1.00 0.00 H new ATOM 119 N MET A 11 9.725 -4.327 2.445 1.00 0.00 N ATOM 120 CA MET A 11 9.037 -3.956 3.670 1.00 0.00 C ATOM 121 C MET A 11 7.699 -3.280 3.364 1.00 0.00 C ATOM 122 O MET A 11 6.740 -3.419 4.121 1.00 0.00 O ATOM 123 CB MET A 11 9.917 -3.004 4.483 1.00 0.00 C ATOM 124 CG MET A 11 10.934 -3.779 5.322 1.00 0.00 C ATOM 125 SD MET A 11 10.931 -3.172 7.000 1.00 0.00 S ATOM 126 CE MET A 11 12.018 -1.767 6.823 1.00 0.00 C ATOM 0 H MET A 11 10.459 -3.681 2.155 1.00 0.00 H new ATOM 0 HA MET A 11 8.842 -4.862 4.243 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.439 -2.322 3.811 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.292 -2.393 5.135 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.692 -4.842 5.311 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.929 -3.674 4.890 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.006 -2.021 7.207 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.096 -1.498 5.770 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.616 -0.923 7.384 1.00 0.00 H new ATOM 134 N VAL A 12 7.678 -2.561 2.252 1.00 0.00 N ATOM 135 CA VAL A 12 6.474 -1.862 1.836 1.00 0.00 C ATOM 136 C VAL A 12 5.675 -2.753 0.880 1.00 0.00 C ATOM 137 O VAL A 12 4.472 -2.563 0.708 1.00 0.00 O ATOM 138 CB VAL A 12 6.839 -0.508 1.225 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.013 -0.643 0.253 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.629 0.128 0.537 1.00 0.00 C ATOM 0 H VAL A 12 8.475 -2.447 1.626 1.00 0.00 H new ATOM 0 HA VAL A 12 5.837 -1.655 2.696 1.00 0.00 H new ATOM 0 HB VAL A 12 7.149 0.152 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.252 0.334 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.882 -1.032 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.743 -1.327 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.916 1.089 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.275 -0.529 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.833 0.277 1.266 1.00 0.00 H new ATOM 150 N GLU A 13 6.379 -3.705 0.286 1.00 0.00 N ATOM 151 CA GLU A 13 5.751 -4.626 -0.647 1.00 0.00 C ATOM 152 C GLU A 13 4.573 -5.338 0.021 1.00 0.00 C ATOM 153 O GLU A 13 3.611 -5.715 -0.646 1.00 0.00 O ATOM 154 CB GLU A 13 6.765 -5.634 -1.188 1.00 0.00 C ATOM 155 CG GLU A 13 7.712 -4.974 -2.193 1.00 0.00 C ATOM 156 CD GLU A 13 7.463 -5.499 -3.609 1.00 0.00 C ATOM 157 OE1 GLU A 13 6.282 -5.486 -4.018 1.00 0.00 O ATOM 158 OE2 GLU A 13 8.458 -5.900 -4.249 1.00 0.00 O ATOM 0 H GLU A 13 7.377 -3.859 0.432 1.00 0.00 H new ATOM 0 HA GLU A 13 5.371 -4.053 -1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.340 -6.055 -0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.241 -6.462 -1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.573 -3.893 -2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.745 -5.168 -1.906 1.00 0.00 H new ATOM 163 N GLU A 14 4.688 -5.501 1.331 1.00 0.00 N ATOM 164 CA GLU A 14 3.644 -6.162 2.097 1.00 0.00 C ATOM 165 C GLU A 14 2.661 -5.130 2.653 1.00 0.00 C ATOM 166 O GLU A 14 1.458 -5.382 2.711 1.00 0.00 O ATOM 167 CB GLU A 14 4.243 -7.010 3.221 1.00 0.00 C ATOM 168 CG GLU A 14 4.549 -6.153 4.450 1.00 0.00 C ATOM 169 CD GLU A 14 5.438 -6.909 5.440 1.00 0.00 C ATOM 170 OE1 GLU A 14 6.654 -6.994 5.161 1.00 0.00 O ATOM 171 OE2 GLU A 14 4.882 -7.388 6.451 1.00 0.00 O ATOM 0 H GLU A 14 5.487 -5.187 1.881 1.00 0.00 H new ATOM 0 HA GLU A 14 3.100 -6.832 1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.548 -7.805 3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.157 -7.491 2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.044 -5.232 4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.618 -5.866 4.938 1.00 0.00 H new ATOM 176 N VAL A 15 3.208 -3.990 3.048 1.00 0.00 N ATOM 177 CA VAL A 15 2.393 -2.919 3.597 1.00 0.00 C ATOM 178 C VAL A 15 1.191 -2.679 2.682 1.00 0.00 C ATOM 179 O VAL A 15 0.065 -3.037 3.025 1.00 0.00 O ATOM 180 CB VAL A 15 3.247 -1.666 3.804 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.372 -0.458 4.143 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.306 -1.897 4.883 1.00 0.00 C ATOM 0 H VAL A 15 4.206 -3.784 2.999 1.00 0.00 H new ATOM 0 HA VAL A 15 2.005 -3.197 4.577 1.00 0.00 H new ATOM 0 HB VAL A 15 3.764 -1.453 2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.003 0.420 4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.673 -0.274 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.816 -0.657 5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.899 -0.991 5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.817 -2.146 5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.957 -2.718 4.584 1.00 0.00 H new ATOM 192 N PHE A 16 1.469 -2.075 1.536 1.00 0.00 N ATOM 193 CA PHE A 16 0.425 -1.782 0.570 1.00 0.00 C ATOM 194 C PHE A 16 -0.520 -2.975 0.407 1.00 0.00 C ATOM 195 O PHE A 16 -1.734 -2.800 0.307 1.00 0.00 O ATOM 196 CB PHE A 16 1.116 -1.508 -0.767 1.00 0.00 C ATOM 197 CG PHE A 16 1.734 -0.112 -0.872 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.084 0.961 -0.349 1.00 0.00 C ATOM 199 CD2 PHE A 16 2.934 0.054 -1.491 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.659 2.256 -0.447 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.508 1.349 -1.590 1.00 0.00 C ATOM 202 CZ PHE A 16 2.858 2.422 -1.065 1.00 0.00 C ATOM 0 H PHE A 16 2.404 -1.780 1.255 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.164 -0.928 0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.897 -2.253 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.392 -1.635 -1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.131 0.829 0.141 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.450 -0.799 -1.907 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.143 3.109 -0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.460 1.482 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.295 3.407 -1.139 1.00 0.00 H new ATOM 211 N ASP A 17 0.072 -4.160 0.386 1.00 0.00 N ATOM 212 CA ASP A 17 -0.702 -5.381 0.237 1.00 0.00 C ATOM 213 C ASP A 17 -1.624 -5.546 1.447 1.00 0.00 C ATOM 214 O ASP A 17 -2.829 -5.739 1.291 1.00 0.00 O ATOM 215 CB ASP A 17 0.212 -6.607 0.167 1.00 0.00 C ATOM 216 CG ASP A 17 0.756 -6.929 -1.226 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.446 -6.147 -2.151 1.00 0.00 O ATOM 218 OD2 ASP A 17 1.468 -7.950 -1.335 1.00 0.00 O ATOM 0 H ASP A 17 1.079 -4.301 0.470 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.276 -5.306 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.053 -6.453 0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.338 -7.473 0.535 1.00 0.00 H new ATOM 222 N VAL A 18 -1.022 -5.464 2.625 1.00 0.00 N ATOM 223 CA VAL A 18 -1.774 -5.602 3.860 1.00 0.00 C ATOM 224 C VAL A 18 -2.902 -4.569 3.884 1.00 0.00 C ATOM 225 O VAL A 18 -4.077 -4.928 3.916 1.00 0.00 O ATOM 226 CB VAL A 18 -0.833 -5.489 5.060 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.606 -5.128 6.331 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.032 -6.778 5.253 1.00 0.00 C ATOM 0 H VAL A 18 -0.022 -5.304 2.750 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.236 -6.588 3.918 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.127 -4.684 4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.913 -5.054 7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.110 -4.172 6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.346 -5.901 6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.629 -6.670 6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.716 -7.609 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.563 -6.974 4.361 1.00 0.00 H new ATOM 238 N LEU A 19 -2.503 -3.305 3.869 1.00 0.00 N ATOM 239 CA LEU A 19 -3.465 -2.217 3.888 1.00 0.00 C ATOM 240 C LEU A 19 -4.598 -2.525 2.908 1.00 0.00 C ATOM 241 O LEU A 19 -5.771 -2.481 3.274 1.00 0.00 O ATOM 242 CB LEU A 19 -2.769 -0.881 3.622 1.00 0.00 C ATOM 243 CG LEU A 19 -1.565 -0.563 4.512 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.142 0.899 4.361 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.850 -0.929 5.970 1.00 0.00 C ATOM 0 H LEU A 19 -1.527 -3.011 3.844 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.915 -2.125 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.442 -0.865 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.502 -0.083 3.738 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.726 -1.176 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.285 1.098 5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.870 1.094 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.969 1.549 4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.979 -0.693 6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.708 -0.360 6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.066 -1.995 6.042 1.00 0.00 H new ATOM 256 N TYR A 20 -4.207 -2.830 1.678 1.00 0.00 N ATOM 257 CA TYR A 20 -5.175 -3.146 