USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 581 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 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl -177:sc= 0 (180deg=-0.02) USER MOD Single : A 10 TYR OH : rot -61:sc= 0.0505 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0.0729 K(o=0.073,f=-3.2!) USER MOD Single : A 51 THR OG1 : rot -88:sc= 0.934 USER MOD Single : A 52 GLN : amide:sc= 0.0915 X(o=0.091,f=-0.00014) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ASN A 3 11.657 -30.573 -2.562 1.00 0.00 N ATOM 36 CA ASN A 3 10.171 -30.587 -2.668 1.00 0.00 C ATOM 37 C ASN A 3 9.397 -29.887 -1.513 1.00 0.00 C ATOM 38 O ASN A 3 8.467 -29.119 -1.764 1.00 0.00 O ATOM 39 CB ASN A 3 9.665 -32.036 -2.911 1.00 0.00 C ATOM 40 CG ASN A 3 10.075 -32.671 -4.252 1.00 0.00 C ATOM 41 OD1 ASN A 3 11.110 -33.322 -4.363 1.00 0.00 O ATOM 42 ND2 ASN A 3 9.289 -32.499 -5.296 1.00 0.00 N ATOM 0 HA ASN A 3 9.941 -29.964 -3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.032 -32.669 -2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.577 -32.036 -2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.541 -32.907 -6.196 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.429 -31.958 -5.203 1.00 0.00 H new ATOM 49 N LEU A 4 9.831 -30.126 -0.270 1.00 0.00 N ATOM 50 CA LEU A 4 9.369 -29.371 0.931 1.00 0.00 C ATOM 51 C LEU A 4 9.682 -27.838 0.916 1.00 0.00 C ATOM 52 O LEU A 4 8.803 -27.058 1.282 1.00 0.00 O ATOM 53 CB LEU A 4 9.899 -30.099 2.201 1.00 0.00 C ATOM 54 CG LEU A 4 9.421 -29.569 3.585 1.00 0.00 C ATOM 55 CD1 LEU A 4 7.891 -29.627 3.771 1.00 0.00 C ATOM 56 CD2 LEU A 4 10.105 -30.353 4.719 1.00 0.00 C ATOM 0 H LEU A 4 10.516 -30.850 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 4 8.279 -29.379 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.619 -31.150 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.988 -30.058 2.183 1.00 0.00 H new ATOM 0 HG LEU A 4 9.706 -28.518 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.629 -29.243 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.408 -29.020 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.553 -30.659 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.763 -29.973 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.852 -31.410 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 4 11.186 -30.232 4.645 1.00 0.00 H new ATOM 68 N ASN A 5 10.873 -27.397 0.456 1.00 0.00 N ATOM 69 CA ASN A 5 11.138 -25.961 0.137 1.00 0.00 C ATOM 70 C ASN A 5 10.183 -25.314 -0.930 1.00 0.00 C ATOM 71 O ASN A 5 9.795 -24.158 -0.751 1.00 0.00 O ATOM 72 CB ASN A 5 12.642 -25.831 -0.230 1.00 0.00 C ATOM 73 CG ASN A 5 13.175 -24.395 -0.358 1.00 0.00 C ATOM 74 OD1 ASN A 5 13.198 -23.813 -1.440 1.00 0.00 O ATOM 75 ND2 ASN A 5 13.611 -23.787 0.728 1.00 0.00 N ATOM 0 H ASN A 5 11.673 -28.009 0.294 1.00 0.00 H new ATOM 0 HA ASN A 5 10.906 -25.372 1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 5 13.228 -26.350 0.528 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.813 -26.348 -1.174 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.968 -22.833 0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 5 13.592 -24.271 1.626 1.00 0.00 H new ATOM 82 N MET A 6 9.779 -26.045 -1.988 1.00 0.00 N ATOM 83 CA MET A 6 8.731 -25.583 -2.946 1.00 0.00 C ATOM 84 C MET A 6 7.281 -25.516 -2.361 1.00 0.00 C ATOM 85 O MET A 6 6.577 -24.551 -2.667 1.00 0.00 O ATOM 86 CB MET A 6 8.769 -26.418 -4.251 1.00 0.00 C ATOM 87 CG MET A 6 10.055 -26.288 -5.093 1.00 0.00 C ATOM 88 SD MET A 6 9.851 -27.084 -6.703 1.00 0.00 S ATOM 89 CE MET A 6 10.055 -28.827 -6.282 1.00 0.00 C ATOM 0 H MET A 6 10.160 -26.965 -2.209 1.00 0.00 H new ATOM 0 HA MET A 6 8.988 -24.548 -3.169 1.00 0.00 H new ATOM 0 HB2 MET A 6 8.631 -27.468 -3.993 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.920 -26.128 -4.871 1.00 0.00 H new ATOM 0 HG2 MET A 6 10.300 -25.235 -5.231 1.00 0.00 H new ATOM 0 HG3 MET A 6 10.891 -26.742 -4.561 1.00 0.00 H new ATOM 0 HE1 MET A 6 10.007 -29.429 -7.190 1.00 0.00 H new ATOM 0 HE2 MET A 6 11.022 -28.974 -5.800 1.00 0.00 H new ATOM 0 HE3 MET A 6 9.260 -29.132 -5.601 1.00 0.00 H new ATOM 99 N ASP A 7 6.853 -26.469 -1.500 1.00 0.00 N ATOM 100 CA ASP A 7 5.644 -26.320 -0.638 1.00 0.00 C ATOM 101 C ASP A 7 5.687 -25.089 0.324 1.00 0.00 C ATOM 102 O ASP A 7 4.706 -24.348 0.406 1.00 0.00 O ATOM 103 CB ASP A 7 5.383 -27.613 0.187 1.00 0.00 C ATOM 104 CG ASP A 7 4.845 -28.817 -0.588 1.00 0.00 C ATOM 105 OD1 ASP A 7 3.659 -28.963 -0.874 1.00 0.00 O ATOM 106 OD2 ASP A 7 5.821 -29.721 -0.894 1.00 0.00 O ATOM 0 H ASP A 7 7.330 -27.362 -1.379 1.00 0.00 H new ATOM 0 HA ASP A 7 4.824 -26.145 -1.334 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.316 -27.906 0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.676 -27.374 0.982 1.00 0.00 H new ATOM 112 N LEU A 8 6.818 -24.869 1.021 1.00 0.00 N ATOM 113 CA LEU A 8 7.036 -23.680 1.887 1.00 0.00 C ATOM 114 C LEU A 8 7.023 -22.299 1.151 1.00 0.00 C ATOM 115 O LEU A 8 6.422 -21.355 1.670 1.00 0.00 O ATOM 116 CB LEU A 8 8.336 -23.867 2.724 1.00 0.00 C ATOM 117 CG LEU A 8 8.316 -24.970 3.823 1.00 0.00 C ATOM 118 CD1 LEU A 8 9.745 -25.293 4.298 1.00 0.00 C ATOM 119 CD2 LEU A 8 7.442 -24.586 5.033 1.00 0.00 C ATOM 0 H LEU A 8 7.612 -25.509 1.004 1.00 0.00 H new ATOM 0 HA LEU A 8 6.168 -23.633 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.153 -24.088 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.571 -22.916 3.202 1.00 0.00 H new ATOM 0 HG LEU A 8 7.874 -25.855 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.707 -26.066 5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.337 -25.648 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.203 -24.394 4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.464 -25.391 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.827 -23.672 5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.416 -24.424 4.704 1.00 0.00 H new ATOM 131 N LEU A 9 7.652 -22.181 -0.040 1.00 0.00 N ATOM 132 CA LEU A 9 7.640 -20.947 -0.866 1.00 0.00 C ATOM 133 C LEU A 9 6.227 -20.592 -1.426 1.00 0.00 C ATOM 134 O LEU A 9 5.725 -19.501 -1.156 1.00 0.00 O ATOM 135 CB LEU A 9 8.725 -21.085 -1.976 1.00 0.00 C ATOM 136 CG LEU A 9 9.251 -19.754 -2.582 1.00 0.00 C ATOM 137 CD1 LEU A 9 10.182 -18.993 -1.617 1.00 0.00 C ATOM 138 CD2 LEU A 9 9.991 -20.018 -3.907 1.00 0.00 C ATOM 0 H LEU A 9 8.186 -22.942 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 9 7.887 -20.095 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.572 -21.633 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.316 -21.692 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 9 8.377 -19.128 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.521 -18.071 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.640 -18.754 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 9 11.044 -19.615 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.352 -19.075 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.836 -20.682 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.309 -20.485 -4.618 1.00 0.00 H new ATOM 150 N TYR A 10 5.583 -21.536 -2.141 1.00 0.00 N ATOM 151 CA TYR A 10 4.119 -21.564 -2.418 1.00 0.00 C ATOM 152 C TYR A 10 3.170 -21.075 -1.281 1.00 0.00 C ATOM 153 O TYR A 10 2.459 -20.084 -1.478 1.00 0.00 O ATOM 154 CB TYR A 10 3.834 -23.041 -2.840 1.00 0.00 C ATOM 155 CG TYR A 10 2.365 -23.493 -2.963 1.00 0.00 C ATOM 156 CD1 TYR A 10 1.581 -23.056 -4.025 1.00 0.00 C ATOM 157 CD2 TYR A 10 1.834 -24.420 -2.054 1.00 0.00 C ATOM 158 CE1 TYR A 10 0.279 -23.533 -4.179 1.00 0.00 C ATOM 159 CE2 TYR A 10 0.529 -24.880 -2.198 1.00 0.00 C ATOM 160 CZ TYR A 10 -0.249 -24.433 -3.260 1.00 0.00 C ATOM 161 OH TYR A 10 -1.538 -24.877 -3.400 1.00 0.00 O ATOM 0 H TYR A 10 6.075 -22.327 -2.557 1.00 0.00 H new ATOM 0 HA TYR A 10 3.890 -20.830 -3.190 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.316 -23.211 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.324 -23.694 -2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.981 -22.345 -4.733 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.442 -24.779 -1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.320 -23.202 -5.014 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.121 -25.583 -1.486 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.153 -24.115 -3.355 1.00 0.00 H new ATOM 171 N MET A 11 3.138 -21.789 -0.133 1.00 0.00 N ATOM 172 CA MET A 11 2.175 -21.506 0.952 1.00 