USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 414 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 1 MET CE :methyl 164:sc= -0.0574 (180deg=-0.387) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.25 (180deg=0.957) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -1.17 K(o=-1.2,f=-6.6!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 13 GLN : amide:sc= -0.73 K(o=-0.73,f=0) USER MOD Single : A 14 SER OG : rot -70:sc= -0.285 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -113:sc= -0.32 (180deg=-3.16!) USER MOD Single : A 22 THR OG1 : rot 72:sc= 0.597 USER MOD Single : A 26 CYS SG : rot 48:sc= -0.465 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.676 K(o=-0.68,f=-0.03) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= -0.085 (180deg=-0.396) USER MOD Single : A 48 THR OG1 : rot 79:sc= 1.08 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.853 10.832 -0.639 1.00 0.00 N ATOM 2 CA MET A 1 7.084 10.055 -1.874 1.00 0.00 C ATOM 3 C MET A 1 5.777 9.918 -2.682 1.00 0.00 C ATOM 4 O MET A 1 4.730 9.573 -2.130 1.00 0.00 O ATOM 5 CB MET A 1 7.666 8.661 -1.517 1.00 0.00 C ATOM 6 CG MET A 1 6.759 7.767 -0.658 1.00 0.00 C ATOM 7 SD MET A 1 7.501 6.172 -0.246 1.00 0.00 S ATOM 8 CE MET A 1 8.909 6.659 0.756 1.00 0.00 C ATOM 0 H1 MET A 1 7.624 10.650 0.035 1.00 0.00 H new ATOM 0 H2 MET A 1 6.825 11.846 -0.867 1.00 0.00 H new ATOM 0 H3 MET A 1 5.947 10.548 -0.214 1.00 0.00 H new ATOM 0 HA MET A 1 7.806 10.584 -2.496 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.895 8.134 -2.443 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.610 8.804 -0.991 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.512 8.293 0.264 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.822 7.597 -1.189 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.282 5.794 1.304 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.697 7.048 0.111 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.603 7.431 1.462 1.00 0.00 H new ATOM 20 N LEU A 2 5.849 10.217 -3.986 1.00 0.00 N ATOM 21 CA LEU A 2 4.749 9.982 -4.933 1.00 0.00 C ATOM 22 C LEU A 2 4.799 8.500 -5.348 1.00 0.00 C ATOM 23 O LEU A 2 5.755 8.079 -5.988 1.00 0.00 O ATOM 24 CB LEU A 2 4.908 10.903 -6.180 1.00 0.00 C ATOM 25 CG LEU A 2 3.823 10.752 -7.301 1.00 0.00 C ATOM 26 CD1 LEU A 2 2.462 11.317 -6.861 1.00 0.00 C ATOM 27 CD2 LEU A 2 4.293 11.386 -8.627 1.00 0.00 C ATOM 0 H LEU A 2 6.676 10.631 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 2 3.789 10.212 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.908 11.939 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.886 10.713 -6.623 1.00 0.00 H new ATOM 0 HG LEU A 2 3.686 9.685 -7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.739 11.192 -7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.115 10.783 -5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.566 12.377 -6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.518 11.264 -9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.487 12.448 -8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.207 10.895 -8.961 1.00 0.00 H new ATOM 39 N VAL A 3 3.788 7.720 -4.938 1.00 0.00 N ATOM 40 CA VAL A 3 3.704 6.263 -5.206 1.00 0.00 C ATOM 41 C VAL A 3 2.590 5.977 -6.229 1.00 0.00 C ATOM 42 O VAL A 3 1.768 6.847 -6.494 1.00 0.00 O ATOM 43 CB VAL A 3 3.445 5.462 -3.875 1.00 0.00 C ATOM 44 CG1 VAL A 3 4.624 5.649 -2.896 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.103 5.862 -3.211 1.00 0.00 C ATOM 0 H VAL A 3 2.995 8.079 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 3 4.657 5.934 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 3 3.371 4.406 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.430 5.089 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.541 5.283 -3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.735 6.707 -2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.964 5.286 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.118 6.925 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.282 5.657 -3.898 1.00 0.00 H new ATOM 55 N THR A 4 2.574 4.760 -6.804 1.00 0.00 N ATOM 56 CA THR A 4 1.576 4.363 -7.817 1.00 0.00 C ATOM 57 C THR A 4 0.638 3.290 -7.235 1.00 0.00 C ATOM 58 O THR A 4 0.999 2.122 -7.152 1.00 0.00 O ATOM 59 CB THR A 4 2.290 3.835 -9.105 1.00 0.00 C ATOM 60 OG1 THR A 4 3.260 4.798 -9.531 1.00 0.00 O ATOM 61 CG2 THR A 4 1.306 3.566 -10.260 1.00 0.00 C ATOM 0 H THR A 4 3.248 4.027 -6.582 1.00 0.00 H new ATOM 0 HA THR A 4 0.981 5.234 -8.091 1.00 0.00 H new ATOM 0 HB THR A 4 2.764 2.887 -8.851 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.712 4.472 -10.337 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.855 3.202 -11.128 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.578 2.816 -9.950 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.788 4.489 -10.519 1.00 0.00 H new ATOM 69 N ILE A 5 -0.561 3.717 -6.820 1.00 0.00 N ATOM 70 CA ILE A 5 -1.584 2.847 -6.219 1.00 0.00 C ATOM 71 C ILE A 5 -2.742 2.656 -7.223 1.00 0.00 C ATOM 72 O ILE A 5 -3.380 3.637 -7.621 1.00 0.00 O ATOM 73 CB ILE A 5 -2.124 3.471 -4.877 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.942 3.717 -3.883 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.220 2.579 -4.240 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.325 4.442 -2.604 1.00 0.00 C ATOM 0 H ILE A 5 -0.854 4.691 -6.893 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.139 1.879 -5.987 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.586 4.431 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.500 2.756 -3.621 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.171 4.293 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.571 3.038 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.054 2.476 -4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.806 1.594 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.441 4.567 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.737 5.421 -2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.072 3.859 -2.065 1.00 0.00 H new ATOM 88 N ASN A 6 -2.968 1.388 -7.648 1.00 0.00 N ATOM 89 CA ASN A 6 -4.081 0.987 -8.550 1.00 0.00 C ATOM 90 C ASN A 6 -3.952 1.601 -9.965 1.00 0.00 C ATOM 91 O ASN A 6 -4.945 1.725 -10.688 1.00 0.00 O ATOM 92 CB ASN