0.642 1.00 0.00 C ATOM 258 C TYR A 20 -6.115 -4.267 1.092 1.00 0.00 C ATOM 259 O TYR A 20 -7.335 -4.120 1.033 1.00 0.00 O ATOM 260 CB TYR A 20 -4.362 -3.631 -0.560 1.00 0.00 C ATOM 261 CG TYR A 20 -5.217 -4.091 -1.744 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.241 -3.291 -2.207 1.00 0.00 C ATOM 263 CD2 TYR A 20 -4.961 -5.305 -2.349 1.00 0.00 C ATOM 264 CE1 TYR A 20 -7.045 -3.724 -3.321 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.764 -5.737 -3.462 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.766 -4.925 -3.894 1.00 0.00 C ATOM 267 OH TYR A 20 -7.526 -5.333 -4.946 1.00 0.00 O ATOM 0 H TYR A 20 -3.233 -2.865 1.377 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.787 -2.274 0.410 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.705 -2.826 -0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.722 -4.455 -0.245 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.440 -2.340 -1.734 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.158 -5.930 -1.987 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.851 -3.109 -3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.575 -6.685 -3.944 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.213 -6.209 -5.256 1.00 0.00 H new ATOM 276 N SER A 21 -5.512 -5.361 1.533 1.00 0.00 N ATOM 277 CA SER A 21 -6.279 -6.505 1.992 1.00 0.00 C ATOM 278 C SER A 21 -7.163 -6.101 3.174 1.00 0.00 C ATOM 279 O SER A 21 -8.273 -6.611 3.327 1.00 0.00 O ATOM 280 CB SER A 21 -5.359 -7.662 2.390 1.00 0.00 C ATOM 281 OG SER A 21 -6.075 -8.885 2.541 1.00 0.00 O ATOM 0 H SER A 21 -4.500 -5.479 1.582 1.00 0.00 H new ATOM 0 HA SER A 21 -6.911 -6.844 1.171 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.584 -7.786 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.855 -7.419 3.325 1.00 0.00 H new ATOM 0 HG SER A 21 -5.560 -9.617 2.141 1.00 0.00 H new ATOM 286 N GLU A 22 -6.639 -5.189 3.980 1.00 0.00 N ATOM 287 CA GLU A 22 -7.368 -4.710 5.142 1.00 0.00 C ATOM 288 C GLU A 22 -8.641 -3.982 4.709 1.00 0.00 C ATOM 289 O GLU A 22 -9.715 -4.218 5.261 1.00 0.00 O ATOM 290 CB GLU A 22 -6.487 -3.807 6.007 1.00 0.00 C ATOM 291 CG GLU A 22 -5.491 -4.632 6.825 1.00 0.00 C ATOM 292 CD GLU A 22 -6.217 -5.651 7.707 1.00 0.00 C ATOM 293 OE1 GLU A 22 -6.640 -5.246 8.811 1.00 0.00 O ATOM 294 OE2 GLU A 22 -6.330 -6.811 7.258 1.00 0.00 O ATOM 0 H GLU A 22 -5.718 -4.769 3.851 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.654 -5.571 5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.947 -3.104 5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.112 -3.217 6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.805 -5.149 6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.890 -3.970 7.448 1.00 0.00 H new ATOM 299 N ALA A 23 -8.481 -3.112 3.723 1.00 0.00 N ATOM 300 CA ALA A 23 -9.604 -2.348 3.208 1.00 0.00 C ATOM 301 C ALA A 23 -10.531 -3.277 2.423 1.00 0.00 C ATOM 302 O ALA A 23 -11.735 -3.037 2.343 1.00 0.00 O ATOM 303 CB ALA A 23 -9.085 -1.187 2.357 1.00 0.00 C ATOM 0 H ALA A 23 -7.589 -2.919 3.267 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.183 -1.919 4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.928 -0.614 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.456 -0.540 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.501 -1.579 1.524 1.00 0.00 H new ATOM 309 N LEU A 24 -9.935 -4.319 1.863 1.00 0.00 N ATOM 310 CA LEU A 24 -10.692 -5.287 1.087 1.00 0.00 C ATOM 311 C LEU A 24 -11.449 -6.217 2.037 1.00 0.00 C ATOM 312 O LEU A 24 -12.461 -6.806 1.659 1.00 0.00 O ATOM 313 CB LEU A 24 -9.777 -6.022 0.106 1.00 0.00 C ATOM 314 CG LEU A 24 -9.897 -5.609 -1.362 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.809 -6.271 -2.210 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.299 -5.900 -1.902 1.00 0.00 C ATOM 0 H LEU A 24 -8.936 -4.514 1.931 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.438 -4.782 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.744 -5.872 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.981 -7.090 0.180 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.744 -4.532 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.918 -5.960 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.828 -5.971 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.905 -7.355 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.356 -5.597 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.505 -6.967 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.035 -5.344 -1.322 1.00 0.00 H new ATOM 327 N GLY A 25 -10.929 -6.321 3.251 1.00 0.00 N ATOM 328 CA GLY A 25 -11.543 -7.169 4.258 1.00 0.00 C ATOM 329 C GLY A 25 -11.410 -8.647 3.884 1.00 0.00 C ATOM 330 O GLY A 25 -12.365 -9.412 4.011 1.00 0.00 O ATOM 0 H GLY A 25 -10.089 -5.832 3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.072 -6.991 5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.597 -6.910 4.364 1.00 0.00 H new ATOM 334 N ARG A 26 -10.218 -9.006 3.430 1.00 0.00 N ATOM 335 CA ARG A 26 -9.948 -10.377 3.038 1.00 0.00 C ATOM 336 C ARG A 26 -9.269 -11.134 4.181 1.00 0.00 C ATOM 337 O ARG A 26 -8.900 -10.537 5.192 1.00 0.00 O ATOM 338 CB ARG A 26 -9.052 -10.430 1.798 1.00 0.00 C ATOM 339 CG ARG A 26 -9.749 -9.798 0.591 1.00 0.00 C ATOM 340 CD ARG A 26 -10.269 -10.873 -0.366 1.00 0.00 C ATOM 341 NE ARG A 26 -11.745 -10.942 -0.294 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.475 -11.952 -0.787 1.00 0.00 C ATOM 343 NH1 ARG A 26 -11.870 -12.984 -1.390 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.811 -11.930 -0.677 1.00 0.00 N ATOM 0 H ARG A 26 -9.428 -8.369 3.325 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.903 -10.847 2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.117 -9.907 1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.796 -11.466 1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.577 -9.176 0.929 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.053 -9.144 0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.956 -10.646 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.838 -11.841 -0.108 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.238 -10.173 0.159 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.854 -13.001 -1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.426 -13.753 -1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.272 -11.144 -0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.366 -12.699 -1.052 1.00 0.00 H new ATOM 355 N ALA A 27 -9.124 -12.436 3.984 1.00 0.00 N ATOM 356 CA ALA A 27 -8.496 -13.280 4.986 1.00 0.00 C ATOM 357 C ALA A 27 -6.996 -13.376 4.698 1.00 0.00 C ATOM 358 O ALA A 27 -6.177 -13.223 5.603 1.00 0.00 O ATOM 359 CB ALA A 27 -9.176 -14.650 4.999 1.00 0.00 C ATOM 0 H ALA A 27 -9.431 -12.927 3.145 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.614 -12.848 5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.705 -15.283 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.233 -14.529 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.076 -15.115 4.018 1.00 0.00 H new ATOM 365 N SER A 28 -6.683 -13.627 3.436 1.00 0.00 N ATOM 366 CA SER A 28 -5.296 -13.746 3.018 1.00 0.00 C ATOM 367 C SER A 28 -4.796 -12.403 2.479 1.00 0.00 C ATOM 368 O SER A 28 -5.590 -11.574 2.036 1.00 0.00 O ATOM 369 CB SER A 28 -5.131 -14.838 1.960 1.00 0.00 C ATOM 370 OG SER A 28 -5.839 -16.025 2.304 1.00 0.00 O ATOM 0 H SER A 28 -7.366 -13.751 2.689 1.00 0.00 H new ATOM 0 HA SER A 28 -4.699 -14.027 3.886 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.488 -14.468 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.073 -15.069 1.839 1.00 0.00 H new ATOM 0 HG SER A 28 -5.710 -16.698 1.603 1.00 0.00 H new ATOM 375 N VAL A 29 -3.484 -12.232 2.533 1.00 0.00 N ATOM 376 CA VAL A 29 -2.869 -11.006 2.056 1.00 0.00 C ATOM 377 C VAL A 29 -2.705 -11.080 0.537 1.00 0.00 C ATOM 378 O VAL A 29 -1.882 -11.844 0.034 1.00 0.00 O ATOM 379 CB VAL A 29 -1.547 -10.763 2.789 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.838 -9.523 2.242 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.771 -10.646 4.298 1.00 0.00 C ATOM 0 H VAL A 29 -2.829 -12.923 2.900 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.508 -10.150 2.273 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.902 -11.623 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.098 -9.372 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.629 -9.662 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.477 -8.650 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.816 -10.474 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.442 -9.812 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.214 -11.569 4.673 1.00 0.00 H new ATOM 391 N VAL A 30 -3.502 -10.276 -0.152 1.00 0.00 N ATOM 392 CA VAL A 30 -3.455 -10.241 -1.604 1.00 0.00 C ATOM 393 C VAL A 30 -2.498 -9.135 -2.053 1.00 0.00 C ATOM 394 O VAL A 30 -2.258 -8.181 -1.316 1.00 0.00 O ATOM 395 CB VAL A 30 -4.867 -10.077 -2.169 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.632 -11.401 -2.128 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.631 -8.980 -1.425 1.00 0.00 C ATOM 0 H VAL A 30 -4.184 -9.644 0.268 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.070 -11.182 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.777 -9.775 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.633 -11.256 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.103 -12.146 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.707 -11.746 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.632 -8.884 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.705 -9.240 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.101 -8.033 -1.529 1.00 0.00 H new ATOM 407 N PRO A 31 -1.967 -9.304 -3.293 1.00 0.00 N ATOM 408 CA PRO A 31 -1.041 -8.330 -3.850 1.00 0.00 C ATOM 409 C PRO A 31 -1.780 -7.068 -4.300 1.00 0.00 C ATOM 410 O PRO A 31 -3.009 -7.028 -4.294 1.00 0.00 O ATOM 411 CB PRO A 31 -0.350 -9.054 -4.994 1.00 0.00 C ATOM 412 CG PRO A 31 -1.236 -10.242 -5.332 1.00 0.00 C ATOM 413 CD PRO A 31 -2.230 -10.421 -4.196 1.00 0.00 C ATOM 0 HA PRO A 31 -0.311 -7.978 -3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.231 -8.398 -5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.648 -9.382 -4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.759 -10.073 -6.273 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.635 -11.142 -5.459 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.257 -10.401 -4.562 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.089 -11.378 -3.694 1.00 0.00 H new ATOM 418 N LEU A 32 -0.998 -6.068 -4.681 1.00 0.00 N ATOM 419 CA LEU A 32 -1.563 -4.808 -5.133 1.00 0.00 C ATOM 420 C LEU A 32 -1.218 -4.601 -6.609 1.00 0.00 C ATOM 421 O LEU A 32 -0.093 -4.228 -6.942 1.00 0.00 O ATOM 422 CB LEU A 32 -1.107 -3.662 -4.229 1.00 0.00 C ATOM 423 CG LEU A 32 -1.339 -2.249 -4.768 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.713 -2.134 -5.430 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.143 -1.203 -3.669 1.00 0.00 C ATOM 0 H LEU A 32 0.021 -6.105 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.650 -4.829 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.622 -3.754 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.042 -3.784 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.593 -2.050 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.853 -1.120 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.778 -2.839 -6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.489 -2.361 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.314 -0.208 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.850 -1.388 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.125 -1.267 -3.283 1.00 0.00 H new ATOM 436 N PRO A 33 -2.232 -4.859 -7.478 1.00 0.00 N ATOM 437 CA PRO A 33 -2.047 -4.705 -8.911 1.00 0.00 C ATOM 438 C PRO A 33 -2.037 -3.226 -9.307 1.00 0.00 C ATOM 439 O PRO A 33 -3.026 -2.714 -9.829 1.00 0.00 O ATOM 440 CB PRO A 33 -3.192 -5.480 -9.541 1.00 0.00 C ATOM 441 CG PRO A 33 -4.234 -5.649 -8.446 1.00 0.00 C ATOM 442 CD PRO A 33 -3.576 -5.301 -7.121 1.00 0.00 C ATOM 0 HA PRO A 33 -1.087 -5.089 -9.255 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.605 -4.941 -10.394 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.852 -6.448 -9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.090 -5.000 -8.630 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.608 -6.673 -8.429 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.125 -4.517 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.545 -6.164 -6.456 1.00 0.00 H new ATOM 447 N TYR A 34 -0.909 -2.584 -9.043 1.00 0.00 N ATOM 448 CA TYR A 34 -0.758 -1.175 -9.365 1.00 0.00 C ATOM 449 C TYR A 34 -1.121 -0.904 -10.827 1.00 0.00 C ATOM 450 O TYR A 34 -1.950 -0.043 -11.114 1.00 0.00 O ATOM 451 CB TYR A 34 0.722 -0.851 -9.152 1.00 0.00 C ATOM 452 CG TYR A 34 1.189 -1.000 -7.702 1.00 0.00 C ATOM 453 CD1 TYR A 34 0.932 0.000 -6.787 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.868 -2.136 -7.311 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.371 -0.140 -5.424 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.308 -2.277 -5.946 1.00 0.00 C ATOM 457 CZ TYR A 34 2.038 -1.273 -5.070 1.00 0.00 C ATOM 458 OH TYR A 34 2.453 -1.405 -3.782 1.00 0.00 O ATOM 0 H TYR A 34 -0.091 -3.013 -8.610 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.414 -0.567 -8.742 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.321 -1.505 -9.785 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.911 0.171 -9.481 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.401 0.889 -7.094 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.069 -2.919 -8.027 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.176 0.636 -4.698 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.840 -3.161 -5.626 1.00 0.00 H new ATOM 0 HH TYR A 34 2.351 -0.549 -3.316 1.00 0.00 H new ATOM 467 N GLU A 35 -0.483 -1.658 -11.711 1.00 0.00 N ATOM 468 CA GLU A 35 -0.729 -1.509 -13.135 1.00 0.00 C ATOM 469 C GLU A 35 -2.218 -1.267 -13.395 1.00 0.00 C ATOM 470 O GLU A 35 -2.581 -0.590 -14.355 1.00 0.00 O ATOM 471 CB GLU A 35 -0.229 -2.732 -13.908 1.00 0.00 C ATOM 472 CG GLU A 35 -0.966 -3.998 -13.466 1.00 0.00 C ATOM 473 CD GLU A 35 -0.347 -5.243 -14.104 1.00 0.00 C ATOM 474 OE1 GLU A 35 0.716 -5.670 -13.603 1.00 0.00 O ATOM 475 OE2 GLU A 35 -0.950 -5.741 -15.078 1.00 0.00 O ATOM 0 H GLU A 35 0.203 -2.373 -11.469 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.173 -0.642 -13.491 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.375 -2.576 -14.977 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.842 -2.855 -13.747 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.929 -4.085 -12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.018 -3.927 -13.744 1.00 0.00 H new ATOM 480 N ARG A 36 -3.038 -1.834 -12.522 1.00 0.00 N ATOM 481 CA ARG A 36 -4.477 -1.688 -12.645 1.00 0.00 C ATOM 482 C ARG A 36 -4.965 -0.507 -11.803 1.00 0.00 C ATOM 483 O ARG A 36 -5.412 0.503 -12.345 1.00 0.00 O ATOM 484 CB ARG A 36 -5.201 -2.960 -12.194 1.00 0.00 C ATOM 485 CG ARG A 36 -5.121 -4.045 -13.268 1.00 0.00 C ATOM 486 CD ARG A 36 -6.404 -4.879 -13.302 1.00 0.00 C ATOM 487 NE ARG A 36 -6.103 -6.285 -12.954 1.00 0.00 N ATOM 488 CZ ARG A 36 -5.505 -7.153 -13.780 1.00 0.00 C ATOM 489 NH1 ARG A 36 -5.139 -6.764 -15.009 1.00 0.00 N ATOM 490 NH2 ARG A 36 -5.271 -8.409 -13.379 1.00 0.00 N ATOM 0 H ARG A 36 -2.732 -2.395 -11.727 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.703 -1.508 -13.696 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.758 -3.326 -11.268 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.245 -2.732 -11.979 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.956 -3.586 -14.243 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.267 -4.693 -13.072 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.132 -4.470 -12.601 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.854 -4.829 -14.294 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.368 -6.614 -12.026 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.316 -5.807 -15.315 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.683 -7.425 -15.639 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.548 -8.706 -12.443 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.815 -9.069 -14.009 1.00 0.00 H new ATOM 501 N LEU A 37 -4.863 -0.673 -10.493 1.00 0.00 N ATOM 502 CA LEU A 37 -5.288 0.367 -9.571 1.00 0.00 C ATOM 503 C LEU A 37 -4.819 1.727 -10.092 1.00 0.00 C ATOM 504 O LEU A 37 -5.501 2.734 -9.911 1.00 0.00 O ATOM 505 CB LEU A 37 -4.808 0.054 -8.152 1.00 0.00 C ATOM 506 CG LEU A 37 -5.148 -1.340 -7.622 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.304 -1.324 -6.099 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.389 -1.904 -8.319 1.00 0.00 C ATOM 0 H LEU A 37 -4.492 -1.512 -10.047 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.376 0.404 -9.514 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.726 0.179 -8.120 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.235 0.793 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.317 -2.006 -7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.546 -2.327 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.372 -0.994 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.106 -0.640 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.609 -2.896 -7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.238 -1.245 -8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.204 -1.973 -9.391 1.00 0.00 H new ATOM 519 N LEU A 38 -3.657 1.712 -10.731 1.00 0.00 N ATOM 520 CA LEU A 38 -3.089 2.932 -11.279 1.00 0.00 C ATOM 521 C LEU A 38 -4.002 3.460 -12.389 1.00 0.00 C