0.00 C ATOM 173 C MET A 11 2.398 -20.107 1.601 1.00 0.00 C ATOM 174 O MET A 11 1.449 -19.327 1.670 1.00 0.00 O ATOM 175 CB MET A 11 2.148 -22.615 2.041 1.00 0.00 C ATOM 176 CG MET A 11 1.575 -23.975 1.613 1.00 0.00 C ATOM 177 SD MET A 11 1.551 -25.100 3.020 1.00 0.00 S ATOM 178 CE MET A 11 1.183 -26.648 2.169 1.00 0.00 C ATOM 0 H MET A 11 3.769 -22.566 0.065 1.00 0.00 H new ATOM 0 HA MET A 11 1.197 -21.497 0.470 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.166 -22.770 2.397 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.566 -22.250 2.887 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.566 -23.847 1.221 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.178 -24.397 0.809 1.00 0.00 H new ATOM 0 HE1 MET A 11 1.131 -27.459 2.895 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.227 -26.561 1.653 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.969 -26.860 1.444 1.00 0.00 H new ATOM 188 N ALA A 12 3.646 -19.771 1.997 1.00 0.00 N ATOM 189 CA ALA A 12 4.042 -18.394 2.359 1.00 0.00 C ATOM 190 C ALA A 12 3.782 -17.271 1.311 1.00 0.00 C ATOM 191 O ALA A 12 3.422 -16.176 1.733 1.00 0.00 O ATOM 192 CB ALA A 12 5.522 -18.419 2.788 1.00 0.00 C ATOM 0 H ALA A 12 4.406 -20.447 2.074 1.00 0.00 H new ATOM 0 HA ALA A 12 3.375 -18.105 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.839 -17.412 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.641 -19.082 3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.134 -18.781 1.962 1.00 0.00 H new ATOM 198 N ALA A 13 3.910 -17.499 -0.012 1.00 0.00 N ATOM 199 CA ALA A 13 3.549 -16.508 -1.051 1.00 0.00 C ATOM 200 C ALA A 13 2.036 -16.174 -1.137 1.00 0.00 C ATOM 201 O ALA A 13 1.685 -15.011 -0.946 1.00 0.00 O ATOM 202 CB ALA A 13 4.129 -16.974 -2.398 1.00 0.00 C ATOM 0 H ALA A 13 4.267 -18.376 -0.392 1.00 0.00 H new ATOM 0 HA ALA A 13 3.995 -15.556 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.871 -16.253 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.213 -17.051 -2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.714 -17.948 -2.655 1.00 0.00 H new ATOM 208 N ALA A 14 1.135 -17.152 -1.351 1.00 0.00 N ATOM 209 CA ALA A 14 -0.331 -16.924 -1.193 1.00 0.00 C ATOM 210 C ALA A 14 -0.837 -16.467 0.212 1.00 0.00 C ATOM 211 O ALA A 14 -1.726 -15.612 0.264 1.00 0.00 O ATOM 212 CB ALA A 14 -1.089 -18.171 -1.677 1.00 0.00 C ATOM 0 H ALA A 14 1.384 -18.101 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.546 -16.054 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.161 -18.011 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.857 -18.353 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.786 -19.034 -1.084 1.00 0.00 H new ATOM 218 N VAL A 15 -0.275 -16.963 1.336 1.00 0.00 N ATOM 219 CA VAL A 15 -0.581 -16.425 2.698 1.00 0.00 C ATOM 220 C VAL A 15 -0.088 -14.949 2.916 1.00 0.00 C ATOM 221 O VAL A 15 -0.892 -14.104 3.322 1.00 0.00 O ATOM 222 CB VAL A 15 -0.190 -17.439 3.825 1.00 0.00 C ATOM 223 CG1 VAL A 15 -0.344 -16.907 5.272 1.00 0.00 C ATOM 224 CG2 VAL A 15 -0.978 -18.772 3.756 1.00 0.00 C ATOM 0 H VAL A 15 0.393 -17.734 1.337 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.664 -16.329 2.771 1.00 0.00 H new ATOM 0 HB VAL A 15 0.867 -17.601 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.049 -17.683 5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.292 -16.032 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.383 -16.631 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.657 -19.427 4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.045 -18.570 3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.788 -19.258 2.799 1.00 0.00 H new ATOM 234 N MET A 16 1.195 -14.631 2.640 1.00 0.00 N ATOM 235 CA MET A 16 1.727 -13.238 2.711 1.00 0.00 C ATOM 236 C MET A 16 1.077 -12.233 1.707 1.00 0.00 C ATOM 237 O MET A 16 0.759 -11.110 2.106 1.00 0.00 O ATOM 238 CB MET A 16 3.274 -13.301 2.554 1.00 0.00 C ATOM 239 CG MET A 16 4.028 -11.995 2.862 1.00 0.00 C ATOM 240 SD MET A 16 5.796 -12.257 2.626 1.00 0.00 S ATOM 241 CE MET A 16 6.403 -10.581 2.886 1.00 0.00 C ATOM 0 H MET A 16 1.893 -15.321 2.363 1.00 0.00 H new ATOM 0 HA MET A 16 1.454 -12.831 3.685 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.656 -14.083 3.210 1.00 0.00 H new ATOM 0 HB3 MET A 16 3.506 -13.601 1.532 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.677 -11.196 2.209 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.829 -11.680 3.886 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.487 -10.565 2.775 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.954 -9.913 2.151 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.136 -10.249 3.889 1.00 0.00 H new ATOM 251 N MET A 17 0.894 -12.620 0.431 1.00 0.00 N ATOM 252 CA MET A 17 0.325 -11.733 -0.621 1.00 0.00 C ATOM 253 C MET A 17 -1.236 -11.750 -0.788 1.00 0.00 C ATOM 254 O MET A 17 -1.768 -10.878 -1.480 1.00 0.00 O ATOM 255 CB MET A 17 1.013 -12.050 -1.967 1.00 0.00 C ATOM 256 CG MET A 17 2.561 -12.013 -2.034 1.00 0.00 C ATOM 257 SD MET A 17 3.246 -10.630 -1.097 1.00 0.00 S ATOM 258 CE MET A 17 4.999 -11.037 -1.165 1.00 0.00 C ATOM 0 H MET A 17 1.133 -13.552 0.093 1.00 0.00 H new ATOM 0 HA MET A 17 0.533 -10.718 -0.282 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.692 -13.044 -2.277 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.632 -11.346 -2.707 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.963 -12.949 -1.645 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.877 -11.938 -3.074 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.570 -10.278 -0.630 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.165 -12.010 -0.702 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.325 -11.070 -2.205 1.00 0.00 H new ATOM 268 N GLY A 18 -1.976 -12.676 -0.147 1.00 0.00 N ATOM 269 CA GLY A 18 -3.441 -12.531 0.070 1.00 0.00 C ATOM 270 C GLY A 18 -3.869 -11.462 1.107 1.00 0.00 C ATOM 271 O GLY A 18 -4.857 -10.764 0.877 1.00 0.00 O ATOM 0 H GLY A 18 -1.587 -13.539 0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.908 -12.290 -0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.839 -13.495 0.386 1.00 0.00 H new ATOM 275 N LEU A 19 -3.111 -11.317 2.210 1.00 0.00 N ATOM 276 CA LEU A 19 -3.226 -10.188 3.182 1.00 0.00 C ATOM 277 C LEU A 19 -3.437 -8.746 2.563 1.00 0.00 C ATOM 278 O LEU A 19 -4.485 -8.184 2.886 1.00 0.00 O ATOM 279 CB LEU A 19 -2.038 -10.349 4.180 1.00 0.00 C ATOM 280 CG LEU A 19 -2.109 -9.583 5.533 1.00 0.00 C ATOM 281 CD1 LEU A 19 -1.110 -10.190 6.539 1.00 0.00 C ATOM 282 CD2 LEU A 19 -1.828 -8.071 5.416 1.00 0.00 C ATOM 0 H LEU A 19 -2.386 -11.987 2.465 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.171 -10.258 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.931 -11.411 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.128 -10.038 3.668 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.137 -9.694 5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.168 -9.647 7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.356 -11.238 6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.099 -10.115 6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.897 -7.611 6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.827 -7.917 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.561 -7.615 4.751 1.00 0.00 H new ATOM 294 N PRO A 20 -2.591 -8.131 1.673 1.00 0.00 N ATOM 295 CA PRO A 20 -2.907 -6.860 0.952 1.00 0.00 C ATOM 296 C PRO A 20 -4.223 -6.718 0.127 1.00 0.00 C ATOM 297 O PRO A 20 -4.689 -5.584 -0.020 1.00 0.00 O ATOM 298 CB PRO A 20 -1.655 -6.650 0.084 1.00 0.00 C ATOM 299 CG PRO A 20 -0.895 -7.961 0.042 1.00 0.00 C ATOM 300 CD PRO A 20 -1.234 -8.604 1.369 1.00 0.00 C ATOM 0 HA PRO A 20 -3.129 -6.098 1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.936 -6.339 -0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.030 -5.859 0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.209 -8.581 -0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.178 -7.801 -0.065 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.198 -9.691 1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.528 -8.308 2.145 1.00 0.00 H new ATOM 308 N ALA A 21 -4.846 -7.808 -0.368 1.00 0.00 N ATOM 309 CA ALA A 21 -6.244 -7.759 -0.886 1.00 0.00 C ATOM 310 C ALA A 21 -7.325 -7.269 0.138 1.00 0.00 C ATOM 311 O ALA A 21 -8.164 -6.445 -0.227 1.00 0.00 O ATOM 312 CB ALA A 21 -6.595 -9.129 -1.495 1.00 0.00 C ATOM 0 H ALA A 21 -4.413 -8.730 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.269 -6.985 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.615 -9.106 -1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.907 -9.352 -2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.512 -9.900 -0.729 1.00 0.00 H new ATOM 318 N ILE A 22 -7.267 -7.710 1.412 1.00 0.00 N ATOM 319 CA ILE A 22 -7.998 -7.072 2.548 1.00 0.00 C ATOM 320 C ILE A 22 -7.292 -5.747 3.027 1.00 0.00 C ATOM 321 O ILE A 22 -7.957 -4.713 3.116 1.00 0.00 O ATOM 322 CB ILE A 22 -8.245 -8.080 3.738 1.00 0.00 C ATOM 323 CG1 ILE A 22 -8.734 -9.510 3.335 1.00 0.00 C ATOM 324 CG2 ILE A 22 -9.250 -7.493 4.765 1.00 0.00 C ATOM 325 CD1 ILE A 22 -7.608 -10.543 3.146 1.00 0.00 C ATOM 0 H ILE A 22 -6.713 -8.520 1.692 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.982 -6.789 2.174 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.252 -8.206 4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.419 -9.875 4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.302 -9.437 2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.402 -8.207 5.574 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.853 -6.563 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.202 -7.296 4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.039 -11.505 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.934 -10.206 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.053 -10.650 4.078 1.00 0.00 H new ATOM 337 N GLY A 23 -5.980 -5.784 3.351 1.00 0.00 N ATOM 338 CA GLY A 23 -5.224 -4.650 3.949 1.00 0.00 C ATOM 339 C GLY A 23 -5.252 -3.283 3.235 1.00 0.00 C ATOM 340 O GLY A 23 -5.708 -2.302 3.822 1.00 0.00 O ATOM 0 H GLY A 23 -5.404 -6.613 3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.597 -4.501 4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.182 -4.957 4.035 1.00 0.00 H new ATOM 344 N ALA A 24 -4.779 -3.226 1.982 1.00 0.00 N ATOM 345 CA ALA A 24 -4.904 -2.017 1.125 1.00 0.00 C ATOM 346 C ALA A 24 -6.295 -1.666 0.507 1.00 0.00 C ATOM 347 O ALA A 24 -6.508 -0.514 0.119 1.00 0.00 O ATOM 348 CB ALA A 24 -3.831 -2.138 0.045 1.00 0.00 C ATOM 0 H ALA A 24 -4.301 -4.005 1.528 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.772 -1.168 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.879 -1.272 -0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.848 -2.184 0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.999 -3.045 -0.535 1.00 0.00 H new ATOM 354 N ALA A 25 -7.244 -2.612 0.473 1.00 0.00 N ATOM 355 CA ALA A 25 -8.698 -2.293 0.311 1.00 0.00 C ATOM 356 C ALA A 25 -9.336 -1.505 1.504 1.00 0.00 C ATOM 357 O ALA A 25 -9.973 -0.471 1.279 1.00 0.00 O ATOM 358 CB ALA A 25 -9.468 -3.587 -0.003 1.00 0.00 C ATOM 0 H ALA A 25 -7.046 -3.609 0.554 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.777 -1.600 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.527 -3.360 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.085 -4.024 -0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.338 -4.295 0.815 1.00 0.00 H new ATOM 364 N ILE A 26 -9.088 -1.930 2.763 1.00 0.00 N ATOM 365 CA ILE A 26 -9.214 -1.054 3.978 1.00 0.00 C ATOM 366 C ILE A 26 -8.333 0.255 3.920 1.00 0.00 C ATOM 367 O ILE A 26 -8.781 1.289 4.420 1.00 0.00 O ATOM 368 CB ILE A 26 -8.992 -1.924 5.276 1.00 0.00 C ATOM 369 CG1 ILE A 26 -9.994 -3.109 5.459 1.00 0.00 C ATOM 370 CG2 ILE A 26 -8.919 -1.123 6.603 1.00 0.00 C ATOM 371 CD1 ILE A 26 -11.487 -2.754 5.596 1.00 0.00 C ATOM 0 H ILE A 26 -8.795 -2.883 2.978 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.229 -0.658 4.007 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.005 -2.339 5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.883 -3.780 4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.697 -3.669 6.346 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.765 -1.810 7.435 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.090 -0.417 6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.851 -0.578 6.751 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.069 -3.668 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.631 -2.115 6.467 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.819 -2.228 4.701 1.00 0.00 H new ATOM 383 N GLY A 27 -7.139 0.235 3.288 1.00 0.00 N ATOM 384 CA GLY A 27 -6.388 1.463 2.912 1.00 0.00 C ATOM 385 C GLY A 27 -7.156 2.527 2.091 1.00 0.00 C ATOM 386 O GLY A 27 -7.238 3.671 2.530 1.00 0.00 O ATOM 0 H GLY A 27 -6.666 -0.629 3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.028 1.934 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.509 1.162 2.341 1.00 0.00 H new ATOM 390 N ILE A 28 -7.783 2.157 0.958 1.00 0.00 N ATOM 391 CA ILE A 28 -8.754 3.045 0.238 1.00 0.00 C ATOM 392 C ILE A 28 -9.940 3.519 1.145 1.00 0.00 C ATOM 393 O ILE A 28 -10.047 4.719 1.404 1.00 0.00 O ATOM 394 CB ILE A 28 -9.169 2.401 -1.139 1.00 0.00 C ATOM 395 CG1 ILE A 28 -7.984 2.213 -2.134 1.00 0.00 C ATOM 396 CG2 ILE A 28 -10.329 3.131 -1.871 1.00 0.00 C ATOM 397 CD1 ILE A 28 -7.213 3.494 -2.492 1.00 0.00 C ATOM 0 H ILE A 28 -7.643 1.251 0.511 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.254 3.981 -0.010 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.528 1.418 -0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.284 1.495 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.370 1.773 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.547 2.619 -2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.218 3.126 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.037 4.160 -2.079 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.411 3.253 -3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.892 4.210 -2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.789 3.928 -1.587 1.00 0.00 H new ATOM 409 N GLY A 29 -10.786 2.604 1.646 1.00 0.00 N ATOM 410 CA GLY A 29 -11.960 2.959 2.494 1.00 0.00 C ATOM 411 C GLY A 29 -11.726 3.861 3.735 1.00 0.00 C ATOM 412 O GLY A 29 -12.311 4.942 3.836 1.00 0.00 O ATOM 0 H GLY A 29 -10.686 1.602 1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.693 3.454 1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.414 2.030 2.839 1.00 0.00 H new ATOM 416 N ILE A 30 -10.866 3.409 4.658 1.00 0.00 N ATOM 417 CA ILE A 30 -10.547 4.140 5.923 1.00 0.00 C ATOM 418 C ILE A 30 -9.454 5.232 5.696 1.00 0.00 C ATOM 419 O ILE A 30 -9.681 6.358 6.143 1.00 0.00 O ATOM 420 CB ILE A 30 -10.277 3.112 7.091 1.00 0.00 C ATOM 421 CG1 ILE A 30 -11.547 2.382 7.638 1.00 0.00 C ATOM 422 CG2 ILE A 30 -9.573 3.733 8.330 1.00 0.00 C ATOM 423 CD1 ILE A 30 -12.315 1.463 6.672 1.00 0.00 C ATOM 0 H ILE A 30 -10.364 2.526 4.562 1.00 0.00 H new ATOM 0 HA ILE A 30 -11.410 4.718 6.253 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.626 2.395 6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.246 1.786 8.500 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -12.240 3.141 8.001 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.423 2.963 9.087 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.608 4.142 8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.194 4.529 8.740 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -13.170 1.026 7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.664 2.043 5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -11.655 0.668 6.325 1.00 0.00 H new ATOM 435 N LEU A 31 -8.298 4.957 5.057 1.00 0.00 N ATOM 436 CA LEU A 31 -7.257 6.004 4.809 1.00 0.00 C ATOM 437 C LEU A 31 -7.567 6.984 3.619 1.00 0.00 C ATOM 438 O LEU A 31 -7.064 8.110 3.654 1.00 0.00 O ATOM 439 CB LEU A 31 -5.818 5.402 4.792 1.00 0.00 C ATOM 440 CG LEU A 31 -5.437 4.457 5.975 1.00 0.00 C ATOM 441 CD1 LEU A 31 -4.119 3.705 5.723 1.00 0.00 C ATOM 442 CD2 LEU A 31 -5.366 5.193 7.328 1.00 0.00 C ATOM 0 H LEU A 31 -8.053 4.032 4.703 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.300 6.667 5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.692 4.849 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.105 6.226 4.772 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.246 3.728 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.899 3.061 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.213 3.097 4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.310 4.423 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.097 4.486 8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.614 5.980 7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.337 5.634 7.554 1.00 0.00 H new ATOM 454 N GLY A 32 -8.437 6.642 2.637 1.00 0.00 N