A 6 -5.466 1.331 -7.906 1.00 0.00 C ATOM 93 CG ASN A 6 -5.781 0.495 -6.663 1.00 0.00 C ATOM 94 OD1 ASN A 6 -5.446 -0.682 -6.594 1.00 0.00 O ATOM 95 ND2 ASN A 6 -6.418 1.091 -5.666 1.00 0.00 N ATOM 0 H ASN A 6 -2.376 0.604 -7.372 1.00 0.00 H new ATOM 0 HA ASN A 6 -4.016 -0.094 -8.676 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.482 2.387 -7.638 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.251 1.178 -8.647 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.640 0.569 -4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.687 2.072 -5.746 1.00 0.00 H new ATOM 102 N GLY A 7 -2.715 1.942 -10.358 1.00 0.00 N ATOM 103 CA GLY A 7 -2.444 2.559 -11.664 1.00 0.00 C ATOM 104 C GLY A 7 -2.524 4.084 -11.636 1.00 0.00 C ATOM 105 O GLY A 7 -2.252 4.746 -12.646 1.00 0.00 O ATOM 0 H GLY A 7 -1.883 1.799 -9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.452 2.260 -12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.158 2.177 -12.394 1.00 0.00 H new ATOM 109 N GLU A 8 -2.887 4.633 -10.464 1.00 0.00 N ATOM 110 CA GLU A 8 -2.972 6.082 -10.209 1.00 0.00 C ATOM 111 C GLU A 8 -1.771 6.494 -9.338 1.00 0.00 C ATOM 112 O GLU A 8 -1.228 5.664 -8.620 1.00 0.00 O ATOM 113 CB GLU A 8 -4.307 6.409 -9.478 1.00 0.00 C ATOM 114 CG GLU A 8 -5.572 6.035 -10.272 1.00 0.00 C ATOM 115 CD GLU A 8 -6.875 6.327 -9.506 1.00 0.00 C ATOM 116 OE1 GLU A 8 -7.306 7.500 -9.467 1.00 0.00 O ATOM 117 OE2 GLU A 8 -7.466 5.392 -8.926 1.00 0.00 O ATOM 0 H GLU A 8 -3.135 4.070 -9.650 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.950 6.633 -11.149 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.323 5.884 -8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.334 7.476 -9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.579 6.586 -11.212 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.535 4.975 -10.524 1.00 0.00 H new ATOM 124 N GLN A 9 -1.355 7.762 -9.400 1.00 0.00 N ATOM 125 CA GLN A 9 -0.245 8.273 -8.572 1.00 0.00 C ATOM 126 C GLN A 9 -0.795 9.145 -7.433 1.00 0.00 C ATOM 127 O GLN A 9 -1.682 9.970 -7.658 1.00 0.00 O ATOM 128 CB GLN A 9 0.758 9.066 -9.442 1.00 0.00 C ATOM 129 CG GLN A 9 1.459 8.225 -10.514 1.00 0.00 C ATOM 130 CD GLN A 9 2.447 9.040 -11.345 1.00 0.00 C ATOM 131 OE1 GLN A 9 3.629 9.135 -11.014 1.00 0.00 O ATOM 132 NE2 GLN A 9 1.965 9.661 -12.412 1.00 0.00 N ATOM 0 H GLN A 9 -1.769 8.461 -10.017 1.00 0.00 H new ATOM 0 HA GLN A 9 0.286 7.429 -8.132 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.231 9.888 -9.927 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.513 9.510 -8.793 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.986 7.399 -10.036 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.710 7.786 -11.173 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.980 9.561 -12.659 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.579 10.239 -12.987 1.00 0.00 H new ATOM 141 N ARG A 10 -0.252 8.946 -6.220 1.00 0.00 N ATOM 142 CA ARG A 10 -0.663 9.660 -5.000 1.00 0.00 C ATOM 143 C ARG A 10 0.578 9.976 -4.147 1.00 0.00 C ATOM 144 O ARG A 10 1.399 9.092 -3.897 1.00 0.00 O ATOM 145 CB ARG A 10 -1.668 8.814 -4.175 1.00 0.00 C ATOM 146 CG ARG A 10 -2.018 9.426 -2.794 1.00 0.00 C ATOM 147 CD ARG A 10 -3.018 8.590 -2.004 1.00 0.00 C ATOM 148 NE ARG A 10 -4.361 8.617 -2.593 1.00 0.00 N ATOM 149 CZ ARG A 10 -5.519 8.622 -1.902 1.00 0.00 C ATOM 150 NH1 ARG A 10 -5.531 8.561 -0.562 1.00 0.00 N ATOM 151 NH2 ARG A 10 -6.665 8.680 -2.556 1.00 0.00 N ATOM 0 H ARG A 10 0.497 8.273 -6.057 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.156 10.588 -5.290 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.585 8.693 -4.751 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.252 7.818 -4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.104 9.536 -2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.425 10.427 -2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.667 7.559 -1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.066 8.959 -0.980 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.424 8.633 -3.611 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.653 8.510 -0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.418 8.566 -0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.669 8.721 -3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.546 8.684 -2.042 1.00 0.00 H new ATOM 165 N GLU A 11 0.699 11.242 -3.707 1.00 0.00 N ATOM 166 CA GLU A 11 1.788 11.690 -2.825 1.00 0.00 C ATOM 167 C GLU A 11 1.443 11.310 -1.366 1.00 0.00 C ATOM 168 O GLU A 11 0.351 11.616 -0.869 1.00 0.00 O ATOM 169 CB GLU A 11 2.038 13.227 -2.995 1.00 0.00 C ATOM 170 CG GLU A 11 0.842 14.129 -2.652 1.00 0.00 C ATOM 171 CD GLU A 11 1.129 15.630 -2.844 1.00 0.00 C ATOM 172 OE1 GLU A 11 1.634 16.287 -1.910 1.00 0.00 O ATOM 173 OE2 GLU A 11 0.849 16.170 -3.932 1.00 0.00 O ATOM 0 H GLU A 11 0.043 11.983 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 11 2.718 11.191 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.880 13.513 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.332 13.419 -4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.006 13.847 -3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.549 13.953 -1.617 1.00 0.00 H new ATOM 180 N VAL A 12 2.361 10.576 -0.716 1.00 0.00 N ATOM 181 CA VAL A 12 2.198 10.074 0.665 1.00 0.00 C ATOM 182 C VAL A 12 3.492 10.281 1.477 1.00 0.00 C ATOM 183 O VAL A 12 4.567 10.482 0.905 1.00 0.00 O ATOM 184 CB VAL A 12 1.778 8.546 0.713 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.398 8.306 0.054 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.866 7.632 0.096 1.00 0.00 C ATOM 0 H VAL A 12 3.251 10.309 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 12 1.389 10.653 1.111 1.00 0.00 H new ATOM 0 HB VAL A 12 1.685 8.277 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.148 7.246 0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.362 8.885 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.434 8.617 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.541 6.593 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.027 7.910 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.797 7.749 0.651 1.00 0.00 H new ATOM 196 N GLN A 13 3.356 10.221 2.810 1.00 0.00 N ATOM 197 CA GLN A 13 4.472 10.294 3.775 1.00 