ATOM 522 O LEU A 38 -4.347 4.640 -12.404 1.00 0.00 O ATOM 523 CB LEU A 38 -1.647 2.696 -11.730 1.00 0.00 C ATOM 524 CG LEU A 38 -0.634 2.415 -10.617 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.681 1.887 -11.193 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.420 3.654 -9.746 1.00 0.00 C ATOM 0 H LEU A 38 -3.094 0.875 -10.881 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.036 3.706 -10.513 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.637 1.856 -12.424 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.313 3.572 -12.286 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.041 1.634 -9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.383 1.696 -10.381 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.494 0.961 -11.737 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.104 2.628 -11.872 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.304 3.428 -8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.045 4.471 -10.362 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.366 3.947 -9.291 1.00 0.00 H new ATOM 537 N ARG A 39 -4.365 2.559 -13.290 1.00 0.00 N ATOM 538 CA ARG A 39 -5.230 2.919 -14.401 1.00 0.00 C ATOM 539 C ARG A 39 -6.483 3.632 -13.888 1.00 0.00 C ATOM 540 O ARG A 39 -6.841 4.699 -14.383 1.00 0.00 O ATOM 541 CB ARG A 39 -5.647 1.681 -15.199 1.00 0.00 C ATOM 542 CG ARG A 39 -6.602 2.057 -16.332 1.00 0.00 C ATOM 543 CD ARG A 39 -8.002 1.491 -16.080 1.00 0.00 C ATOM 544 NE ARG A 39 -8.768 1.451 -17.346 1.00 0.00 N ATOM 545 CZ ARG A 39 -8.465 0.660 -18.383 1.00 0.00 C ATOM 546 NH1 ARG A 39 -7.409 -0.162 -18.313 1.00 0.00 N ATOM 547 NH2 ARG A 39 -9.217 0.691 -19.491 1.00 0.00 N ATOM 0 H ARG A 39 -4.076 1.581 -13.274 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.669 3.587 -15.055 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.763 1.194 -15.610 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.128 0.962 -14.536 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.655 3.142 -16.422 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.217 1.677 -17.278 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.927 0.488 -15.659 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.525 2.106 -15.348 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.578 2.065 -17.434 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.836 -0.185 -17.470 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.178 -0.764 -19.103 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.020 1.317 -19.545 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.986 0.088 -20.281 1.00 0.00 H new ATOM 558 N GLU A 40 -7.116 3.012 -12.902 1.00 0.00 N ATOM 559 CA GLU A 40 -8.322 3.574 -12.317 1.00 0.00 C ATOM 560 C GLU A 40 -8.071 3.967 -10.860 1.00 0.00 C ATOM 561 O GLU A 40 -8.033 3.109 -9.979 1.00 0.00 O ATOM 562 CB GLU A 40 -9.492 2.595 -12.427 1.00 0.00 C ATOM 563 CG GLU A 40 -8.994 1.151 -12.505 1.00 0.00 C ATOM 564 CD GLU A 40 -10.160 0.176 -12.680 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.276 0.546 -12.255 1.00 0.00 O ATOM 566 OE2 GLU A 40 -9.910 -0.916 -13.234 1.00 0.00 O ATOM 0 H GLU A 40 -6.816 2.127 -12.494 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.589 4.472 -12.874 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.149 2.710 -11.565 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.083 2.828 -13.313 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.300 1.047 -13.339 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.442 0.904 -11.598 1.00 0.00 H new ATOM 571 N PRO A 41 -7.903 5.300 -10.644 1.00 0.00 N ATOM 572 CA PRO A 41 -7.657 5.816 -9.309 1.00 0.00 C ATOM 573 C PRO A 41 -8.938 5.808 -8.473 1.00 0.00 C ATOM 574 O PRO A 41 -8.884 5.708 -7.249 1.00 0.00 O ATOM 575 CB PRO A 41 -7.098 7.213 -9.524 1.00 0.00 C ATOM 576 CG PRO A 41 -7.484 7.603 -10.942 1.00 0.00 C ATOM 577 CD PRO A 41 -7.942 6.344 -11.663 1.00 0.00 C ATOM 0 HA PRO A 41 -6.955 5.202 -8.744 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.511 7.915 -8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.016 7.224 -9.397 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.280 8.347 -10.930 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.636 8.052 -11.459 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.946 6.463 -12.070 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.286 6.106 -12.500 1.00 0.00 H new ATOM 582 N GLY A 42 -10.061 5.914 -9.169 1.00 0.00 N ATOM 583 CA GLY A 42 -11.354 5.919 -8.506 1.00 0.00 C ATOM 584 C GLY A 42 -11.663 4.552 -7.894 1.00 0.00 C ATOM 585 O GLY A 42 -12.397 4.458 -6.911 1.00 0.00 O ATOM 0 H GLY A 42 -10.102 5.997 -10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.364 6.681 -7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.132 6.185 -9.221 1.00 0.00 H new ATOM 589 N LEU A 43 -11.086 3.524 -8.499 1.00 0.00 N ATOM 590 CA LEU A 43 -11.290 2.166 -8.026 1.00 0.00 C ATOM 591 C LEU A 43 -10.706 2.028 -6.618 1.00 0.00 C ATOM 592 O LEU A 43 -11.318 1.411 -5.747 1.00 0.00 O ATOM 593 CB LEU A 43 -10.723 1.159 -9.028 1.00 0.00 C ATOM 594 CG LEU A 43 -11.197 -0.287 -8.867 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.609 -0.466 -9.429 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.202 -1.264 -9.498 1.00 0.00 C ATOM 0 H LEU A 43 -10.477 3.605 -9.313 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.355 1.944 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.978 1.494 -10.033 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.636 1.175 -8.953 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.242 -0.515 -7.802 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.922 -1.502 -9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.298 0.189 -8.896 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.613 -0.213 -10.489 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.563 -2.284 -9.370 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.102 -1.046 -10.561 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.231 -1.159 -9.013 1.00 0.00 H new ATOM 607 N LEU A 44 -9.532 2.613 -6.439 1.00 0.00 N ATOM 608 CA LEU A 44 -8.860 2.563 -5.151 1.00 0.00 C ATOM 609 C LEU A 44 -7.895 3.745 -5.039 1.00 0.00 C ATOM 610 O LEU A 44 -6.900 3.810 -5.759 1.00 0.00 O ATOM 611 CB LEU A 44 -8.191 1.202 -4.949 1.00 0.00 C ATOM 612 CG LEU A 44 -7.120 1.137 -3.859 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.583 1.857 -2.590 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.709 -0.310 -3.579 1.00 0.00 C ATOM 0 H LEU A 44 -9.028 3.124 -7.164 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.582 2.661 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.964 0.470 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.739 0.898 -5.893 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.234 1.659 -4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.803 1.795 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.785 2.903 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.491 1.386 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.947 -0.327 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.579 -0.878 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.309 -0.757 -4.489 1.00 0.00 H new ATOM 625 N ALA A 45 -8.223 4.651 -4.128 1.00 0.00 N ATOM 626 CA ALA A 45 -7.398 5.827 -3.912 1.00 0.00 C ATOM 627 C ALA A 45 -6.517 5.607 -2.681 1.00 0.00 C ATOM 628 O ALA A 45 -6.991 5.126 -1.653 1.00 0.00 O ATOM 629 CB ALA A 45 -8.293 7.061 -3.776 1.00 0.00 C ATOM 0 H ALA A 45 -9.049 4.594 -3.532 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.739 5.995 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.674 7.943 -3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.876 7.190 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.967 6.930 -2.929 1.00 0.00 H new ATOM 635 N VAL A 46 -5.251 5.970 -2.825 1.00 0.00 N ATOM 636 CA VAL A 46 -4.299 5.819 -1.738 1.00 0.00 C ATOM 637 C VAL A 46 -4.163 7.149 -0.996 1.00 0.00 C ATOM 638 O VAL A 46 -3.798 8.161 -1.591 1.00 0.00 O ATOM 639 CB VAL A 46 -2.967 5.295 -2.278 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.989 5.004 -1.137 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.176 4.057 -3.150 1.00 0.00 C ATOM 0 H VAL A 46 -4.862 6.369 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.655 5.082 -1.018 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.531 6.074 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.050 4.633 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.802 5.919 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.417 4.252 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.213 3.706 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.646 3.271 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.818 4.310 -3.993 1.00 0.00 H new ATOM 651 N GLN A 47 -4.465 7.104 0.294 1.00 0.00 N ATOM 652 CA GLN A 47 -4.381 8.295 