ATOM 455 CA GLY A 32 -9.154 7.649 1.805 1.00 0.00 C ATOM 456 C GLY A 32 -10.267 8.475 2.501 1.00 0.00 C ATOM 457 O GLY A 32 -10.318 9.693 2.311 1.00 0.00 O ATOM 0 H GLY A 32 -8.662 5.676 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.416 8.345 1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.598 7.131 0.955 1.00 0.00 H new ATOM 461 N GLY A 33 -11.131 7.847 3.328 1.00 0.00 N ATOM 462 CA GLY A 33 -12.022 8.583 4.273 1.00 0.00 C ATOM 463 C GLY A 33 -11.338 9.583 5.246 1.00 0.00 C ATOM 464 O GLY A 33 -11.712 10.758 5.287 1.00 0.00 O ATOM 0 H GLY A 33 -11.236 6.833 3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.760 9.130 3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.567 7.849 4.867 1.00 0.00 H new ATOM 468 N LYS A 34 -10.293 9.128 5.960 1.00 0.00 N ATOM 469 CA LYS A 34 -9.327 10.016 6.674 1.00 0.00 C ATOM 470 C LYS A 34 -8.613 11.122 5.812 1.00 0.00 C ATOM 471 O LYS A 34 -8.446 12.238 6.304 1.00 0.00 O ATOM 472 CB LYS A 34 -8.306 9.099 7.400 1.00 0.00 C ATOM 473 CG LYS A 34 -7.559 9.765 8.573 1.00 0.00 C ATOM 474 CD LYS A 34 -6.493 8.840 9.194 1.00 0.00 C ATOM 475 CE LYS A 34 -5.702 9.530 10.318 1.00 0.00 C ATOM 476 NZ LYS A 34 -4.692 8.613 10.879 1.00 0.00 N ATOM 0 H LYS A 34 -10.085 8.135 6.065 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.908 10.619 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.830 8.220 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.573 8.748 6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.082 10.680 8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.277 10.053 9.341 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.977 7.947 9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.803 8.512 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.214 10.424 9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.384 9.854 11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.168 9.096 11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.164 7.772 11.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.031 8.324 10.130 1.00 0.00 H new ATOM 489 N PHE A 35 -8.234 10.849 4.543 1.00 0.00 N ATOM 490 CA PHE A 35 -7.828 11.888 3.549 1.00 0.00 C ATOM 491 C PHE A 35 -8.865 13.021 3.297 1.00 0.00 C ATOM 492 O PHE A 35 -8.466 14.182 3.224 1.00 0.00 O ATOM 493 CB PHE A 35 -7.289 11.200 2.244 1.00 0.00 C ATOM 494 CG PHE A 35 -7.402 11.937 0.894 1.00 0.00 C ATOM 495 CD1 PHE A 35 -8.536 11.792 0.086 1.00 0.00 C ATOM 496 CD2 PHE A 35 -6.382 12.799 0.493 1.00 0.00 C ATOM 497 CE1 PHE A 35 -8.644 12.507 -1.105 1.00 0.00 C ATOM 498 CE2 PHE A 35 -6.492 13.518 -0.695 1.00 0.00 C ATOM 499 CZ PHE A 35 -7.622 13.370 -1.493 1.00 0.00 C ATOM 0 H PHE A 35 -8.199 9.900 4.171 1.00 0.00 H new ATOM 0 HA PHE A 35 -7.008 12.447 4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -6.235 10.974 2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.807 10.247 2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -9.329 11.124 0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.501 12.910 1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.520 12.392 -1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.701 14.189 -0.996 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.707 13.925 -2.415 1.00 0.00 H new ATOM 509 N LEU A 36 -10.161 12.707 3.140 1.00 0.00 N ATOM 510 CA LEU A 36 -11.224 13.718 3.019 1.00 0.00 C ATOM 511 C LEU A 36 -11.429 14.529 4.345 1.00 0.00 C ATOM 512 O LEU A 36 -11.555 15.752 4.273 1.00 0.00 O ATOM 513 CB LEU A 36 -12.424 12.954 2.378 1.00 0.00 C ATOM 514 CG LEU A 36 -13.781 13.677 2.181 1.00 0.00 C ATOM 515 CD1 LEU A 36 -14.516 13.769 3.524 1.00 0.00 C ATOM 516 CD2 LEU A 36 -13.663 15.049 1.487 1.00 0.00 C ATOM 0 H LEU A 36 -10.501 11.747 3.093 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.998 14.557 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.099 12.600 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.612 12.071 2.990 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.371 13.074 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.470 14.278 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.694 12.766 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.908 14.329 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.654 15.492 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.032 15.706 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.220 14.920 0.499 1.00 0.00 H new ATOM 528 N GLU A 37 -11.445 13.897 5.542 1.00 0.00 N ATOM 529 CA GLU A 37 -11.347 14.594 6.849 1.00 0.00 C ATOM 530 C GLU A 37 -10.132 15.571 7.010 1.00 0.00 C ATOM 531 O GLU A 37 -10.306 16.696 7.487 1.00 0.00 O ATOM 532 CB GLU A 37 -11.366 13.455 7.910 1.00 0.00 C ATOM 533 CG GLU A 37 -11.989 13.822 9.263 1.00 0.00 C ATOM 534 CD GLU A 37 -11.149 14.725 10.171 1.00 0.00 C ATOM 535 OE1 GLU A 37 -11.395 15.913 10.366 1.00 0.00 O ATOM 536 OE2 GLU A 37 -10.099 14.059 10.738 1.00 0.00 O ATOM 0 H GLU A 37 -11.527 12.884 5.630 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.181 15.286 6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.912 12.607 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.342 13.123 8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.944 14.315 9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.205 12.900 9.802 1.00 0.00 H new ATOM 544 N GLY A 38 -8.936 15.167 6.537 1.00 0.00 N ATOM 545 CA GLY A 38 -7.816 16.099 6.277 1.00 0.00 C ATOM 546 C GLY A 38 -8.025 17.190 5.201 1.00 0.00 C ATOM 547 O GLY A 38 -7.477 18.275 5.373 1.00 0.00 O ATOM 0 H GLY A 38 -8.718 14.193 6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.568 16.596 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.947 15.507 5.990 1.00 0.00 H new ATOM 551 N ALA A 39 -8.791 16.929 4.120 1.00 0.00 N ATOM 552 CA ALA A 39 -9.077 17.954 3.075 1.00 0.00 C ATOM 553 C ALA A 39 -10.102 19.050 3.498 1.00 0.00 C ATOM 554 O ALA A 39 -9.908 20.223 3.166 1.00 0.00 O ATOM 555 CB ALA A 39 -9.511 17.230 1.787 1.00 0.00 C ATOM 0 H ALA A 39 -9.224 16.023 3.942 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.157 18.514 2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.725 17.965 1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.710 16.571 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.406 16.641 1.985 1.00 0.00 H new ATOM 561 N ALA A 40 -11.147 18.682 4.268 1.00 0.00 N ATOM 562 CA ALA A 40 -11.981 19.649 5.029 1.00 0.00 C ATOM 563 C ALA A 40 -11.228 20.511 6.100 1.00 0.00 C ATOM 564 O ALA A 40 -11.508 21.707 6.217 1.00 0.00 O ATOM 565 CB ALA A 40 -13.130 18.832 5.650 1.00 0.00 C ATOM 0 H ALA A 40 -11.439 17.712 4.383 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.338 20.411 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.778 19.494 6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.707 18.356 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.718 18.067 6.309 1.00 0.00 H new ATOM 571 N ARG A 41 -10.270 19.925 6.848 1.00 0.00 N ATOM 572 CA ARG A 41 -9.407 20.652 7.814 1.00 0.00 C ATOM 573 C ARG A 41 -8.347 21.597 7.148 1.00 0.00 C ATOM 574 O ARG A 41 -8.374 22.806 7.392 1.00 0.00 O ATOM 575 CB ARG A 41 -8.837 19.546 8.741 1.00 0.00 C ATOM 576 CG ARG A 41 -8.082 20.030 9.993 1.00 0.00 C ATOM 577 CD ARG A 41 -7.538 18.829 10.784 1.00 0.00 C ATOM 578 NE ARG A 41 -6.682 19.291 11.903 1.00 0.00 N ATOM 579 CZ ARG A 41 -5.801 18.529 12.566 1.00 0.00 C ATOM 580 NH1 ARG A 41 -5.589 17.249 12.316 1.00 0.00 N ATOM 581 NH2 ARG A 41 -5.110 19.092 13.522 1.00 0.00 N ATOM 0 H ARG A 41 -10.069 18.926 6.801 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.970 21.382 8.395 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.662 18.910 9.063 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.163 18.921 8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.261 20.684 9.701 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.749 20.618 10.624 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.366 18.236 11.172 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.964 18.180 10.123 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.771 20.266 12.191 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.113 16.780 11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.901 16.730 12.862 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.251 20.078 13.740 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.430 18.545 14.050 1.00 0.00 H new ATOM 594 N GLN A 42 -7.433 21.058 6.320 1.00 0.00 N ATOM 595 CA GLN A 42 -6.501 21.855 