0.00 C ATOM 198 C GLN A 13 4.336 9.134 4.785 1.00 0.00 C ATOM 199 O GLN A 13 4.882 9.175 5.895 1.00 0.00 O ATOM 200 CB GLN A 13 4.470 11.670 4.500 1.00 0.00 C ATOM 201 CG GLN A 13 3.191 11.980 5.317 1.00 0.00 C ATOM 202 CD GLN A 13 3.279 13.247 6.180 1.00 0.00 C ATOM 203 OE1 GLN A 13 2.277 13.936 6.395 1.00 0.00 O ATOM 204 NE2 GLN A 13 4.456 13.547 6.724 1.00 0.00 N ATOM 0 H GLN A 13 2.447 10.118 3.261 1.00 0.00 H new ATOM 0 HA GLN A 13 5.422 10.199 3.250 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.329 11.712 5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.607 12.455 3.756 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.351 12.082 4.629 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.973 11.130 5.963 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.270 12.963 6.532 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.544 14.361 7.333 1.00 0.00 H new ATOM 213 N SER A 14 3.640 8.080 4.336 1.00 0.00 N ATOM 214 CA SER A 14 3.214 6.938 5.161 1.00 0.00 C ATOM 215 C SER A 14 4.378 6.231 5.892 1.00 0.00 C ATOM 216 O SER A 14 4.280 5.954 7.096 1.00 0.00 O ATOM 217 CB SER A 14 2.471 5.945 4.253 1.00 0.00 C ATOM 218 OG SER A 14 1.408 6.583 3.563 1.00 0.00 O ATOM 0 H SER A 14 3.349 7.995 3.362 1.00 0.00 H new ATOM 0 HA SER A 14 2.564 7.319 5.949 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.168 5.512 3.535 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.079 5.123 4.852 1.00 0.00 H new ATOM 0 HG SER A 14 0.696 6.809 4.197 1.00 0.00 H new ATOM 224 N ALA A 15 5.447 5.940 5.125 1.00 0.00 N ATOM 225 CA ALA A 15 6.661 5.208 5.564 1.00 0.00 C ATOM 226 C ALA A 15 6.408 3.686 5.658 1.00 0.00 C ATOM 227 O ALA A 15 7.163 2.889 5.098 1.00 0.00 O ATOM 228 CB ALA A 15 7.273 5.773 6.866 1.00 0.00 C ATOM 0 H ALA A 15 5.495 6.217 4.145 1.00 0.00 H new ATOM 0 HA ALA A 15 7.409 5.369 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.157 5.194 7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.554 6.815 6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.540 5.708 7.670 1.00 0.00 H new ATOM 234 N SER A 16 5.326 3.302 6.350 1.00 0.00 N ATOM 235 CA SER A 16 4.880 1.901 6.475 1.00 0.00 C ATOM 236 C SER A 16 3.614 1.700 5.651 1.00 0.00 C ATOM 237 O SER A 16 2.835 2.643 5.456 1.00 0.00 O ATOM 238 CB SER A 16 4.607 1.550 7.954 1.00 0.00 C ATOM 239 OG SER A 16 5.760 1.751 8.741 1.00 0.00 O ATOM 0 H SER A 16 4.726 3.961 6.846 1.00 0.00 H new ATOM 0 HA SER A 16 5.666 1.243 6.105 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.791 2.166 8.333 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.285 0.511 8.032 1.00 0.00 H new ATOM 0 HG SER A 16 5.563 1.524 9.674 1.00 0.00 H new ATOM 245 N VAL A 17 3.425 0.463 5.180 1.00 0.00 N ATOM 246 CA VAL A 17 2.249 0.063 4.391 1.00 0.00 C ATOM 247 C VAL A 17 0.955 0.125 5.258 1.00 0.00 C ATOM 248 O VAL A 17 -0.137 0.320 4.734 1.00 0.00 O ATOM 249 CB VAL A 17 2.473 -1.368 3.760 1.00 0.00 C ATOM 250 CG1 VAL A 17 1.239 -1.853 2.982 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.728 -1.382 2.848 1.00 0.00 C ATOM 0 H VAL A 17 4.088 -0.297 5.335 1.00 0.00 H new ATOM 0 HA VAL A 17 2.118 0.767 3.570 1.00 0.00 H new ATOM 0 HB VAL A 17 2.634 -2.060 4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.437 -2.841 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.383 -1.908 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.021 -1.155 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.860 -2.378 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.600 -0.660 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.607 -1.117 3.435 1.00 0.00 H new ATOM 261 N ALA A 18 1.110 -0.001 6.598 1.00 0.00 N ATOM 262 CA ALA A 18 0.012 0.186 7.574 1.00 0.00 C ATOM 263 C ALA A 18 -0.518 1.622 7.517 1.00 0.00 C ATOM 264 O ALA A 18 -1.708 1.857 7.268 1.00 0.00 O ATOM 265 CB ALA A 18 0.502 -0.148 8.997 1.00 0.00 C ATOM 0 H ALA A 18 2.003 -0.236 7.032 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.801 -0.492 7.315 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.314 -0.007 9.705 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.838 -1.184 9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.329 0.511 9.261 1.00 0.00 H new ATOM 271 N ALA A 19 0.412 2.574 7.726 1.00 0.00 N ATOM 272 CA ALA A 19 0.135 4.016 7.683 1.00 0.00 C ATOM 273 C ALA A 19 -0.420 4.442 6.313 1.00 0.00 C ATOM 274 O ALA A 19 -1.207 5.388 6.221 1.00 0.00 O ATOM 275 CB ALA A 19 1.414 4.790 8.019 1.00 0.00 C ATOM 0 H ALA A 19 1.387 2.357 7.932 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.630 4.246 8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.210 5.860 7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.754 4.515 9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.188 4.546 7.292 1.00 0.00 H new ATOM 281 N LEU A 20 0.008 3.710 5.259 1.00 0.00 N ATOM 282 CA LEU A 20 -0.481 3.892 3.888 1.00 0.00 C ATOM 283 C LEU A 20 -1.975 3.547 3.794 1.00 0.00 C ATOM 284 O LEU A 20 -2.767 4.386 3.395 1.00 0.00 O ATOM 285 CB LEU A 20 0.355 3.026 2.905 1.00 0.00 C ATOM 286 CG LEU A 20 0.023 3.175 1.389 1.00 0.00 C ATOM 287 CD1 LEU A 20 0.223 4.628 0.902 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.829 2.168 0.542 1.00 0.00 C ATOM 0 H LEU A 20 0.708 2.973 5.345 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.364 4.939 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.408 3.268 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.228 1.979 3.180 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.033 2.940 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.018 4.693 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.432 5.294 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.260 4.924 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.577 2.295 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.895 2.344 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.585 1.153 0.854 1.00 0.00 H new ATOM 300 N MET A 21 -2.350 2.323 4.230 1.00 0.00 N ATOM 301 CA MET A 21 -3.747 1.830 4.151 1.00 0.00 C ATOM 302 C MET A 21 -4.695 2.665 5.044 1.00 0.00 C ATOM 303 O MET A 21 -5.889 2.763 4.767 1.00 0.00 O ATOM 304 CB MET A 21 -3.813 0.324 4.521 1.00 0.00 C ATOM 305 CG MET A 21 -2.960 -0.575 3.611 1.00 0.00 C ATOM 306 SD MET A 21 -3.442 -0.479 1.870 1.00 