1.123 1.00 0.00 C ATOM 653 C GLN A 47 -3.386 8.076 2.265 1.00 0.00 C ATOM 654 O GLN A 47 -2.973 6.948 2.526 1.00 0.00 O ATOM 655 CB GLN A 47 -5.758 8.685 1.663 1.00 0.00 C ATOM 656 CG GLN A 47 -6.643 9.249 0.551 1.00 0.00 C ATOM 657 CD GLN A 47 -6.376 10.741 0.341 1.00 0.00 C ATOM 658 OE1 GLN A 47 -6.542 11.559 1.231 1.00 0.00 O ATOM 659 NE2 GLN A 47 -5.954 11.049 -0.882 1.00 0.00 N ATOM 0 H GLN A 47 -4.768 6.263 0.785 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.022 9.119 0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.238 7.814 2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.646 9.426 2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.456 8.708 -0.377 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.692 9.096 0.803 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.836 10.315 -1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.748 12.019 -1.121 1.00 0.00 H new ATOM 666 N GLY A 48 -3.030 9.174 2.915 1.00 0.00 N ATOM 667 CA GLY A 48 -2.091 9.117 4.022 1.00 0.00 C ATOM 668 C GLY A 48 -0.699 8.709 3.541 1.00 0.00 C ATOM 669 O GLY A 48 0.063 8.088 4.282 1.00 0.00 O ATOM 0 H GLY A 48 -3.375 10.109 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.040 10.090 4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.445 8.405 4.767 1.00 0.00 H new ATOM 673 N LEU A 49 -0.406 9.073 2.301 1.00 0.00 N ATOM 674 CA LEU A 49 0.883 8.752 1.710 1.00 0.00 C ATOM 675 C LEU A 49 1.948 9.689 2.284 1.00 0.00 C ATOM 676 O LEU A 49 1.623 10.705 2.894 1.00 0.00 O ATOM 677 CB LEU A 49 0.794 8.783 0.184 1.00 0.00 C ATOM 678 CG LEU A 49 0.427 7.461 -0.494 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.162 7.703 -1.885 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.627 6.513 -0.536 1.00 0.00 C ATOM 0 H LEU A 49 -1.039 9.587 1.689 1.00 0.00 H new ATOM 0 HA LEU A 49 1.179 7.735 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.056 9.532 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.755 9.116 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.345 6.975 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.414 6.747 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.062 8.312 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.569 8.222 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.338 5.582 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.439 6.978 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.960 6.303 0.480 1.00 0.00 H new ATOM 691 N PRO A 50 3.233 9.301 2.061 1.00 0.00 N ATOM 692 CA PRO A 50 4.348 10.095 2.548 1.00 0.00 C ATOM 693 C PRO A 50 4.543 11.351 1.696 1.00 0.00 C ATOM 694 O PRO A 50 4.980 11.265 0.549 1.00 0.00 O ATOM 695 CB PRO A 50 5.545 9.158 2.506 1.00 0.00 C ATOM 696 CG PRO A 50 5.157 8.028 1.567 1.00 0.00 C ATOM 697 CD PRO A 50 3.655 8.103 1.341 1.00 0.00 C ATOM 0 HA PRO A 50 4.186 10.471 3.558 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.434 9.676 2.147 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.778 8.777 3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.690 8.118 0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.431 7.064 1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.417 8.174 0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.152 7.214 1.722 1.00 0.00 H new ATOM 702 N GLU A 51 4.208 12.487 2.289 1.00 0.00 N ATOM 703 CA GLU A 51 4.339 13.758 1.598 1.00 0.00 C ATOM 704 C GLU A 51 5.566 13.741 0.684 1.00 0.00 C ATOM 705 O GLU A 51 6.593 13.159 1.028 1.00 0.00 O ATOM 706 CB GLU A 51 4.414 14.917 2.593 1.00 0.00 C ATOM 707 CG GLU A 51 3.090 15.085 3.340 1.00 0.00 C ATOM 708 CD GLU A 51 3.059 16.404 4.114 1.00 0.00 C ATOM 709 OE1 GLU A 51 3.932 17.251 3.826 1.00 0.00 O ATOM 710 OE2 GLU A 51 2.165 16.536 4.977 1.00 0.00 O ATOM 0 H GLU A 51 3.846 12.554 3.240 1.00 0.00 H new ATOM 0 HA GLU A 51 3.453 13.907 0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.218 14.737 3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.657 15.839 2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.263 15.056 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.949 14.252 4.029 1.00 0.00 H new ATOM 715 N GLY A 52 5.417 14.387 -0.464 1.00 0.00 N ATOM 716 CA GLY A 52 6.500 14.452 -1.431 1.00 0.00 C ATOM 717 C GLY A 52 6.727 13.093 -2.093 1.00 0.00 C ATOM 718 O GLY A 52 7.841 12.569 -2.080 1.00 0.00 O ATOM 0 H GLY A 52 4.564 14.869 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.268 15.197 -2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.415 14.777 -0.936 1.00 0.00 H new ATOM 722 N LEU A 53 5.654 12.558 -2.657 1.00 0.00 N ATOM 723 CA LEU A 53 5.723 11.269 -3.324 1.00 0.00 C ATOM 724 C LEU A 53 4.509 11.110 -4.242 1.00 0.00 C ATOM 725 O LEU A 53 3.770 12.066 -4.473 1.00 0.00 O ATOM 726 CB LEU A 53 5.871 10.143 -2.298 1.00 0.00 C ATOM 727 CG LEU A 53 7.301 9.687 -2.004 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.309 8.429 -1.136 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.093 9.495 -3.299 1.00 0.00 C ATOM 0 H LEU A 53 4.732 12.994 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 53 6.610 11.212 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.415 10.468 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.301 9.282 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 53 7.799 10.473 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.338 8.127 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.808 8.636 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.787 7.625 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.106 9.171 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.605 8.740 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.132 10.438 -3.845 1.00 0.00 H new ATOM 740 N ALA A 54 4.339 9.893 -4.740 1.00 0.00 N ATOM 741 CA ALA A 54 3.228 9.596 -5.627 1.00 0.00 C ATOM 742 C ALA A 54 2.901 8.103 -5.546 1.00 0.00 C ATOM 743 O ALA A 54 3.803 7.270 -5.467 1.00 0.00 O ATOM 744 CB ALA A 54 3.576 10.040 -7.049 1.00 0.00 C ATOM 0 H ALA A 54 4.953 9.102 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 54 2.337 10.146 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.742 9.817 -7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.770 11.112 -7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.464 9.507 -7.389 1.00 0.00 H new ATOM 750 N PHE A 55 1.609 7.811 -5.568 1.00 0.00 N ATOM 751 CA PHE A 55 1.153 6.434 -5.498 1.00 0.00 C ATOM 752 C PHE A 55 1.722 5.608 -6.654 1.00 0.00 C ATOM 753 O PHE A 55 1.325 5.787 -7.804 1.00 0.00 O ATOM 754 CB PHE A 55 -0.373 6.462 -5.610 1.00 0.00 C ATOM 755 CG PHE A 55 -1.006 5.088 -5.837 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.660 4.040 -5.042 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.914 4.914 -6.835 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.248 2.764 -5.253 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.502 3.639 -7.046 1.00 0.00 C ATOM 760 CZ PHE A 55 -2.156 2.591 -6.251 1.00 0.00 C ATOM 0 H PHE A 55 0.864 8.505 -5.633 1.00 0.00 H new ATOM 0 HA PHE A 55 1.485 5.980 -4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.786 6.895 -4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.655 7.121 -6.432 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.062 4.178 -4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.188 5.746 -7.467 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.974 1.932 -4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.224 3.501 -7.838 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.602 1.621 -6.412 1.00 0.00 H new ATOM 769 N ARG A 56 2.642 4.720 -6.306 1.00 0.00 N ATOM 770 CA ARG A 56 3.270 3.866 -7.301 1.00 0.00 C ATOM 771 C ARG A 56 3.968 2.686 -6.621 1.00 0.00 C ATOM 772 O ARG A 56 4.188 2.703 -5.411 1.00 0.00 O ATOM 773 CB ARG A 56 4.292 4.646 -8.130 1.00 0.00 C ATOM 774 CG ARG A 56 4.966 5.732 -7.290 1.00 0.00 C ATOM 775 CD ARG A 56 6.453 5.846 -7.630 1.00 0.00 C ATOM 776 NE ARG A 56 6.620 6.410 -8.988 1.00 0.00 N ATOM 777 CZ ARG A 56 6.641 7.722 -9.260 1.00 0.00 C ATOM 778 NH1 ARG A 56 6.505 8.613 -8.267 1.00 0.00 N ATOM 779 NH2 ARG A 56 6.797 8.144 -10.521 1.00 0.00 N ATOM 0 H ARG A 56 2.967 4.573 -5.351 1.00 0.00 H new ATOM 0 HA ARG A 56 2.488 3.497 -7.964 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.046 3.963 -8.520 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.798 5.100 -8.989 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.475 6.689 -7.465 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.848 5.503 -6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.954 6.481 -6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.923 4.864 -7.575 1.00 0.00 H new ATOM 0 HE ARG A 56 6.726 5.759 -9.766 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.386 8.292 -7.306 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.521 9.612 -8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.900 7.466 -11.276 