5.483 1.00 0.00 C ATOM 596 C GLN A 42 -6.110 21.007 4.225 1.00 0.00 C ATOM 597 O GLN A 42 -5.468 19.964 4.409 1.00 0.00 O ATOM 598 CB GLN A 42 -5.225 22.288 6.266 1.00 0.00 C ATOM 599 CG GLN A 42 -4.754 23.734 6.004 1.00 0.00 C ATOM 600 CD GLN A 42 -3.887 23.920 4.748 1.00 0.00 C ATOM 601 OE1 GLN A 42 -4.376 23.974 3.624 1.00 0.00 O ATOM 602 NE2 GLN A 42 -2.582 24.025 4.900 1.00 0.00 N ATOM 0 H GLN A 42 -7.315 20.051 6.208 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.006 22.773 5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.416 22.173 7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.413 21.606 6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.631 24.376 5.919 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.190 24.078 6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.172 23.981 5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.982 24.151 4.085 1.00 0.00 H new ATOM 611 N PRO A 43 -6.388 21.396 2.946 1.00 0.00 N ATOM 612 CA PRO A 43 -5.933 20.621 1.752 1.00 0.00 C ATOM 613 C PRO A 43 -4.404 20.513 1.430 1.00 0.00 C ATOM 614 O PRO A 43 -4.041 19.764 0.520 1.00 0.00 O ATOM 615 CB PRO A 43 -6.762 21.263 0.626 1.00 0.00 C ATOM 616 CG PRO A 43 -7.052 22.691 1.090 1.00 0.00 C ATOM 617 CD PRO A 43 -7.212 22.570 2.605 1.00 0.00 C ATOM 0 HA PRO A 43 -6.096 19.557 1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.212 21.261 -0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.686 20.711 0.456 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.238 23.367 0.829 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.956 23.085 0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.865 23.467 3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.254 22.424 2.888 1.00 0.00 H new ATOM 625 N ASP A 44 -3.518 21.172 2.197 1.00 0.00 N ATOM 626 CA ASP A 44 -2.097 20.745 2.332 1.00 0.00 C ATOM 627 C ASP A 44 -1.669 20.689 3.840 1.00 0.00 C ATOM 628 O ASP A 44 -0.731 21.373 4.261 1.00 0.00 O ATOM 629 CB ASP A 44 -1.225 21.650 1.417 1.00 0.00 C ATOM 630 CG ASP A 44 0.210 21.155 1.207 1.00 0.00 C ATOM 631 OD1 ASP A 44 1.193 21.674 1.728 1.00 0.00 O ATOM 632 OD2 ASP A 44 0.268 20.075 0.373 1.00 0.00 O ATOM 0 H ASP A 44 -3.753 22.005 2.737 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.950 19.722 1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.711 21.736 0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.190 22.651 1.846 1.00 0.00 H new ATOM 638 N LEU A 45 -2.318 19.817 4.643 1.00 0.00 N ATOM 639 CA LEU A 45 -1.831 19.445 6.007 1.00 0.00 C ATOM 640 C LEU A 45 -0.718 18.338 5.941 1.00 0.00 C ATOM 641 O LEU A 45 -0.595 17.600 4.957 1.00 0.00 O ATOM 642 CB LEU A 45 -3.027 19.015 6.924 1.00 0.00 C ATOM 643 CG LEU A 45 -3.286 19.914 8.168 1.00 0.00 C ATOM 644 CD1 LEU A 45 -4.648 19.574 8.794 1.00 0.00 C ATOM 645 CD2 LEU A 45 -2.207 19.852 9.264 1.00 0.00 C ATOM 0 H LEU A 45 -3.185 19.351 4.376 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.371 20.327 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.934 18.994 6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.849 17.996 7.267 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.263 20.932 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.818 20.209 9.663 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.437 19.743 8.062 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.656 18.528 9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.483 20.514 10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.123 18.830 9.635 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.249 20.168 8.850 1.00 0.00 H new ATOM 657 N ILE A 46 0.050 18.168 7.037 1.00 0.00 N ATOM 658 CA ILE A 46 0.980 17.003 7.223 1.00 0.00 C ATOM 659 C ILE A 46 0.182 15.636 7.274 1.00 0.00 C ATOM 660 O ILE A 46 0.451 14.824 6.385 1.00 0.00 O ATOM 661 CB ILE A 46 2.013 17.245 8.389 1.00 0.00 C ATOM 662 CG1 ILE A 46 2.911 18.503 8.159 1.00 0.00 C ATOM 663 CG2 ILE A 46 2.923 16.011 8.639 1.00 0.00 C ATOM 664 CD1 ILE A 46 3.650 19.027 9.402 1.00 0.00 C ATOM 0 H ILE A 46 0.053 18.821 7.820 1.00 0.00 H new ATOM 0 HA ILE A 46 1.616 16.913 6.342 1.00 0.00 H new ATOM 0 HB ILE A 46 1.398 17.419 9.272 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.649 18.266 7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.288 19.305 7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.616 16.229 9.451 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.307 15.153 8.908 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.485 15.784 7.733 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.243 19.900 9.131 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.924 19.304 10.167 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.307 18.248 9.790 1.00 0.00 H new ATOM 676 N PRO A 47 -0.814 15.344 8.170 1.00 0.00 N ATOM 677 CA PRO A 47 -1.756 14.194 8.004 1.00 0.00 C ATOM 678 C PRO A 47 -2.569 14.060 6.671 1.00 0.00 C ATOM 679 O PRO A 47 -2.927 12.937 6.311 1.00 0.00 O ATOM 680 CB PRO A 47 -2.656 14.298 9.254 1.00 0.00 C ATOM 681 CG PRO A 47 -2.519 15.740 9.742 1.00 0.00 C ATOM 682 CD PRO A 47 -1.077 16.110 9.400 1.00 0.00 C ATOM 0 HA PRO A 47 -1.178 13.274 7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.692 14.063 9.011 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.341 13.593 10.023 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.229 16.399 9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.708 15.819 10.813 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.964 17.182 9.238 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.390 15.834 10.200 1.00 0.00 H new ATOM 690 N LEU A 48 -2.822 15.150 5.916 1.00 0.00 N ATOM 691 CA LEU A 48 -3.310 15.065 4.505 1.00 0.00 C ATOM 692 C LEU A 48 -2.272 14.452 3.510 1.00 0.00 C ATOM 693 O LEU A 48 -2.616 13.508 2.795 1.00 0.00 O ATOM 694 CB LEU A 48 -3.866 16.460 4.104 1.00 0.00 C ATOM 695 CG LEU A 48 -4.562 16.686 2.733 1.00 0.00 C ATOM 696 CD1 LEU A 48 -3.609 16.713 1.523 1.00 0.00 C ATOM 697 CD2 LEU A 48 -5.711 15.699 2.490 1.00 0.00 C ATOM 0 H LEU A 48 -2.699 16.105 6.252 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.123 14.342 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.579 16.752 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.034 17.162 4.158 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.976 17.691 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.183 16.876 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.887 17.521 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.081 15.762 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.164 15.900 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.325 14.680 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.462 15.815 3.271 1.00 0.00 H new ATOM 709 N LEU A 49 -1.017 14.940 3.487 1.00 0.00 N ATOM 710 CA LEU A 49 0.113 14.283 2.758 1.00 0.00 C ATOM 711 C LEU A 49 0.462 12.823 3.189 1.00 0.00 C ATOM 712 O LEU A 49 0.790 12.016 2.315 1.00 0.00 O ATOM 713 CB LEU A 49 1.359 15.213 2.804 1.00 0.00 C ATOM 714 CG LEU A 49 1.243 16.591 2.087 1.00 0.00 C ATOM 715 CD1 LEU A 49 2.427 17.498 2.464 1.00 0.00 C ATOM 716 CD2 LEU A 49 1.151 16.456 0.554 1.00 0.00 C ATOM 0 H LEU A 49 -0.746 15.798 3.968 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.235 14.151 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.606 15.396 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.200 14.674 2.367 1.00 0.00 H new ATOM 0 HG LEU A 49 0.313 17.045 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.328 18.456 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.432 17.660 3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.360 17.021 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.072 17.446 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.045 15.958 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.271 15.868 0.293 1.00 0.00 H new ATOM 728 N ARG A 50 0.318 12.462 4.480 1.00 0.00 N ATOM 729 CA ARG A 50 0.278 11.039 4.930 1.00 0.00 C ATOM 730 C ARG A 50 -0.857 10.196 4.277 1.00 0.00 C ATOM 731 O ARG A 50 -0.578 9.146 3.704 1.00 0.00 O ATOM 732 CB ARG A 50 0.135 10.962 6.476 1.00 0.00 C ATOM 733 CG ARG A 50 1.318 11.472 7.332 1.00 0.00 C ATOM 734 CD ARG A 50 2.587 10.608 7.225 1.00 0.00 C ATOM 735 NE ARG A 50 3.638 11.138 8.129 1.00 0.00 N ATOM 736 CZ ARG A 50 4.878 10.643 8.236 1.00 0.00 C ATOM 737 NH1 ARG A 50 5.327 9.611 7.544 1.00 0.00 N ATOM 738 NH2 ARG A 50 5.693 11.221 9.079 1.00 0.00 N ATOM 0 