0.00 S ATOM 307 CE MET A 21 -4.973 -1.414 1.854 1.00 0.00 C ATOM 0 H MET A 21 -1.701 1.653 4.643 1.00 0.00 H new ATOM 0 HA MET A 21 -4.086 1.946 3.122 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.484 0.198 5.553 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.850 -0.007 4.474 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.912 -0.291 3.708 1.00 0.00 H new ATOM 0 HG3 MET A 21 -3.043 -1.608 3.949 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.834 -2.329 1.278 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.255 -1.667 2.876 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.761 -0.814 1.398 1.00 0.00 H new ATOM 317 N THR A 22 -4.136 3.272 6.109 1.00 0.00 N ATOM 318 CA THR A 22 -4.872 4.174 7.016 1.00 0.00 C ATOM 319 C THR A 22 -5.112 5.550 6.352 1.00 0.00 C ATOM 320 O THR A 22 -6.191 6.137 6.498 1.00 0.00 O ATOM 321 CB THR A 22 -4.111 4.333 8.371 1.00 0.00 C ATOM 322 OG1 THR A 22 -3.859 3.031 8.913 1.00 0.00 O ATOM 323 CG2 THR A 22 -4.901 5.155 9.409 1.00 0.00 C ATOM 0 H THR A 22 -3.156 3.150 6.365 1.00 0.00 H new ATOM 0 HA THR A 22 -5.845 3.729 7.223 1.00 0.00 H new ATOM 0 HB THR A 22 -3.185 4.870 8.164 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.160 2.588 8.388 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.322 5.231 10.329 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.090 6.154 9.015 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.850 4.662 9.617 1.00 0.00 H new ATOM 331 N GLU A 23 -4.100 6.026 5.601 1.00 0.00 N ATOM 332 CA GLU A 23 -4.185 7.269 4.803 1.00 0.00 C ATOM 333 C GLU A 23 -5.275 7.088 3.725 1.00 0.00 C ATOM 334 O GLU A 23 -6.148 7.937 3.551 1.00 0.00 O ATOM 335 CB GLU A 23 -2.781 7.578 4.181 1.00 0.00 C ATOM 336 CG GLU A 23 -2.585 8.985 3.553 1.00 0.00 C ATOM 337 CD GLU A 23 -3.379 9.234 2.255 1.00 0.00 C ATOM 338 OE1 GLU A 23 -3.073 8.593 1.237 1.00 0.00 O ATOM 339 OE2 GLU A 23 -4.321 10.059 2.257 1.00 0.00 O ATOM 0 H GLU A 23 -3.196 5.559 5.529 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.462 8.120 5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.029 7.446 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.579 6.832 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.872 9.738 4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.525 9.130 3.346 1.00 0.00 H new ATOM 346 N LEU A 24 -5.231 5.918 3.075 1.00 0.00 N ATOM 347 CA LEU A 24 -6.160 5.522 2.005 1.00 0.00 C ATOM 348 C LEU A 24 -7.568 5.192 2.558 1.00 0.00 C ATOM 349 O LEU A 24 -8.512 5.030 1.779 1.00 0.00 O ATOM 350 CB LEU A 24 -5.566 4.272 1.288 1.00 0.00 C ATOM 351 CG LEU A 24 -4.176 4.486 0.603 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.496 3.149 0.244 1.00 0.00 C ATOM 353 CD2 LEU A 24 -4.302 5.402 -0.625 1.00 0.00 C ATOM 0 H LEU A 24 -4.533 5.203 3.282 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.275 6.353 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.472 3.467 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.276 3.937 0.532 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.530 4.983 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.534 3.346 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.341 2.564 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.131 2.591 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.321 5.534 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.982 4.950 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.692 6.372 -0.317 1.00 0.00 H new ATOM 365 N ASP A 25 -7.669 5.060 3.906 1.00 0.00 N ATOM 366 CA ASP A 25 -8.907 4.665 4.634 1.00 0.00 C ATOM 367 C ASP A 25 -9.354 3.235 4.262 1.00 0.00 C ATOM 368 O ASP A 25 -10.450 2.798 4.620 1.00 0.00 O ATOM 369 CB ASP A 25 -10.058 5.689 4.436 1.00 0.00 C ATOM 370 CG ASP A 25 -9.698 7.103 4.929 1.00 0.00 C ATOM 371 OD1 ASP A 25 -9.802 7.361 6.151 1.00 0.00 O ATOM 372 OD2 ASP A 25 -9.310 7.968 4.103 1.00 0.00 O ATOM 0 H ASP A 25 -6.880 5.228 4.530 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.660 4.667 5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.318 5.734 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.943 5.339 4.967 1.00 0.00 H new ATOM 377 N CYS A 26 -8.440 2.494 3.618 1.00 0.00 N ATOM 378 CA CYS A 26 -8.639 1.109 3.184 1.00 0.00 C ATOM 379 C CYS A 26 -8.033 0.158 4.237 1.00 0.00 C ATOM 380 O CYS A 26 -7.457 -0.879 3.909 1.00 0.00 O ATOM 381 CB CYS A 26 -7.982 0.921 1.798 1.00 0.00 C ATOM 382 SG CYS A 26 -8.552 2.098 0.556 1.00 0.00 S ATOM 0 H CYS A 26 -7.516 2.855 3.379 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.700 0.878 3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.901 1.013 1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -8.183 -0.091 1.445 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.518 3.300 1.050 1.00 0.00 H new ATOM 439 N TYR A 31 -9.665 -5.656 3.922 1.00 0.00 N ATOM 440 CA TYR A 31 -8.867 -5.158 2.787 1.00 0.00 C ATOM 441 C TYR A 31 -7.501 -5.842 2.737 1.00 0.00 C ATOM 442 O TYR A 31 -7.004 -6.361 3.737 1.00 0.00 O ATOM 443 CB TYR A 31 -8.689 -3.623 2.863 1.00 0.00 C ATOM 444 CG TYR A 31 -10.006 -2.834 2.821 1.00 0.00 C ATOM 445 CD1 TYR A 31 -10.724 -2.695 1.630 1.00 0.00 C ATOM 446 CD2 TYR A 31 -10.524 -2.223 3.961 1.00 0.00 C ATOM 447 CE1 TYR A 31 -11.908 -1.980 1.589 1.00 0.00 C ATOM 448 CE2 TYR A 31 -11.701 -1.508 3.920 1.00 0.00 C ATOM 449 CZ TYR A 31 -12.389 -1.388 2.738 1.00 0.00 C ATOM 450 OH TYR A 31 -13.573 -0.680 2.703 1.00 0.00 O ATOM 0 HA TYR A 31 -9.410 -5.398 1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.159 -3.375 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.058 -3.300 2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.349 -3.153 0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.992 -2.312 4.897 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.453 -1.886 0.661 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.082 -1.042 4.817 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.770 -0.328 3.596 1.00 0.00 H new ATOM 460 N ALA A 32 -6.916 -5.826 1.553 1.00 0.00 N ATOM 461 CA ALA A 32 -5.568 -6.316 1.298 1.00 0.00 C ATOM 462 C ALA A 32 -4.835 -5.259 0.475 1.00 0.00 C ATOM 463 O ALA A 32 -5.451 -4.445 -0.227 1.00 0.00 O ATOM 464 CB ALA A 32 -5.605 -7.677 0.570 1.00 0.00 C ATOM 0 H ALA A 32 -7.375 -5.463 0.718 