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.813 9.143 -10.726 1.00 0.00 H new ATOM 790 N ARG A 57 4.295 1.688 -7.430 1.00 0.00 N ATOM 791 CA ARG A 57 4.963 0.502 -6.923 1.00 0.00 C ATOM 792 C ARG A 57 5.978 0.885 -5.844 1.00 0.00 C ATOM 793 O ARG A 57 6.462 2.015 -5.815 1.00 0.00 O ATOM 794 CB ARG A 57 5.681 -0.249 -8.045 1.00 0.00 C ATOM 795 CG ARG A 57 4.971 -1.564 -8.368 1.00 0.00 C ATOM 796 CD ARG A 57 5.375 -2.082 -9.749 1.00 0.00 C ATOM 797 NE ARG A 57 4.267 -2.865 -10.341 1.00 0.00 N ATOM 798 CZ ARG A 57 4.372 -3.582 -11.468 1.00 0.00 C ATOM 799 NH1 ARG A 57 5.535 -3.619 -12.133 1.00 0.00 N ATOM 800 NH2 ARG A 57 3.314 -4.263 -11.931 1.00 0.00 N ATOM 0 H ARG A 57 4.109 1.677 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 57 4.201 -0.150 -6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.721 0.375 -8.938 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.711 -0.451 -7.751 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.216 -2.309 -7.611 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.892 -1.416 -8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.628 -1.245 -10.400 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.267 -2.703 -9.667 1.00 0.00 H new ATOM 0 HE ARG A 57 3.367 -2.858 -9.861 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.340 -3.101 -11.781 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.615 -4.165 -12.991 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.429 -4.235 -11.425 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.394 -4.809 -12.789 1.00 0.00 H new ATOM 811 N PRO A 58 6.277 -0.104 -4.959 1.00 0.00 N ATOM 812 CA PRO A 58 7.226 0.118 -3.881 1.00 0.00 C ATOM 813 C PRO A 58 8.662 0.130 -4.409 1.00 0.00 C ATOM 814 O PRO A 58 9.558 0.682 -3.770 1.00 0.00 O ATOM 815 CB PRO A 58 6.966 -1.004 -2.891 1.00 0.00 C ATOM 816 CG PRO A 58 6.209 -2.073 -3.661 1.00 0.00 C ATOM 817 CD PRO A 58 5.723 -1.454 -4.962 1.00 0.00 C ATOM 0 HA PRO A 58 7.100 1.089 -3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.901 -1.398 -2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.383 -0.648 -2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.855 -2.928 -3.863 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.367 -2.441 -3.075 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.070 -2.023 -5.825 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.634 -1.435 -5.009 1.00 0.00 H new ATOM 822 N ALA A 59 8.838 -0.487 -5.568 1.00 0.00 N ATOM 823 CA ALA A 59 10.150 -0.555 -6.189 1.00 0.00 C ATOM 824 C ALA A 59 10.427 0.754 -6.930 1.00 0.00 C ATOM 825 O ALA A 59 11.466 1.381 -6.724 1.00 0.00 O ATOM 826 CB ALA A 59 10.217 -1.773 -7.111 1.00 0.00 C ATOM 0 H ALA A 59 8.093 -0.945 -6.094 1.00 0.00 H new ATOM 0 HA ALA A 59 10.926 -0.676 -5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.201 -1.823 -7.576 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.043 -2.679 -6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.454 -1.686 -7.885 1.00 0.00 H new ATOM 832 N GLU A 60 9.481 1.129 -7.778 1.00 0.00 N ATOM 833 CA GLU A 60 9.610 2.352 -8.552 1.00 0.00 C ATOM 834 C GLU A 60 9.985 3.520 -7.639 1.00 0.00 C ATOM 835 O GLU A 60 10.781 4.378 -8.018 1.00 0.00 O ATOM 836 CB GLU A 60 8.324 2.650 -9.324 1.00 0.00 C ATOM 837 CG GLU A 60 8.164 1.699 -10.512 1.00 0.00 C ATOM 838 CD GLU A 60 8.340 2.443 -11.838 1.00 0.00 C ATOM 839 OE1 GLU A 60 7.387 3.159 -12.217 1.00 0.00 O ATOM 840 OE2 GLU A 60 9.421 2.278 -12.442 1.00 0.00 O ATOM 0 H GLU A 60 8.621 0.607 -7.946 1.00 0.00 H new ATOM 0 HA GLU A 60 10.409 2.215 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.466 2.554 -8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.339 3.681 -9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.898 0.896 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.179 1.234 -10.480 1.00 0.00 H new ATOM 845 N TYR A 61 9.395 3.516 -6.453 1.00 0.00 N ATOM 846 CA TYR A 61 9.656 4.565 -5.483 1.00 0.00 C ATOM 847 C TYR A 61 11.160 4.760 -5.279 1.00 0.00 C ATOM 848 O TYR A 61 11.965 3.975 -5.777 1.00 0.00 O ATOM 849 CB TYR A 61 9.032 4.091 -4.169 1.00 0.00 C ATOM 850 CG TYR A 61 7.692 4.752 -3.842 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.547 6.119 -3.973 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.628 3.983 -3.415 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.285 6.741 -3.665 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.368 4.606 -3.107 1.00 0.00 C ATOM 855 CZ TYR A 61 5.258 5.955 -3.248 1.00 0.00 C ATOM 856 OH TYR A 61 4.067 6.543 -2.956 1.00 0.00 O ATOM 0 H TYR A 61 8.736 2.802 -6.142 1.00 0.00 H new ATOM 0 HA TYR A 61 9.241 5.514 -5.823 1.00 0.00 H new ATOM 0 HB2 TYR A 61 8.891 3.011 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.730 4.287 -3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.379 6.721 -4.306 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.741 2.914 -3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.158 7.809 -3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.528 4.016 -2.771 1.00 0.00 H new ATOM 0 HH TYR A 61 3.546 6.653 -3.779 1.00 0.00 H new ATOM 865 N ASP A 62 11.493 5.810 -4.543 1.00 0.00 N ATOM 866 CA ASP A 62 12.887 6.118 -4.266 1.00 0.00 C ATOM 867 C ASP A 62 13.342 5.334 -3.033 1.00 0.00 C ATOM 868 O ASP A 62 12.571 4.563 -2.464 1.00 0.00 O ATOM 869 CB ASP A 62 13.074 7.608 -3.974 1.00 0.00 C ATOM 870 CG ASP A 62 11.872 8.490 -4.317 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.523 8.534 -5.516 1.00 0.00 O ATOM 872 OD2 ASP A 62 11.329 9.100 -3.371 1.00 0.00 O ATOM 0 H ASP A 62 10.823 6.458 -4.130 1.00 0.00 H new ATOM 0 HA ASP A 62 13.474 5.846 -5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.304 7.729 -2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.939 7.966 -4.532 1.00 0.00 H new ATOM 876 N PRO A 63 14.626 5.565 -2.648 1.00 0.00 N ATOM 877 CA PRO A 63 15.193 4.889 -1.493 1.00 0.00 C ATOM 878 C PRO A 63 14.658 5.487 -0.191 1.00 0.00 C ATOM 879 O PRO A 63 14.098 4.774 0.640 1.00 0.00 O ATOM 880 CB PRO A 63 16.698 5.047 -1.645 1.00 0.00 C ATOM 881 CG PRO A 63 16.900 6.194 -2.621 1.00 0.00 C ATOM 882 CD PRO A 63 15.567 6.470 -3.299 1.00 0.00 C ATOM 0 HA PRO A 63 14.919 3.835 -1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.167 5.264 -0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.151 4.130 -2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.253 7.083 -2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.658 5.937 -3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.267 7.510 -3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.621 6.281 -4.371 1.00 0.00 H new ATOM 887 N LYS A 64 14.850 6.791 -0.052 1.00 0.00 N ATOM 888 CA LYS A 64 14.394 7.493 1.135 1.00 0.00 C ATOM 889 C LYS A 64 12.866 7.439 1.198 1.00 0.00 C ATOM 890 O LYS A 64 12.280 7.590 2.270 1.00 0.00 O ATOM 891 CB LYS A 64 14.962 8.913 1.168 1.00 0.00 C ATOM 892 CG LYS A 64 16.370 8.927 1.765 1.00 0.00 C ATOM 893 CD LYS A 64 17.429 8.739 0.676 1.00 0.00 C ATOM 894 CE LYS A 64 18.822 8.581 1.288 1.00 0.00 C ATOM 895 NZ LYS A 64 19.855 8.568 0.227 1.00 0.00 N ATOM 0 H LYS A 64 15.316 7.380 -0.743 1.00 0.00 H new ATOM 0 HA LYS A 64 14.768 7.004 2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.987 9.322 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.308 9.557 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.540 9.871 2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.462 8.134 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.189 7.860 0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.419 9.596 0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.016 9.398 1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.871 7.656 1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.795 8.460 0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.678 7.773 -0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.819 9.462 -0.304 1.00 0.00 H new ATOM 905 N ALA A 65 12.265 7.225 0.037 1.00 0.00 N ATOM 906 CA ALA A 65 10.817 7.150 -0.052 1.00 0.00 C ATOM 907 C ALA A 65 10.321 5.954 0.763 1.00 0.00 C ATOM 908 O ALA A 65 9.572 6.121 1.724 1.00 0.00 O ATOM 909 CB ALA A 65 10.399 7.067 -1.522 1.00 0.00 C ATOM 0 H ALA A 65 12.754 7.101 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 65 10.360 8.047 0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.313 7.011 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.750 7.953 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.837 6.178 -1.975 1.00 0.00 H new ATOM 915 N LEU A 66 10.759 4.773 0.349 1.00 0.00 N ATOM 916 CA LEU A 66 10.369 3.550 1.029 1.00 0.00 C ATOM 917 C LEU A 66 10.486 3.753 2.541 1.00 0.00 C ATOM 918 O LEU A 66 9.589 3.373 3.293 1.00 0.00 O ATOM 919 CB LEU A 66 11.178 2.363 0.503 1.00 0.00 C ATOM 920 CG LEU A 66 11.079 2.098 -1.001 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.080 1.025 -1.435 