H ARG A 50 0.226 13.135 5.241 1.00 0.00 H new ATOM 0 HA ARG A 50 1.224 10.607 4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.753 11.527 6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.050 9.922 6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.559 12.491 7.030 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.006 11.514 8.376 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.357 9.575 7.487 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.948 10.603 6.197 1.00 0.00 H new ATOM 0 HE ARG A 50 3.398 11.939 8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.716 9.139 6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.285 9.286 7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.377 12.021 9.628 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.645 10.872 9.188 1.00 0.00 H new ATOM 751 N THR A 51 -2.116 10.649 4.365 1.00 0.00 N ATOM 752 CA THR A 51 -3.303 9.934 3.853 1.00 0.00 C ATOM 753 C THR A 51 -3.417 9.816 2.296 1.00 0.00 C ATOM 754 O THR A 51 -3.789 8.736 1.832 1.00 0.00 O ATOM 755 CB THR A 51 -4.543 10.554 4.551 1.00 0.00 C ATOM 756 OG1 THR A 51 -4.605 11.966 4.401 1.00 0.00 O ATOM 757 CG2 THR A 51 -4.736 10.215 6.034 1.00 0.00 C ATOM 0 H THR A 51 -2.347 11.541 4.803 1.00 0.00 H new ATOM 0 HA THR A 51 -3.214 8.879 4.112 1.00 0.00 H new ATOM 0 HB THR A 51 -5.360 10.070 4.016 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.098 12.394 5.122 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.635 10.707 6.406 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.838 9.136 6.150 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.872 10.561 6.602 1.00 0.00 H new ATOM 765 N GLN A 52 -3.053 10.834 1.480 1.00 0.00 N ATOM 766 CA GLN A 52 -2.808 10.655 0.015 1.00 0.00 C ATOM 767 C GLN A 52 -1.620 9.721 -0.384 1.00 0.00 C ATOM 768 O GLN A 52 -1.775 8.877 -1.275 1.00 0.00 O ATOM 769 CB GLN A 52 -2.851 11.991 -0.773 1.00 0.00 C ATOM 770 CG GLN A 52 -1.731 13.024 -0.516 1.00 0.00 C ATOM 771 CD GLN A 52 -0.474 12.898 -1.395 1.00 0.00 C ATOM 772 OE1 GLN A 52 -0.540 12.924 -2.621 1.00 0.00 O ATOM 773 NE2 GLN A 52 0.702 12.788 -0.809 1.00 0.00 N ATOM 0 H GLN A 52 -2.921 11.792 1.805 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.670 10.074 -0.313 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.846 11.751 -1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.805 12.473 -0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.147 14.022 -0.655 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.428 12.947 0.528 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.765 12.766 0.209 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.549 12.725 -1.374 1.00 0.00 H new ATOM 782 N PHE A 53 -0.476 9.809 0.328 1.00 0.00 N ATOM 783 CA PHE A 53 0.569 8.739 0.315 1.00 0.00 C ATOM 784 C PHE A 53 0.032 7.294 0.625 1.00 0.00 C ATOM 785 O PHE A 53 0.333 6.373 -0.133 1.00 0.00 O ATOM 786 CB PHE A 53 1.746 9.205 1.221 1.00 0.00 C ATOM 787 CG PHE A 53 2.916 8.226 1.419 1.00 0.00 C ATOM 788 CD1 PHE A 53 3.833 7.989 0.389 1.00 0.00 C ATOM 789 CD2 PHE A 53 3.072 7.564 2.642 1.00 0.00 C ATOM 790 CE1 PHE A 53 4.892 7.104 0.583 1.00 0.00 C ATOM 791 CE2 PHE A 53 4.132 6.683 2.835 1.00 0.00 C ATOM 792 CZ PHE A 53 5.043 6.455 1.806 1.00 0.00 C ATOM 0 H PHE A 53 -0.244 10.606 0.921 1.00 0.00 H new ATOM 0 HA PHE A 53 0.936 8.615 -0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.147 10.129 0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.340 9.448 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.720 8.493 -0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.366 7.738 3.441 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.596 6.921 -0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.248 6.176 3.782 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.868 5.774 1.957 1.00 0.00 H new ATOM 802 N PHE A 54 -0.791 7.118 1.676 1.00 0.00 N ATOM 803 CA PHE A 54 -1.478 5.847 2.001 1.00 0.00 C ATOM 804 C PHE A 54 -2.531 5.326 0.962 1.00 0.00 C ATOM 805 O PHE A 54 -2.662 4.110 0.812 1.00 0.00 O ATOM 806 CB PHE A 54 -2.118 5.992 3.411 1.00 0.00 C ATOM 807 CG PHE A 54 -1.257 6.304 4.666 1.00 0.00 C ATOM 808 CD1 PHE A 54 0.125 6.071 4.728 1.00 0.00 C ATOM 809 CD2 PHE A 54 -1.899 6.856 5.781 1.00 0.00 C ATOM 810 CE1 PHE A 54 0.848 6.403 5.870 1.00 0.00 C ATOM 811 CE2 PHE A 54 -1.176 7.181 6.926 1.00 0.00 C ATOM 812 CZ PHE A 54 0.196 6.955 6.968 1.00 0.00 C ATOM 0 H PHE A 54 -1.003 7.866 2.336 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.708 5.076 1.970 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.869 6.779 3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.649 5.062 3.615 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.632 5.630 3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.964 7.031 5.753 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.914 6.232 5.904 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.680 7.608 7.780 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.757 7.209 7.856 1.00 0.00 H new ATOM 822 N ILE A 55 -3.238 6.208 0.221 1.00 0.00 N ATOM 823 CA ILE A 55 -3.985 5.838 -1.027 1.00 0.00 C ATOM 824 C ILE A 55 -3.051 5.178 -2.105 1.00 0.00 C ATOM 825 O ILE A 55 -3.395 4.105 -2.609 1.00 0.00 O ATOM 826 CB ILE A 55 -4.807 7.069 -1.579 1.00 0.00 C ATOM 827 CG1 ILE A 55 -5.932 7.544 -0.609 1.00 0.00 C ATOM 828 CG2 ILE A 55 -5.432 6.843 -2.986 1.00 0.00 C ATOM 829 CD1 ILE A 55 -6.543 8.916 -0.947 1.00 0.00 C ATOM 0 H ILE A 55 -3.314 7.197 0.461 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.712 5.068 -0.768 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.049 7.848 -1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.728 6.799 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.527 7.582 0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.978 7.736 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.641 6.639 -3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.116 5.995 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.315 9.160 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.764 9.678 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.983 8.883 -1.944 1.00 0.00 H new ATOM 841 N VAL A 56 -1.904 5.805 -2.456 1.00 0.00 N ATOM 842 CA VAL A 56 -0.978 5.279 -3.505 1.00 0.00 C ATOM 843 C VAL A 56 -0.222 4.010 -3.002 1.00 0.00 C ATOM 844 O VAL A 56 -0.501 2.926 -3.515 1.00 0.00 O ATOM 845 CB VAL A 56 -0.069 6.424 -4.085 1.00 0.00 C ATOM 846 CG1 VAL A 56 0.912 5.933 -5.178 1.00 0.00 C ATOM 847 CG2 VAL A 56 -0.862 7.610 -4.687 1.00 0.00 C ATOM 0 H VAL A 56 -1.591 6.678 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.556 4.931 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 56 0.483 6.761 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.509 6.772 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.570 5.171 -4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.348 5.509 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.166 8.358 -5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.489 7.251 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.490 8.056 -3.916 1.00 0.00 H new ATOM 857 N MET A 57 0.690 4.109 -2.011 1.00 0.00 N ATOM 858 CA MET A 57 1.443 2.940 -1.483 1.00 0.00 C ATOM 859 C MET A 57 0.601 1.760 -0.886 1.00 0.00 C ATOM 860 O MET A 57 0.990 0.603 -1.060 1.00 0.00 O ATOM 861 CB MET A 57 2.635 3.389 -0.599 1.00 0.00 C ATOM 862 CG MET A 57 2.329 3.736 0.867 1.00 0.00 C ATOM 863 SD MET A 57 2.195 2.224 1.847 1.00 0.00 S ATOM 864 CE MET A 57 1.598 2.894 3.408 1.00 0.00 C ATOM 0 H MET A 57 0.927 4.990 -1.555 1.00 0.00 H new ATOM 0 HA MET A 57 1.852 2.459 -2.371 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.382 2.595 -0.610 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.091 4.262 -1.065 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.117 4.372 1.271 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.400 4.302 0.929 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.463 2.083 4.124 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.324 3.607 3.799 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.645 3.398 3.247 1.00 0.00 H new ATOM 874 N GLY A 58 -0.558 2.043 -0.247 1.00 0.00 N ATOM 875 CA GLY A 58 -1.571 1.025 0.097 1.00 0.00 C ATOM 876 C GLY A 58 -2.113 0.272 -1.125 1.00 0.00 C ATOM 877 O GLY A 58 -1.728 -0.884 -1.306 1.00 0.00 O ATOM 0 H GLY A 58 -0.815 2.986 0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.134 0.308 