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.040 -6.481 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.587 -8.022 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.131 -8.405 1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.123 -7.566 -0.383 1.00 0.00 H new ATOM 470 N VAL A 33 -3.528 -5.260 0.593 1.00 0.00 N ATOM 471 CA VAL A 33 -2.649 -4.395 -0.185 1.00 0.00 C ATOM 472 C VAL A 33 -1.660 -5.280 -0.931 1.00 0.00 C ATOM 473 O VAL A 33 -1.330 -6.386 -0.480 1.00 0.00 O ATOM 474 CB VAL A 33 -1.907 -3.378 0.743 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.054 -4.120 1.779 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.081 -2.339 -0.068 1.00 0.00 C ATOM 0 H VAL A 33 -3.029 -5.870 1.241 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.231 -3.809 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.661 -2.805 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.545 -3.397 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.695 -4.755 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.315 -4.737 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.584 -1.654 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.333 -2.857 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.746 -1.777 -0.723 1.00 0.00 H new ATOM 486 N ALA A 34 -1.222 -4.810 -2.079 1.00 0.00 N ATOM 487 CA ALA A 34 -0.255 -5.508 -2.904 1.00 0.00 C ATOM 488 C ALA A 34 0.906 -4.561 -3.218 1.00 0.00 C ATOM 489 O ALA A 34 0.812 -3.729 -4.119 1.00 0.00 O ATOM 490 CB ALA A 34 -0.959 -6.023 -4.164 1.00 0.00 C ATOM 0 H ALA A 34 -1.530 -3.921 -2.472 1.00 0.00 H new ATOM 0 HA ALA A 34 0.161 -6.372 -2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.241 -6.550 -4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.761 -6.704 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.376 -5.182 -4.717 1.00 0.00 H new ATOM 496 N LEU A 35 2.002 -4.708 -2.467 1.00 0.00 N ATOM 497 CA LEU A 35 3.219 -3.898 -2.633 1.00 0.00 C ATOM 498 C LEU A 35 4.107 -4.642 -3.639 1.00 0.00 C ATOM 499 O LEU A 35 4.425 -5.817 -3.422 1.00 0.00 O ATOM 500 CB LEU A 35 3.949 -3.721 -1.277 1.00 0.00 C ATOM 501 CG LEU A 35 5.221 -2.798 -1.281 1.00 0.00 C ATOM 502 CD1 LEU A 35 4.844 -1.302 -1.317 1.00 0.00 C ATOM 503 CD2 LEU A 35 6.150 -3.113 -0.100 1.00 0.00 C ATOM 0 H LEU A 35 2.073 -5.398 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 35 2.977 -2.898 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.237 -3.318 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.244 -4.707 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 35 5.770 -3.015 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.751 -0.698 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.268 -1.094 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.246 -1.056 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.019 -2.456 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.614 -2.957 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.478 -4.151 -0.162 1.00 0.00 H new ATOM 515 N ASN A 36 4.440 -3.971 -4.765 1.00 0.00 N ATOM 516 CA ASN A 36 5.112 -4.582 -5.949 1.00 0.00 C ATOM 517 C ASN A 36 4.129 -5.576 -6.622 1.00 0.00 C ATOM 518 O ASN A 36 4.548 -6.482 -7.345 1.00 0.00 O ATOM 519 CB ASN A 36 6.477 -5.313 -5.600 1.00 0.00 C ATOM 520 CG ASN A 36 7.372 -4.631 -4.551 1.00 0.00 C ATOM 521 OD1 ASN A 36 8.170 -5.296 -3.883 1.00 0.00 O ATOM 522 ND2 ASN A 36 7.257 -3.334 -4.373 1.00 0.00 N ATOM 0 H ASN A 36 4.250 -2.976 -4.885 1.00 0.00 H new ATOM 0 HA ASN A 36 5.375 -3.771 -6.628 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.245 -6.319 -5.249 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.051 -5.421 -6.520 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.832 -2.862 -3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.593 -2.799 -4.933 1.00 0.00 H new ATOM 529 N TYR A 37 2.811 -5.349 -6.370 1.00 0.00 N ATOM 530 CA TYR A 37 1.686 -6.246 -6.744 1.00 0.00 C ATOM 531 C TYR A 37 1.673 -7.566 -5.943 1.00 0.00 C ATOM 532 O TYR A 37 0.800 -8.405 -6.161 1.00 0.00 O ATOM 533 CB TYR A 37 1.595 -6.515 -8.265 1.00 0.00 C ATOM 534 CG TYR A 37 1.459 -5.237 -9.091 1.00 0.00 C ATOM 535 CD1 TYR A 37 0.329 -4.424 -8.981 1.00 0.00 C ATOM 536 CD2 TYR A 37 2.466 -4.835 -9.959 1.00 0.00 C ATOM 537 CE1 TYR A 37 0.221 -3.255 -9.706 1.00 0.00 C ATOM 538 CE2 TYR A 37 2.359 -3.677 -10.686 1.00 0.00 C ATOM 539 CZ TYR A 37 1.241 -2.887 -10.556 1.00 0.00 C ATOM 540 OH TYR A 37 1.147 -1.711 -11.275 1.00 0.00 O ATOM 0 H TYR A 37 2.494 -4.509 -5.885 1.00 0.00 H new ATOM 0 HA TYR A 37 0.789 -5.692 -6.467 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.485 -7.056 -8.586 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.740 -7.162 -8.463 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.473 -4.715 -8.318 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.350 -5.446 -10.063 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.657 -2.633 -9.608 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.152 -3.386 -11.360 1.00 0.00 H new ATOM 0 HH TYR A 37 1.950 -1.599 -11.825 1.00 0.00 H new ATOM 550 N ASP A 38 2.595 -7.716 -4.974 1.00 0.00 N ATOM 551 CA ASP A 38 2.656 -8.897 -4.089 1.00 0.00 C ATOM 552 C ASP A 38 1.850 -8.620 -2.814 1.00 0.00 C ATOM 553 O ASP A 38 2.088 -7.610 -2.139 1.00 0.00 O ATOM 554 CB ASP A 38 4.126 -9.236 -3.729 1.00 0.00 C ATOM 555 CG ASP A 38 4.246 -10.453 -2.798 1.00 0.00 C ATOM 556 OD1 ASP A 38 4.002 -11.589 -3.257 1.00 0.00 O ATOM 557 OD2 ASP A 38 4.578 -10.291 -1.611 1.00 0.00 O ATOM 0 H ASP A 38 3.319 -7.023 -4.782 1.00 0.00 H new ATOM 0 HA ASP A 38 2.228 -9.753 -4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.684 -9.429 -4.645 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.587 -8.372 -3.251 1.00 0.00 H new ATOM 562 N VAL A 39 0.915 -9.531 -2.487 1.00 0.00 N ATOM 563 CA VAL A 39 -0.029 -9.369 -1.369 1.00 0.00 C ATOM 564 C VAL A 39 0.706 -9.383 -0.021 1.00 0.00 C ATOM 565 O VAL A 39 1.281 -10.407 0.377 1.00 0.00 O ATOM 566 CB VAL A 39 -1.129 -10.493 -1.367 1.00 0.00 C ATOM 567 CG1 VAL A 39 -2.200 -10.250 -0.270 1.00 0.00 C ATOM 568 CG2 VAL A 39 -1.768 -10.631 -2.760 1.00 0.00 C ATOM 0 H VAL A 39 0.794 -10.407 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.516 -8.404 -1.508 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.639 -11.436 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.941 -11.048 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.722 -10.238 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.690 -9.292 -0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.526 -11.414 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.231 -9.686 -3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.000 -10.891 -3.488 1.00 0.00 H new ATOM 578 N VAL A 40 0.668 -8.234 0.660 1.00 0.00 N ATOM 579 CA VAL A 40 1.253 -8.064 1.991 1.00 0.00 C ATOM 580 C VAL A 40 0.194 -8.470 3.046 1.00 0.00 C ATOM 581 O VAL A 40 -0.898 -7.884 3.061 1.00 0.00 O ATOM 582 CB VAL A 40 1.728 -6.581 2.239 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.330 -6.390 3.659 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.722 -6.137 1.142 1.00 0.00 C ATOM 0 H VAL A 40 0.226 -7.389 0.299 1.00 0.00 H new ATOM 0 HA VAL A 40 2.136 -8.699 2.071 1.00 0.00 H new ATOM 0 HB VAL A 40 0.848 -5.941 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.643 -5.354 3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.578 -6.635 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.191 -7.047 3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.038 -5.111 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.593 -6.793 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.237 -6.194 0.167 1.00 0.00 H new ATOM 594 N PRO A 41 0.486 -9.495 3.915 1.00 0.00 N ATOM 595 CA PRO A 41 -0.413 -9.896 5.028 1.00 0.00 C ATOM 596 C PRO A 41 -0.631 -8.719 6.007 1.00 0.00 C ATOM 597 O PRO A 41 0.299 -7.933 6.240 1.00 0.00 O ATOM 598 CB PRO A 41 0.342 -11.081 5.701 1.00 0.00 C ATOM 599 CG PRO A 41 1.771 -10.913 5.279 1.00 0.00 C ATOM 600 CD PRO A 41 1.709 -10.350 3.879 1.00 0.00 C ATOM 0 HA PRO A 41 -1.411 -10.181 4.695 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.243 -11.048 6.786 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.057 -12.041 5.374 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.303 -10.239 5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.301 -11.865 5.297 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.600 -9.770 3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.629 -11.138 3.130 1.00 0.00 H new ATOM 608 N ARG A 42 -1.864 -8.600 6.553 1.00 0.00 N ATOM 609 CA ARG A 42 -2.278 -7.432 7.357 1.00 0.00 C ATOM 610 C ARG A 42 -1.366 -7.208 8.580 1.00 0.00 C ATOM 611 O ARG A 42 -1.016 -6.065 8.901 1.00 0.00 O ATOM 612 CB ARG A 42 -3.767 -7.532 7.789 1.00 0.00 C ATOM 613 CG ARG A 42 -4.258 -6.280 8.553 1.00 0.00 C ATOM 614 CD ARG A 42 -5.736 -6.319 8.953 1.00 0.00 C ATOM 615 NE ARG A 42 -6.100 -5.089 9.684 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.087 -4.236 9.351 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.844 -4.449 8.285 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.289 -3.155 10.076 1.00 0.00 N ATOM 0 H ARG A 42 -2.593 -9.306 6.448 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.172 -6.561 6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.387 -7.678 6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.899 -8.411 8.420 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.654 -6.159 9.452 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.086 -5.401 7.933 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.358 -6.420 8.064 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.928 -7.192 9.577 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.555 -4.865 10.516 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.684 -5.270 7.701 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.587 -3.792 8.048 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.699 -2.967 10.886 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.036 -2.506 9.827 1.00 0.00 H new ATOM 632 N GLY A 43 -0.978 -8.315 9.226 1.00 0.00 N ATOM 633 CA GLY A 43 -0.082 -8.284 10.381 1.00 0.00 C ATOM 634 C GLY A 43 1.301 -7.691 10.087 1.00 0.00 C ATOM 635 O GLY A 43 1.976 -7.197 10.997 1.00 0.00 O ATOM 0 H GLY A 43 -1.277 -9.253 8.961 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.552 -7.705 11.176 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.043 -9.299 10.757 1.00 0.00 H new ATOM 639 N LYS A 44 1.729 -7.737 8.808 1.00 0.00 N ATOM 640 CA LYS A 44 3.048 -7.217 8.377 1.00 0.00 C ATOM 641 C LYS A 44 2.954 -5.854 7.665 1.00 0.00 C ATOM 642 O LYS A 44 3.985 -5.344 7.227 1.00 0.00 O ATOM 643 CB LYS A 44 3.785 -8.245 7.468 1.00 0.00 C ATOM 644 CG LYS A 44 4.333 -9.466 8.227 1.00 0.00 C ATOM 645 CD LYS A 44 5.322 -10.316 7.401 1.00 0.00 C ATOM 646 CE LYS A 44 6.080 -11.338 8.271 1.00 0.00 C ATOM 647 NZ LYS A 44 6.870 -10.677 9.358 1.00 0.00 N ATOM 0 H LYS A 44 1.176 -8.133 8.048 1.00 0.00 H new ATOM 0 HA LYS A 44 3.625 -7.065 9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.099 -8.588 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.610 -7.743 6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.831 -9.125 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.498 -10.095 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.779 -10.842 6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.039 -9.659 6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.368 -12.035 8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.750 -11.923 7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.609 -11.327 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.312 -9.811 8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.238 -10.433 10.147 1.00 0.00 H new ATOM 661 N TRP A 45 1.738 -5.274 7.557 1.00 0.00 N ATOM 662 CA TRP A 45 1.541 -3.914 6.973 1.00 0.00 C ATOM 663 C TRP A 45 2.501 -2.877 7.633 1.00 0.00 C ATOM 664 O TRP A 45 3.107 -2.046 6.947 1.00 0.00 O ATOM 665 CB TRP A 45 0.056 -3.440 7.109 1.00 0.00 C ATOM 666 CG TRP A 45 -0.944 -4.088 6.169 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.702 -5.048 5.230 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.355 -3.795 6.079 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.863 -5.387 4.585 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.890 -4.626 5.079 1.00 0.00 C ATOM 671 CE3 TRP A 45 -3.215 -2.918 6.756 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -4.241 -4.603 4.731 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.559 -2.896 6.410 1.00 0.00 C ATOM 674 CH2 TRP A 45 -5.059 -3.736 5.405 1.00 0.00 C ATOM 0 H TRP A 45 0.874 -5.721 7.864 1.00 0.00 H new ATOM 0 HA TRP A 45 1.778 -3.981 5.911 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.269 -3.622 8.133 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.025 -2.362 6.952 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.267 -5.479 5.024 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.949 -6.093 3.854 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.838 -2.270 7.