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.647 1.741 -1.402 1.00 0.00 C ATOM 0 H LEU A 66 11.380 4.638 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 66 9.326 3.313 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.226 2.523 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.856 1.466 1.032 1.00 0.00 H new ATOM 0 HG LEU A 66 11.341 3.016 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.989 0.855 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.092 1.357 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.873 0.097 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.605 1.558 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.332 0.844 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.982 2.566 -1.148 1.00 0.00 H new ATOM 933 N MET A 67 11.597 4.352 2.941 1.00 0.00 N ATOM 934 CA MET A 67 11.843 4.610 4.350 1.00 0.00 C ATOM 935 C MET A 67 10.806 5.579 4.920 1.00 0.00 C ATOM 936 O MET A 67 10.444 5.488 6.093 1.00 0.00 O ATOM 937 CB MET A 67 13.244 5.201 4.524 1.00 0.00 C ATOM 938 CG MET A 67 14.298 4.096 4.623 1.00 0.00 C ATOM 939 SD MET A 67 15.934 4.809 4.613 1.00 0.00 S ATOM 940 CE MET A 67 16.300 4.718 2.869 1.00 0.00 C ATOM 0 H MET A 67 12.338 4.667 2.314 1.00 0.00 H new ATOM 0 HA MET A 67 11.767 3.667 4.891 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.474 5.853 3.682 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.273 5.818 5.422 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.149 3.521 5.537 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.189 3.403 3.789 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.046 3.943 2.694 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.391 4.477 2.318 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.687 5.678 2.528 1.00 0.00 H new ATOM 948 N ALA A 68 10.355 6.483 4.062 1.00 0.00 N ATOM 949 CA ALA A 68 9.365 7.468 4.467 1.00 0.00 C ATOM 950 C ALA A 68 7.972 6.837 4.407 1.00 0.00 C ATOM 951 O ALA A 68 7.036 7.333 5.033 1.00 0.00 O ATOM 952 CB ALA A 68 9.484 8.705 3.574 1.00 0.00 C ATOM 0 H ALA A 68 10.656 6.554 3.090 1.00 0.00 H new ATOM 0 HA ALA A 68 9.538 7.789 5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.742 9.445 3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.483 9.131 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.312 8.422 2.536 1.00 0.00 H new ATOM 958 N ILE A 69 7.878 5.754 3.650 1.00 0.00 N ATOM 959 CA ILE A 69 6.615 5.052 3.501 1.00 0.00 C ATOM 960 C ILE A 69 6.392 4.152 4.717 1.00 0.00 C ATOM 961 O ILE A 69 5.291 4.103 5.264 1.00 0.00 O ATOM 962 CB ILE A 69 6.571 4.306 2.167 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.670 5.279 0.991 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.327 3.420 2.075 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.390 4.634 -0.195 1.00 0.00 C ATOM 0 H ILE A 69 8.656 5.345 3.133 1.00 0.00 H new ATOM 0 HA ILE A 69 5.786 5.759 3.471 1.00 0.00 H new ATOM 0 HB ILE A 69 7.439 3.649 2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.671 5.592 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.205 6.177 1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.320 2.901 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.340 2.689 2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.433 4.038 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.447 5.347 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.397 4.344 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.839 3.750 -0.518 1.00 0.00 H new ATOM 976 N LEU A 70 7.453 3.461 5.106 1.00 0.00 N ATOM 977 CA LEU A 70 7.387 2.565 6.247 1.00 0.00 C ATOM 978 C LEU A 70 7.266 3.388 7.530 1.00 0.00 C ATOM 979 O LEU A 70 6.795 2.888 8.552 1.00 0.00 O ATOM 980 CB LEU A 70 8.577 1.603 6.244 1.00 0.00 C ATOM 981 CG LEU A 70 8.884 0.920 4.910 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.385 0.673 4.753 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.071 -0.367 4.754 1.00 0.00 C ATOM 0 H LEU A 70 8.365 3.504 4.650 1.00 0.00 H new ATOM 0 HA LEU A 70 6.499 1.936 6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.464 2.152 6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.396 0.831 6.992 1.00 0.00 H new ATOM 0 HG LEU A 70 8.583 1.591 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.576 0.187 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.916 1.624 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.735 0.032 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.308 -0.833 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.318 -1.054 5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.007 -0.132 4.790 1.00 0.00 H new ATOM 994 N GLU A 71 7.699 4.637 7.438 1.00 0.00 N ATOM 995 CA GLU A 71 7.644 5.535 8.579 1.00 0.00 C ATOM 996 C GLU A 71 6.313 6.289 8.598 1.00 0.00 C ATOM 997 O GLU A 71 5.721 6.483 9.659 1.00 0.00 O ATOM 998 CB GLU A 71 8.825 6.508 8.568 1.00 0.00 C ATOM 999 CG GLU A 71 10.096 5.834 9.088 1.00 0.00 C ATOM 1000 CD GLU A 71 11.181 6.869 9.390 1.00 0.00 C ATOM 1001 OE1 GLU A 71 10.847 7.858 10.077 1.00 0.00 O ATOM 1002 OE2 GLU A 71 12.321 6.648 8.927 1.00 0.00 O ATOM 0 H GLU A 71 8.090 5.048 6.590 1.00 0.00 H new ATOM 0 HA GLU A 71 7.714 4.939 9.489 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.991 6.872 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.591 7.376 9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.868 5.267 9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.463 5.122 8.349 1.00 0.00 H new ATOM 1007 N HIS A 72 5.881 6.693 7.412 1.00 0.00 N ATOM 1008 CA HIS A 72 4.630 7.421 7.280 1.00 0.00 C ATOM 1009 C HIS A 72 3.472 6.431 7.148 1.00 0.00 C ATOM 1010 O HIS A 72 2.306 6.822 7.207 1.00 0.00 O ATOM 1011 CB HIS A 72 4.700 8.412 6.116 1.00 0.00 C ATOM 1012 CG HIS A 72 5.737 9.494 6.291 1.00 0.00 C ATOM 1013 ND1 HIS A 72 5.561 10.786 5.825 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.964 9.464 6.886 1.00 0.00 C ATOM 1015 CE1 HIS A 72 6.639 11.492 6.131 1.00 0.00 C ATOM 1016 NE2 HIS A 72 7.509 10.670 6.787 1.00 0.00 N ATOM 0 H HIS A 72 6.375 6.530 6.534 1.00 0.00 H new ATOM 0 HA HIS A 72 4.453 8.015 8.177 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.913 7.864 5.198 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.722 8.877 5.989 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.416 8.604 7.358 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.801 12.535 5.902 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.427 10.938 7.142 1.00 0.00 H new ATOM 1023 N SER A 73 3.831 5.168 6.971 1.00 0.00 N ATOM 1024 CA SER A 73 2.835 4.119 6.831 1.00 0.00 C ATOM 1025 C SER A 73 1.699 4.339 7.830 1.00 0.00 C ATOM 1026 O SER A 73 0.525 4.255 7.469 1.00 0.00 O ATOM 1027 CB SER A 73 3.460 2.737 7.033 1.00 0.00 C ATOM 1028 OG SER A 73 3.227 2.233 8.347 1.00 0.00 O ATOM 0 H SER A 73 4.798 4.847 6.921 1.00 0.00 H new ATOM 0 HA SER A 73 2.433 4.162 5.819 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.049 2.043 6.300 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.533 2.794 6.851 1.00 0.00 H new ATOM 0 HG SER A 73 3.640 1.349 8.436 1.00 0.00 H new ATOM 1033 N HIS A 74 2.085 4.618 9.066 1.00 0.00 N ATOM 1034 CA HIS A 74 1.111 4.851 10.120 1.00 0.00 C ATOM 1035 C HIS A 74 -0.040 5.699 9.576 1.00 0.00 C ATOM 1036 O HIS A 74 -1.166 5.608 10.063 1.00 0.00 O ATOM 1037 CB HIS A 74 1.780 5.474 11.347 1.00 0.00 C ATOM 1038 CG HIS A 74 2.027 6.959 11.224 1.00 0.00 C ATOM 1039 ND1 HIS A 74 1.293 7.902 11.923 1.00 0.00 N ATOM 1040 CD2 HIS A 74 2.936 7.651 10.478 1.00 0.00 C ATOM 1041 CE1 HIS A 74 1.748 9.105 11.602 1.00 0.00 C ATOM 1042 NE2 HIS A 74 2.765 8.948 10.708 1.00 0.00 N ATOM 0 H HIS A 74 3.059 4.688 9.362 1.00 0.00 H new ATOM 0 HA HIS A 74 0.691 3.901 10.450 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.155 5.291 12.221 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.731 4.971 11.524 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.532 7.705 12.573 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.669 7.218 9.814 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.378 10.045 11.982 1.00 0.00 H new ATOM 1049 N ARG A 75 0.282 6.504 8.575 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.711 7.368 7.960 1.00 0.00 C ATOM 1051 C ARG A 75 -1.299 6.699 6.715 1.00 0.00 C ATOM 1052 O ARG A 75 -2.509 6.736 6.499 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.102 8.716 7.567 1.00 0.00 C ATOM 1054 CG ARG A 75 0.746 9.287 8.705 1.00 0.00 C ATOM 1055 CD ARG A 75 2.073 9.836 8.177 1.00 0.00 C ATOM 1056 NE ARG A 75 2.363 11.145 8.802 1.00 0.00 N ATOM 1057 CZ ARG A 75 1.708 12.278 8.513 1.00 0.00 C ATOM 1058 NH1 ARG A 75 0.721 12.268 7.607 1.00 0.00 N ATOM 1059 NH2 ARG A 75 2.040 13.420 9.130 1.00 0.00 N ATOM 0 H ARG A 75 1.217 6.576 8.174 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.500 7.539 8.692 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.513 