0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.400 1.508 0.615 1.00 0.00 H new ATOM 881 N LEU A 59 -2.943 0.874 -1.998 1.00 0.00 N ATOM 882 CA LEU A 59 -3.391 0.191 -3.264 1.00 0.00 C ATOM 883 C LEU A 59 -2.279 -0.455 -4.180 1.00 0.00 C ATOM 884 O LEU A 59 -2.557 -1.394 -4.930 1.00 0.00 O ATOM 885 CB LEU A 59 -4.333 1.159 -4.031 1.00 0.00 C ATOM 886 CG LEU A 59 -5.226 0.549 -5.150 1.00 0.00 C ATOM 887 CD1 LEU A 59 -6.251 -0.475 -4.615 1.00 0.00 C ATOM 888 CD2 LEU A 59 -5.971 1.661 -5.909 1.00 0.00 C ATOM 0 H LEU A 59 -3.320 1.813 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.923 -0.707 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.986 1.641 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.721 1.942 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.552 0.018 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.843 -0.864 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.725 -1.296 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.910 0.011 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.591 1.217 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.602 2.215 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.248 2.339 -6.363 1.00 0.00 H new ATOM 900 N VAL A 60 -1.022 -0.004 -4.036 1.00 0.00 N ATOM 901 CA VAL A 60 0.191 -0.711 -4.546 1.00 0.00 C ATOM 902 C VAL A 60 0.591 -2.016 -3.775 1.00 0.00 C ATOM 903 O VAL A 60 0.985 -2.979 -4.437 1.00 0.00 O ATOM 904 CB VAL A 60 1.359 0.332 -4.715 1.00 0.00 C ATOM 905 CG1 VAL A 60 2.777 -0.244 -4.946 1.00 0.00 C ATOM 906 CG2 VAL A 60 1.100 1.366 -5.836 1.00 0.00 C ATOM 0 H VAL A 60 -0.804 0.871 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.058 -1.120 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 60 1.350 0.802 -3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.490 0.574 -5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.059 -0.869 -4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.782 -0.844 -5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.943 2.054 -5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.983 0.849 -6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.191 1.925 -5.612 1.00 0.00 H new ATOM 916 N ASP A 61 0.469 -2.093 -2.431 1.00 0.00 N ATOM 917 CA ASP A 61 0.439 -3.381 -1.680 1.00 0.00 C ATOM 918 C ASP A 61 -0.607 -4.373 -2.274 1.00 0.00 C ATOM 919 O ASP A 61 -0.191 -5.406 -2.795 1.00 0.00 O ATOM 920 CB ASP A 61 0.192 -3.136 -0.157 1.00 0.00 C ATOM 921 CG ASP A 61 1.254 -2.336 0.602 1.00 0.00 C ATOM 922 OD1 ASP A 61 1.005 -1.322 1.249 1.00 0.00 O ATOM 923 OD2 ASP A 61 2.498 -2.893 0.503 1.00 0.00 O ATOM 0 H ASP A 61 0.388 -1.271 -1.833 1.00 0.00 H new ATOM 0 HA ASP A 61 1.419 -3.846 -1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.762 -2.620 -0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.088 -4.106 0.329 1.00 0.00 H new ATOM 929 N ALA A 62 -1.915 -4.025 -2.284 1.00 0.00 N ATOM 930 CA ALA A 62 -2.970 -4.779 -3.043 1.00 0.00 C ATOM 931 C ALA A 62 -2.568 -5.344 -4.441 1.00 0.00 C ATOM 932 O ALA A 62 -2.436 -6.560 -4.552 1.00 0.00 O ATOM 933 CB ALA A 62 -4.280 -3.965 -3.114 1.00 0.00 C ATOM 0 H ALA A 62 -2.279 -3.221 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.121 -5.682 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.030 -4.530 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.644 -3.772 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.093 -3.018 -3.620 1.00 0.00 H new ATOM 939 N ILE A 63 -2.331 -4.499 -5.462 1.00 0.00 N ATOM 940 CA ILE A 63 -2.139 -4.951 -6.876 1.00 0.00 C ATOM 941 C ILE A 63 -0.781 -5.706 -7.119 1.00 0.00 C ATOM 942 O ILE A 63 -0.796 -6.840 -7.620 1.00 0.00 O ATOM 943 CB ILE A 63 -2.421 -3.757 -7.866 1.00 0.00 C ATOM 944 CG1 ILE A 63 -3.816 -3.066 -7.718 1.00 0.00 C ATOM 945 CG2 ILE A 63 -2.201 -4.119 -9.358 1.00 0.00 C ATOM 946 CD1 ILE A 63 -5.064 -3.951 -7.904 1.00 0.00 C ATOM 0 H ILE A 63 -2.265 -3.488 -5.344 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.879 -5.722 -7.092 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.669 -3.034 -7.551 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.866 -2.615 -6.727 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.868 -2.252 -8.441 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.414 -3.249 -9.979 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.167 -4.428 -9.509 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.868 -4.935 -9.636 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.962 -3.346 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.058 -4.382 -8.905 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.056 -4.751 -7.164 1.00 0.00 H new ATOM 958 N ALA A 64 0.373 -5.089 -6.781 1.00 0.00 N ATOM 959 CA ALA A 64 1.714 -5.688 -6.996 1.00 0.00 C ATOM 960 C ALA A 64 1.962 -7.042 -6.268 1.00 0.00 C ATOM 961 O ALA A 64 2.322 -8.030 -6.919 1.00 0.00 O ATOM 962 CB ALA A 64 2.781 -4.633 -6.638 1.00 0.00 C ATOM 0 H ALA A 64 0.404 -4.164 -6.352 1.00 0.00 H new ATOM 0 HA ALA A 64 1.779 -5.960 -8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.775 -5.055 -6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.657 -3.758 -7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.667 -4.340 -5.594 1.00 0.00 H new ATOM 968 N MET A 65 1.712 -7.103 -4.944 1.00 0.00 N ATOM 969 CA MET A 65 1.780 -8.346 -4.157 1.00 0.00 C ATOM 970 C MET A 65 0.776 -9.442 -4.618 1.00 0.00 C ATOM 971 O MET A 65 1.241 -10.556 -4.871 1.00 0.00 O ATOM 972 CB MET A 65 1.604 -7.997 -2.661 1.00 0.00 C ATOM 973 CG MET A 65 2.639 -7.055 -2.012 1.00 0.00 C ATOM 974 SD MET A 65 4.306 -7.724 -2.186 1.00 0.00 S ATOM 975 CE MET A 65 5.244 -6.456 -1.315 1.00 0.00 C ATOM 0 H MET A 65 1.456 -6.286 -4.390 1.00 0.00 H new ATOM 0 HA MET A 65 2.761 -8.791 -4.324 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.619 -7.548 -2.536 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.602 -8.930 -2.098 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.586 -6.071 -2.478 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.404 -6.920 -0.956 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.303 -6.714 -1.327 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.099 -5.494 -1.807 1.00 0.00 H new ATOM 0 HE3 MET A 65 4.898 -6.392 -0.283 1.00 0.00 H new ATOM 985 N ILE A 66 -0.547 -9.163 -4.766 1.00 0.00 N ATOM 986 CA ILE A 66 -1.538 -10.188 -5.230 1.00 0.00 C ATOM 987 C ILE A 66 -1.167 -10.916 -6.559 1.00 0.00 C ATOM 988 O ILE A 66 -1.123 -12.143 -6.580 1.00 0.00 O ATOM 989 CB ILE A 66 -3.028 -9.681 -5.165 1.00 0.00 C ATOM 990 CG1 ILE A 66 -4.118 -10.787 -5.122 1.00 0.00 C ATOM 991 CG2 ILE A 66 -3.449 -8.718 -6.305 1.00 0.00 C ATOM 992 CD1 ILE A 66 -3.851 -11.963 -4.181 1.00 0.00 C ATOM 0 H ILE A 66 -0.955 -8.248 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.468 -10.985 -4.489 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.993 -9.155 -4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.063 -10.326 -4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.249 -11.178 -6.131 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.491 -8.427 -6.170 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.818 -7.829 -6.282 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.334 -9.220 -7.266 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.680 -12.669 -4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.928 -12.463 -4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.755 -11.597 -3.159 1.00 0.00 H new ATOM 1004 N ALA A 67 -0.820 -10.166 -7.614 1.00 0.00 N ATOM 1005 CA ALA A 67 -0.235 -10.740 -8.857 1.00 0.00 C ATOM 1006 C ALA A 67 1.100 -11.546 -8.732 1.00 0.00 C ATOM 1007 O ALA A 67 1.233 -12.572 -9.406 1.00 0.00 O ATOM 1008 CB ALA A 67 -0.113 -9.573 -9.853 1.00 0.00 C ATOM 0 H ALA A 67 -0.931 -9.152 -7.641 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.911 -11.527 -9.192 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.313 -9.936 -10.788 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.100 -9.152 -10.043 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.535 -8.803 -9.434 1.00 0.00 H new ATOM 1014 N VAL A 68 2.053 -11.140 -7.865 1.00 0.00 N ATOM 1015 CA VAL A 68 3.269 -11.961 -7.540 1.00 0.00 C ATOM 1016 C VAL A 68 2.915 -13.309 -6.807 1.00 0.00 C ATOM 1017 O VAL A 68 3.284 -14.376 -7.309 1.00 0.00 O ATOM 1018 CB VAL A 68 4.346 -11.069 -6.818 1.00 0.00 C ATOM 1019 CG1 VAL A 68 5.562 -11.848 -6.255 1.00 0.00 C ATOM 1020 CG2 VAL A 68 4.921 -9.961 -7.735 1.00 0.00 C ATOM 0 H VAL A 68 