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.629 -5.247 3.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.229 -2.222 6.922 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.110 -3.699 5.158 1.00 0.00 H new ATOM 685 N ASP A 46 2.644 -2.974 8.966 1.00 0.00 N ATOM 686 CA ASP A 46 3.551 -2.112 9.757 1.00 0.00 C ATOM 687 C ASP A 46 5.022 -2.423 9.435 1.00 0.00 C ATOM 688 O ASP A 46 5.807 -1.518 9.130 1.00 0.00 O ATOM 689 CB ASP A 46 3.293 -2.290 11.276 1.00 0.00 C ATOM 690 CG ASP A 46 4.290 -1.512 12.157 1.00 0.00 C ATOM 691 OD1 ASP A 46 4.114 -0.291 12.326 1.00 0.00 O ATOM 692 OD2 ASP A 46 5.255 -2.116 12.670 1.00 0.00 O ATOM 0 H ASP A 46 2.134 -3.653 9.531 1.00 0.00 H new ATOM 0 HA ASP A 46 3.346 -1.076 9.486 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.280 -1.960 11.507 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.348 -3.350 11.525 1.00 0.00 H new ATOM 697 N GLU A 47 5.358 -3.730 9.472 1.00 0.00 N ATOM 698 CA GLU A 47 6.745 -4.228 9.339 1.00 0.00 C ATOM 699 C GLU A 47 7.318 -3.951 7.934 1.00 0.00 C ATOM 700 O GLU A 47 8.535 -3.809 7.764 1.00 0.00 O ATOM 701 CB GLU A 47 6.790 -5.756 9.617 1.00 0.00 C ATOM 702 CG GLU A 47 6.304 -6.191 11.014 1.00 0.00 C ATOM 703 CD GLU A 47 6.445 -7.708 11.241 1.00 0.00 C ATOM 704 OE1 GLU A 47 7.580 -8.185 11.445 1.00 0.00 O ATOM 705 OE2 GLU A 47 5.434 -8.432 11.208 1.00 0.00 O ATOM 0 H GLU A 47 4.671 -4.474 9.596 1.00 0.00 H new ATOM 0 HA GLU A 47 7.356 -3.697 10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.183 -6.262 8.866 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.815 -6.102 9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.874 -5.658 11.776 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.260 -5.904 11.138 1.00 0.00 H new ATOM 712 N THR A 48 6.418 -3.844 6.951 1.00 0.00 N ATOM 713 CA THR A 48 6.776 -3.685 5.540 1.00 0.00 C ATOM 714 C THR A 48 6.757 -2.178 5.185 1.00 0.00 C ATOM 715 O THR A 48 5.727 -1.522 5.374 1.00 0.00 O ATOM 716 CB THR A 48 5.776 -4.489 4.646 1.00 0.00 C ATOM 717 OG1 THR A 48 5.705 -5.847 5.124 1.00 0.00 O ATOM 718 CG2 THR A 48 6.195 -4.502 3.169 1.00 0.00 C ATOM 0 H THR A 48 5.412 -3.866 7.115 1.00 0.00 H new ATOM 0 HA THR A 48 7.777 -4.077 5.358 1.00 0.00 H new ATOM 0 HB THR A 48 4.805 -3.998 4.712 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.129 -5.885 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.469 -5.073 2.590 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.236 -3.480 2.793 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.178 -4.963 3.074 1.00 0.00 H new ATOM 726 N PRO A 49 7.915 -1.585 4.739 1.00 0.00 N ATOM 727 CA PRO A 49 7.978 -0.166 4.304 1.00 0.00 C ATOM 728 C PRO A 49 7.406 0.071 2.882 1.00 0.00 C ATOM 729 O PRO A 49 7.144 -0.876 2.132 1.00 0.00 O ATOM 730 CB PRO A 49 9.499 0.140 4.362 1.00 0.00 C ATOM 731 CG PRO A 49 10.152 -1.172 4.046 1.00 0.00 C ATOM 732 CD PRO A 49 9.260 -2.232 4.670 1.00 0.00 C ATOM 0 HA PRO A 49 7.369 0.483 4.933 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.778 0.908 3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.794 0.505 5.346 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.239 -1.317 2.969 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.161 -1.217 4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.235 -3.138 4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.615 -2.519 5.660 1.00 0.00 H new ATOM 740 N VAL A 50 7.207 1.359 2.546 1.00 0.00 N ATOM 741 CA VAL A 50 6.763 1.821 1.211 1.00 0.00 C ATOM 742 C VAL A 50 7.970 2.423 0.450 1.00 0.00 C ATOM 743 O VAL A 50 8.847 3.030 1.076 1.00 0.00 O ATOM 744 CB VAL A 50 5.616 2.900 1.357 1.00 0.00 C ATOM 745 CG1 VAL A 50 5.080 3.368 -0.013 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.461 2.373 2.242 1.00 0.00 C ATOM 0 H VAL A 50 7.352 2.124 3.204 1.00 0.00 H new ATOM 0 HA VAL A 50 6.368 0.974 0.650 1.00 0.00 H new ATOM 0 HB VAL A 50 6.059 3.766 1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.294 4.108 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.892 3.812 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.675 2.514 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.688 3.137 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.038 1.475 1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.843 2.135 3.235 1.00 0.00 H new ATOM 756 N THR A 51 8.010 2.250 -0.888 1.00 0.00 N ATOM 757 CA THR A 51 9.091 2.783 -1.752 1.00 0.00 C ATOM 758 C THR A 51 8.549 3.956 -2.600 1.00 0.00 C ATOM 759 O THR A 51 7.366 3.972 -2.950 1.00 0.00 O ATOM 760 CB THR A 51 9.655 1.661 -2.690 1.00 0.00 C ATOM 761 OG1 THR A 51 10.004 0.507 -1.903 1.00 0.00 O ATOM 762 CG2 THR A 51 10.889 2.113 -3.502 1.00 0.00 C ATOM 0 H THR A 51 7.294 1.737 -1.403 1.00 0.00 H new ATOM 0 HA THR A 51 9.902 3.139 -1.116 1.00 0.00 H new ATOM 0 HB THR A 51 8.868 1.422 -3.405 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.355 -0.195 -2.490 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.231 1.291 -4.131 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.620 2.963 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.687 2.404 -2.819 1.00 0.00 H new ATOM 770 N ALA A 52 9.420 4.934 -2.916 1.00 0.00 N ATOM 771 CA ALA A 52 9.076 6.097 -3.751 1.00 0.00 C ATOM 772 C ALA A 52 8.753 5.659 -5.187 1.00 0.00 C ATOM 773 O ALA A 52 9.635 5.163 -5.895 1.00 0.00 O ATOM 774 CB ALA A 52 10.234 7.112 -3.747 1.00 0.00 C ATOM 0 H ALA A 52 10.388 4.937 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 52 8.189 6.573 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.969 7.968 -4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.421 7.447 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.133 6.640 -4.144 1.00 