8.595 6.676 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.896 9.418 7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.196 10.080 9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.938 8.510 9.445 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.878 9.134 8.393 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.026 9.943 7.093 1.00 0.00 H new ATOM 0 HE ARG A 75 3.109 11.188 9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.468 11.398 7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.222 13.130 7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.791 13.427 9.820 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.541 14.282 8.910 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.414 6.103 5.930 1.00 0.00 N ATOM 1071 CA ILE A 76 -0.830 5.427 4.712 1.00 0.00 C ATOM 1072 C ILE A 76 -2.157 4.707 4.962 1.00 0.00 C ATOM 1073 O ILE A 76 -2.258 3.881 5.868 1.00 0.00 O ATOM 1074 CB ILE A 76 0.281 4.508 4.204 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.541 5.308 3.862 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.201 3.667 3.021 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.645 4.392 3.332 1.00 0.00 C ATOM 0 H ILE A 76 0.589 6.074 6.113 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.004 6.150 3.915 1.00 0.00 H new ATOM 0 HB ILE A 76 0.545 3.817 5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.303 6.066 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.894 5.834 4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.609 3.022 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.047 3.054 3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.509 4.325 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.529 4.985 3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.897 3.650 4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.297 3.887 2.431 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.142 5.046 4.143 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.458 4.443 4.264 1.00 0.00 C ATOM 1090 C ARG A 77 -5.094 4.278 2.882 1.00 0.00 C ATOM 1091 O ARG A 77 -5.094 5.210 2.079 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.376 5.295 5.143 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.203 4.939 6.621 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.265 5.630 7.478 1.00 0.00 C ATOM 1095 NE ARG A 77 -5.851 5.626 8.899 1.00 0.00 N ATOM 1096 CZ ARG A 77 -6.613 6.075 9.905 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -7.835 6.566 9.653 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -6.155 6.032 11.164 1.00 0.00 N ATOM 0 H ARG A 77 -3.055 5.731 3.392 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.334 3.465 4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.154 6.351 4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.414 5.142 4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.273 3.859 6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.209 5.236 6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.410 6.655 7.136 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.222 5.119 7.368 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.927 5.258 9.127 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.184 6.598 8.695 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.415 6.908 10.419 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.226 5.657 11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.735 6.374 11.930 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.621 3.085 2.648 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.260 2.786 1.377 1.00 0.00 C ATOM 1111 C PHE A 78 -7.737 3.184 1.398 1.00 0.00 C ATOM 1112 O PHE A 78 -8.361 3.213 2.459 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.155 1.274 1.168 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.781 0.808 0.680 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.658 1.194 1.341 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.686 0.006 -0.415 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.384 0.761 0.888 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.412 -0.427 -0.867 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.287 -0.041 -0.207 1.00 0.00 C ATOM 0 H PHE A 78 -5.619 2.314 3.316 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.773 3.343 0.576 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.386 0.771 2.107 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.910 0.964 0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.735 1.830 2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.579 -0.301 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.491 1.068 1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.336 -1.064 -1.736 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.318 -0.371 -0.552 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.254 3.482 0.215 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.647 3.878 0.086 1.00 0.00 C ATOM 1130 C LYS A 79 -10.260 3.178 -1.129 1.00 0.00 C ATOM 1131 O LYS A 79 -9.833 3.403 -2.260 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.768 5.403 0.044 1.00 0.00 C ATOM 1133 CG LYS A 79 -9.971 5.976 1.448 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.459 6.067 1.793 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.047 7.402 1.333 1.00 0.00 C ATOM 1136 NZ LYS A 79 -13.525 7.337 1.314 1.00 0.00 N ATOM 0 H LYS A 79 -7.734 3.457 -0.662 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.217 3.560 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.869 5.831 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.605 5.687 -0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.462 5.347 2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.518 6.966 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.997 5.246 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.594 5.957 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.721 8.199 2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.675 7.647 0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.909 8.251 1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.831 6.589 0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.875 7.125 2.270 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.250 2.344 -0.852 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.927 1.609 -1.909 1.00 0.00 C ATOM 1148 C LEU A 80 -13.115 2.429 -2.414 1.00 0.00 C ATOM 1149 O LEU A 80 -13.682 3.230 -1.672 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.308 0.207 -1.428 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.197 -0.844 -1.478 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.708 -2.205 -1.003 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.576 -0.920 -2.874 1.00 0.00 C ATOM 0 H LEU A 80 -11.601 2.160 0.088 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.259 1.459 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.665 0.281 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.144 -0.148 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.408 -0.539 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.899 -2.934 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.064 -2.122 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.526 -2.531 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.789 -1.674 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.344 -1.189 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.152 0.049 -3.137 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.457 2.203 -3.674 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.567 2.911 -4.287 1.00 0.00 C ATOM 1166 C LYS A 81 -15.811 2.756 -3.412 1.00 0.00 C ATOM 1167 O LYS A 81 -16.702 3.604 -3.436 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.768 2.445 -5.731 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.434 1.068 -5.774 1.00 0.00 C ATOM 1170 CD LYS A 81 -14.597 0.080 -6.591 1.00 0.00 C ATOM 1171 CE LYS A 81 -14.943 -1.365 -6.227 1.00 0.00 C ATOM 1172 NZ LYS A 81 -14.005 -1.880 -5.205 1.00 0.00 N ATOM 0 H LYS A 81 -12.984 1.539 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.351 3.978 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.383 3.167 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.806 2.404 -6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.562 0.690 -4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.429 1.155 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.772 0.243 -7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.537 0.260 -6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.965 -1.417 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.899 -1.991 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.254 -2.862 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.034 -1.848 -5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.067 -1.292 -4.349 1.00 0.00 H new