2.015 -10.249 -7.370 1.00 0.00 H new ATOM 0 HA VAL A 68 3.728 -12.298 -8.469 1.00 0.00 H new ATOM 0 HB VAL A 68 3.779 -10.643 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.250 -11.152 -5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.218 -12.580 -5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.074 -12.361 -7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.658 -9.378 -7.183 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.396 -10.418 -8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.114 -9.306 -8.065 1.00 0.00 H new ATOM 1030 N GLY A 69 2.223 -13.274 -5.650 1.00 0.00 N ATOM 1031 CA GLY A 69 1.842 -14.506 -4.904 1.00 0.00 C ATOM 1032 C GLY A 69 0.742 -15.422 -5.488 1.00 0.00 C ATOM 1033 O GLY A 69 0.867 -16.641 -5.362 1.00 0.00 O ATOM 0 H GLY A 69 1.913 -12.409 -5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.742 -15.109 -4.781 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.523 -14.202 -3.907 1.00 0.00 H new ATOM 1037 N LEU A 70 -0.299 -14.871 -6.145 1.00 0.00 N ATOM 1038 CA LEU A 70 -1.220 -15.661 -7.022 1.00 0.00 C ATOM 1039 C LEU A 70 -0.503 -16.313 -8.249 1.00 0.00 C ATOM 1040 O LEU A 70 -0.739 -17.492 -8.515 1.00 0.00 O ATOM 1041 CB LEU A 70 -2.439 -14.774 -7.408 1.00 0.00 C ATOM 1042 CG LEU A 70 -3.711 -15.491 -7.947 1.00 0.00 C ATOM 1043 CD1 LEU A 70 -4.973 -14.655 -7.657 1.00 0.00 C ATOM 1044 CD2 LEU A 70 -3.650 -15.777 -9.462 1.00 0.00 C ATOM 0 H LEU A 70 -0.532 -13.880 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.586 -16.519 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.726 -14.197 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.110 -14.061 -8.164 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.755 -16.446 -7.424 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.850 -15.175 -8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.077 -14.515 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.885 -13.683 -8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.566 -16.278 -9.775 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.546 -14.838 -10.006 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.795 -16.418 -9.677 1.00 0.00 H new ATOM 1056 N GLY A 71 0.413 -15.595 -8.935 1.00 0.00 N ATOM 1057 CA GLY A 71 1.422 -16.212 -9.841 1.00 0.00 C ATOM 1058 C GLY A 71 2.165 -17.477 -9.337 1.00 0.00 C ATOM 1059 O GLY A 71 2.076 -18.519 -9.991 1.00 0.00 O ATOM 0 H GLY A 71 0.479 -14.579 -8.881 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.922 -16.467 -10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.170 -15.455 -10.075 1.00 0.00 H new ATOM 1063 N LEU A 72 2.835 -17.416 -8.165 1.00 0.00 N ATOM 1064 CA LEU A 72 3.460 -18.608 -7.533 1.00 0.00 C ATOM 1065 C LEU A 72 2.485 -19.766 -7.135 1.00 0.00 C ATOM 1066 O LEU A 72 2.728 -20.924 -7.487 1.00 0.00 O ATOM 1067 CB LEU A 72 4.365 -18.213 -6.329 1.00 0.00 C ATOM 1068 CG LEU A 72 5.463 -19.271 -6.027 1.00 0.00 C ATOM 1069 CD1 LEU A 72 6.585 -19.323 -7.088 1.00 0.00 C ATOM 1070 CD2 LEU A 72 6.103 -19.026 -4.656 1.00 0.00 C ATOM 0 H LEU A 72 2.959 -16.554 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 72 4.073 -19.026 -8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.839 -17.254 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.744 -18.077 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 72 4.944 -20.229 -6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.314 -20.084 -6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.156 -19.569 -8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.077 -18.352 -7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.867 -19.781 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.559 -18.036 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.338 -19.087 -3.881 1.00 0.00 H new ATOM 1082 N TYR A 73 1.388 -19.434 -6.428 1.00 0.00 N ATOM 1083 CA TYR A 73 0.226 -20.332 -6.196 1.00 0.00 C ATOM 1084 C TYR A 73 -0.281 -21.170 -7.411 1.00 0.00 C ATOM 1085 O TYR A 73 -0.497 -22.374 -7.285 1.00 0.00 O ATOM 1086 CB TYR A 73 -0.905 -19.478 -5.562 1.00 0.00 C ATOM 1087 CG TYR A 73 -2.057 -20.280 -4.938 1.00 0.00 C ATOM 1088 CD1 TYR A 73 -1.902 -20.889 -3.687 1.00 0.00 C ATOM 1089 CD2 TYR A 73 -3.266 -20.420 -5.625 1.00 0.00 C ATOM 1090 CE1 TYR A 73 -2.948 -21.616 -3.125 1.00 0.00 C ATOM 1091 CE2 TYR A 73 -4.316 -21.132 -5.052 1.00 0.00 C ATOM 1092 CZ TYR A 73 -4.155 -21.733 -3.805 1.00 0.00 C ATOM 1093 OH TYR A 73 -5.184 -22.445 -3.247 1.00 0.00 O ATOM 0 H TYR A 73 1.276 -18.519 -5.992 1.00 0.00 H new ATOM 0 HA TYR A 73 0.572 -21.118 -5.525 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.469 -18.840 -4.793 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.315 -18.820 -6.328 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.967 -20.794 -3.155 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.386 -19.975 -6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.822 -22.088 -2.162 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.257 -21.219 -5.575 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.957 -22.429 -3.849 1.00 0.00 H new ATOM 1103 N VAL A 74 -0.448 -20.525 -8.569 1.00 0.00 N ATOM 1104 CA VAL A 74 -0.881 -21.203 -9.825 1.00 0.00 C ATOM 1105 C VAL A 74 0.256 -22.087 -10.455 1.00 0.00 C ATOM 1106 O VAL A 74 -0.028 -23.220 -10.853 1.00 0.00 O ATOM 1107 CB VAL A 74 -1.574 -20.182 -10.796 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -2.018 -20.813 -12.134 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -2.842 -19.523 -10.194 1.00 0.00 C ATOM 0 H VAL A 74 -0.291 -19.523 -8.677 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.653 -21.935 -9.586 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.795 -19.438 -10.961 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.489 -20.052 -12.757 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.148 -21.218 -12.652 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.730 -21.615 -11.940 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.270 -18.829 -10.918 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.574 -20.294 -9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.575 -18.981 -9.287 1.00 0.00 H new ATOM 1119 N MET A 75 1.521 -21.614 -10.510 1.00 0.00 N ATOM 1120 CA MET A 75 2.695 -22.422 -10.931 1.00 0.00 C ATOM 1121 C MET A 75 2.925 -23.754 -10.140 1.00 0.00 C ATOM 1122 O MET A 75 3.015 -24.803 -10.782 1.00 0.00 O ATOM 1123 CB MET A 75 3.941 -21.494 -10.884 1.00 0.00 C ATOM 1124 CG MET A 75 4.025 -20.422 -11.985 1.00 0.00 C ATOM 1125 SD MET A 75 5.462 -19.375 -11.683 1.00 0.00 S ATOM 1126 CE MET A 75 5.163 -18.068 -12.888 1.00 0.00 C ATOM 0 H MET A 75 1.761 -20.654 -10.262 1.00 0.00 H new ATOM 0 HA MET A 75 2.499 -22.780 -11.942 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.961 -20.994 -9.916 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.835 -22.115 -10.940 1.00 0.00 H new ATOM 0 HG2 MET A 75 4.103 -20.894 -12.964 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.116 -19.820 -11.993 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.965 -17.332 -12.833 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.132 -18.497 -13.890 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.211 -17.584 -12.671 1.00 0.00 H new ATOM 1136 N PHE A 76 2.996 -23.738 -8.789 1.00 0.00 N ATOM 1137 CA PHE A 76 3.148 -24.986 -7.978 1.00 0.00 C ATOM 1138 C PHE A 76 1.862 -25.861 -7.793 1.00 0.00 C ATOM 1139 O PHE A 76 1.992 -27.086 -7.705 1.00 0.00 O ATOM 1140 CB PHE A 76 3.878 -24.648 -6.645 1.00 0.00 C ATOM 1141 CG PHE A 76 4.355 -25.867 -5.825 1.00 0.00 C ATOM 1142 CD1 PHE A 76 5.383 -26.684 -6.315 1.00 0.00 C ATOM 1143 CD2 PHE A 76 3.729 -26.208 -4.621 1.00 0.00 C ATOM 1144 CE1 PHE A 76 5.765 -27.829 -5.620 1.00 0.00 C ATOM 1145 CE2 PHE A 76 4.111 -27.353 -3.931 1.00 0.00 C ATOM 1146 CZ PHE A 76 5.131 -28.161 -4.425 1.00 0.00 C ATOM 0 H PHE A 76 2.952 -22.884 -8.233 1.00 0.00 H new ATOM 0 HA PHE A 76 3.768 -25.660 -8.569 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.742 -24.023 -6.872 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.208 -24.053 -6.024 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.882 -26.424 -7.237 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.945 -25.579 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.552 -28.459 -6.007 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.615 -27.616 -3.009 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.431 -29.045 -3.882 1.00 0.00 H new