0.00 H new ATOM 780 N GLY A 53 7.494 5.862 -5.609 1.00 0.00 N ATOM 781 CA GLY A 53 7.040 5.451 -6.941 1.00 0.00 C ATOM 782 C GLY A 53 6.950 3.948 -7.085 1.00 0.00 C ATOM 783 O GLY A 53 7.342 3.392 -8.115 1.00 0.00 O ATOM 0 H GLY A 53 6.773 6.310 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.063 5.891 -7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.725 5.844 -7.692 1.00 0.00 H new ATOM 787 N ASP A 54 6.445 3.297 -6.030 1.00 0.00 N ATOM 788 CA ASP A 54 6.296 1.833 -5.985 1.00 0.00 C ATOM 789 C ASP A 54 5.011 1.404 -6.709 1.00 0.00 C ATOM 790 O ASP A 54 4.019 2.138 -6.712 1.00 0.00 O ATOM 791 CB ASP A 54 6.275 1.335 -4.519 1.00 0.00 C ATOM 792 CG ASP A 54 6.493 -0.181 -4.417 1.00 0.00 C ATOM 793 OD1 ASP A 54 5.518 -0.962 -4.533 1.00 0.00 O ATOM 794 OD2 ASP A 54 7.662 -0.606 -4.266 1.00 0.00 O ATOM 0 H ASP A 54 6.128 3.768 -5.183 1.00 0.00 H new ATOM 0 HA ASP A 54 7.150 1.384 -6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.050 1.850 -3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.320 1.594 -4.063 1.00 0.00 H new ATOM 799 N GLU A 55 5.040 0.202 -7.305 1.00 0.00 N ATOM 800 CA GLU A 55 3.893 -0.380 -8.005 1.00 0.00 C ATOM 801 C GLU A 55 2.973 -1.100 -6.986 1.00 0.00 C ATOM 802 O GLU A 55 3.061 -2.315 -6.772 1.00 0.00 O ATOM 803 CB GLU A 55 4.365 -1.351 -9.122 1.00 0.00 C ATOM 804 CG GLU A 55 5.192 -0.718 -10.274 1.00 0.00 C ATOM 805 CD GLU A 55 6.657 -0.403 -9.910 1.00 0.00 C ATOM 806 OE1 GLU A 55 7.499 -1.322 -9.931 1.00 0.00 O ATOM 807 OE2 GLU A 55 6.975 0.757 -9.585 1.00 0.00 O ATOM 0 H GLU A 55 5.867 -0.394 -7.313 1.00 0.00 H new ATOM 0 HA GLU A 55 3.325 0.417 -8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.963 -2.138 -8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.486 -1.830 -9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.180 -1.396 -11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.703 0.203 -10.592 1.00 0.00 H new ATOM 814 N ILE A 56 2.133 -0.302 -6.324 1.00 0.00 N ATOM 815 CA ILE A 56 1.195 -0.752 -5.276 1.00 0.00 C ATOM 816 C ILE A 56 -0.219 -0.926 -5.883 1.00 0.00 C ATOM 817 O ILE A 56 -0.551 -0.282 -6.878 1.00 0.00 O ATOM 818 CB ILE A 56 1.152 0.308 -4.102 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.597 0.684 -3.662 1.00 0.00 C ATOM 820 CG2 ILE A 56 0.317 -0.197 -2.891 1.00 0.00 C ATOM 821 CD1 ILE A 56 2.699 1.796 -2.638 1.00 0.00 C ATOM 0 H ILE A 56 2.080 0.701 -6.501 1.00 0.00 H new ATOM 0 HA ILE A 56 1.533 -1.708 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 56 0.655 1.201 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.077 -0.206 -3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.163 0.975 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.315 0.562 -2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.707 -0.392 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.757 -1.116 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.747 1.978 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.255 2.705 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.168 1.506 -1.731 1.00 0.00 H new ATOM 833 N GLU A 57 -1.035 -1.803 -5.281 1.00 0.00 N ATOM 834 CA GLU A 57 -2.434 -2.024 -5.689 1.00 0.00 C ATOM 835 C GLU A 57 -3.249 -2.471 -4.469 1.00 0.00 C ATOM 836 O GLU A 57 -2.888 -3.443 -3.814 1.00 0.00 O ATOM 837 CB GLU A 57 -2.507 -3.096 -6.812 1.00 0.00 C ATOM 838 CG GLU A 57 -3.937 -3.434 -7.293 1.00 0.00 C ATOM 839 CD GLU A 57 -3.963 -4.420 -8.469 1.00 0.00 C ATOM 840 OE1 GLU A 57 -3.654 -3.998 -9.608 1.00 0.00 O ATOM 841 OE2 GLU A 57 -4.294 -5.608 -8.272 1.00 0.00 O ATOM 0 H GLU A 57 -0.744 -2.383 -4.494 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.849 -1.095 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.924 -2.749 -7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.034 -4.010 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.503 -3.855 -6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.441 -2.514 -7.588 1.00 0.00 H new ATOM 848 N ILE A 58 -4.343 -1.759 -4.164 1.00 0.00 N ATOM 849 CA ILE A 58 -5.251 -2.136 -3.069 1.00 0.00 C ATOM 850 C ILE A 58 -6.182 -3.245 -3.566 1.00 0.00 C ATOM 851 O ILE A 58 -7.084 -2.994 -4.367 1.00 0.00 O ATOM 852 CB ILE A 58 -6.109 -0.917 -2.566 1.00 0.00 C ATOM 853 CG1 ILE A 58 -5.185 0.261 -2.152 1.00 0.00 C ATOM 854 CG2 ILE A 58 -7.060 -1.331 -1.406 1.00 0.00 C ATOM 855 CD1 ILE A 58 -5.919 1.550 -1.832 1.00 0.00 C ATOM 0 H ILE A 58 -4.622 -0.914 -4.663 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.649 -2.480 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.739 -0.581 -3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.604 -0.038 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.476 0.451 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.638 -0.465 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.738 -2.111 -1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.471 -1.707 -0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.199 2.319 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.478 1.878 -2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.608 1.381 -1.005 1.00 0.00 H new ATOM 867 N LEU A 59 -5.917 -4.469 -3.115 1.00 0.00 N ATOM 868 CA LEU A 59 -6.768 -5.625 -3.385 1.00 0.00 C ATOM 869 C LEU A 59 -7.913 -5.645 -2.373 1.00 0.00 C ATOM 870 O LEU A 59 -7.672 -5.724 -1.179 1.00 0.00 O ATOM 871 CB LEU A 59 -5.921 -6.930 -3.308 1.00 0.00 C ATOM 872 CG LEU A 59 -5.062 -7.247 -4.569 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.061 -8.383 -4.300 1.00 0.00 C ATOM 874 CD2 LEU A 59 -5.971 -7.588 -5.763 1.00 0.00 C ATOM 0 H LEU A 59 -5.099 -4.688 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.190 -5.559 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.258 -6.862 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.593 -7.769 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.484 -6.356 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.479 -8.577 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.391 -8.093 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.602 -9.286 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.357 -7.807 -6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.580 -8.459 -5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.621 -6.740 -5.980 1.00 0.00 H new