USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 723 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : no HE2:sc= 0.764 K(o=1,f=-2.3!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.247 USER MOD Set 2.1: A 62 ASN : amide:sc= 0.755 X(o=1.7,f=1.5) USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0.904 USER MOD Set 3.1: A 13 GLN : amide:sc= 0.793 K(o=2.8,f=-2.1!) USER MOD Set 3.2: A 36 ASN : amide:sc= 2 K(o=2.8,f=-2.1) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.104 (180deg=-1.47) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.145 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.08 K(o=1.1,f=-2.8!) USER MOD Single : A 4 TYR OH : rot 106:sc= 1.92 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.305 K(o=0.3,f=-3.7!) USER MOD Single : A 23 MET CE :methyl 153:sc= -0.763 (180deg=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.17 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= 1.11 (180deg=0.411) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.13) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.84 K(o=0.84,f=-0.21) USER MOD Single : A 55 SER OG : rot 84:sc= 1.26 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -161:sc= 1.4 USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0445) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0431 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 84 HIS : no HE2:sc= 0.499 K(o=0.5,f=-1.6!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0386 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.017 -0.738 1.565 1.00 0.00 N ATOM 2 CA MET A 1 2.457 -0.334 0.247 1.00 0.00 C ATOM 3 C MET A 1 2.745 -1.428 -0.803 1.00 0.00 C ATOM 4 O MET A 1 3.405 -2.417 -0.476 1.00 0.00 O ATOM 5 CB MET A 1 2.973 1.064 -0.165 1.00 0.00 C ATOM 6 CG MET A 1 1.903 1.857 -0.925 1.00 0.00 C ATOM 7 SD MET A 1 2.464 3.385 -1.730 1.00 0.00 S ATOM 8 CE MET A 1 3.677 2.710 -2.898 1.00 0.00 C ATOM 0 H1 MET A 1 2.259 -0.746 2.277 1.00 0.00 H new ATOM 0 H2 MET A 1 3.431 -1.689 1.490 1.00 0.00 H new ATOM 0 H3 MET A 1 3.753 -0.062 1.851 1.00 0.00 H new ATOM 0 HA MET A 1 1.373 -0.242 0.321 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.275 1.618 0.724 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.860 0.956 -0.790 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.470 1.207 -1.686 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.103 2.110 -0.229 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.827 3.416 -3.715 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.624 2.543 -2.384 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.310 1.765 -3.298 1.00 0.00 H new ATOM 20 N LEU A 2 2.250 -1.310 -2.044 1.00 0.00 N ATOM 21 CA LEU A 2 2.275 -2.385 -3.043 1.00 0.00 C ATOM 22 C LEU A 2 2.767 -1.869 -4.404 1.00 0.00 C ATOM 23 O LEU A 2 3.038 -0.681 -4.590 1.00 0.00 O ATOM 24 CB LEU A 2 0.869 -3.016 -3.178 1.00 0.00 C ATOM 25 CG LEU A 2 0.603 -4.262 -2.306 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.223 -3.913 -0.862 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.535 -5.084 -2.922 1.00 0.00 C ATOM 0 H LEU A 2 1.815 -0.453 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 2 2.975 -3.149 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.126 -2.258 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.712 -3.287 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 2 1.533 -4.829 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.049 -4.830 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.034 -3.352 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.684 -3.309 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.723 -5.964 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.438 -4.476 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.254 -5.398 -3.927 1.00 0.00 H new ATOM 39 N GLN A 3 2.875 -2.787 -5.364 1.00 0.00 N ATOM 40 CA GLN A 3 3.261 -2.582 -6.748 1.00 0.00 C ATOM 41 C GLN A 3 2.496 -3.595 -7.611 1.00 0.00 C ATOM 42 O GLN A 3 2.088 -4.646 -7.105 1.00 0.00 O ATOM 43 CB GLN A 3 4.798 -2.717 -6.797 1.00 0.00 C ATOM 44 CG GLN A 3 5.481 -2.793 -8.172 1.00 0.00 C ATOM 45 CD GLN A 3 5.826 -4.230 -8.573 1.00 0.00 C ATOM 46 OE1 GLN A 3 4.969 -5.106 -8.652 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.094 -4.508 -8.817 1.00 0.00 N ATOM 0 H GLN A 3 2.678 -3.769 -5.172 1.00 0.00 H new ATOM 0 HA GLN A 3 3.005 -1.600 -7.145 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.223 -1.868 -6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 3 5.071 -3.614 -6.241 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.825 -2.356 -8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.392 -2.194 -8.156 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.799 -3.774 -8.749 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.368 -5.456 -9.073 1.00 0.00 H new ATOM 56 N TYR A 4 2.295 -3.282 -8.896 1.00 0.00 N ATOM 57 CA TYR A 4 1.786 -4.218 -9.894 1.00 0.00 C ATOM 58 C TYR A 4 2.803 -4.406 -11.015 1.00 0.00 C ATOM 59 O TYR A 4 3.675 -3.560 -11.240 1.00 0.00 O ATOM 60 CB TYR A 4 0.391 -3.817 -10.443 1.00 0.00 C ATOM 61 CG TYR A 4 0.238 -2.508 -11.227 1.00 0.00 C ATOM 62 CD1 TYR A 4 1.057 -2.177 -12.331 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.814 -1.631 -10.893 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.935 -0.934 -12.972 1.00 0.00 C ATOM 65 CE2 TYR A 4 -0.948 -0.387 -11.530 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.043 -0.012 -12.543 1.00 0.00 C ATOM 67 OH TYR A 4 -0.104 1.234 -13.087 1.00 0.00 O ATOM 0 H TYR A 4 2.486 -2.354 -9.274 1.00 0.00 H new ATOM 0 HA TYR A 4 1.642 -5.176 -9.394 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.048 -4.626 -11.088 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.293 -3.773 -9.596 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.786 -2.890 -12.686 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.528 -1.920 -10.136 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.590 -0.684 -13.794 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.745 0.283 -11.243 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.873 1.289 -13.692 1.00 0.00 H new ATOM 77 N ARG A 5 2.578 -5.456 -11.803 1.00 0.00 N ATOM 78 CA ARG A 5 3.022 -5.581 -13.185 1.00 0.00 C ATOM 79 C ARG A 5 1.781 -6.027 -13.951 1.00 0.00 C ATOM 80 O ARG A 5 1.058 -6.906 -13.483 1.00 0.00 O ATOM 81 CB ARG A 5 4.183 -6.585 -13.278 1.00 0.00 C ATOM 82 CG ARG A 5 4.790 -6.666 -14.689 1.00 0.00 C ATOM 83 CD ARG A 5 5.962 -7.657 -14.704 1.00 0.00 C ATOM 84 NE ARG A 5 6.626 -7.705 -16.018 1.00 0.00 N ATOM 85 CZ ARG A 5 7.886 -8.086 -16.259 1.00 0.00 C ATOM 86 NH1 ARG A 5 8.647 -8.599 -15.293 1.00 0.00 N ATOM 87 NH2 ARG A 5 8.371 -7.943 -17.486 1.00 0.00 N ATOM 0 H ARG A 5 2.061 -6.274 -11.481 1.00 0.00 H new ATOM 0 HA ARG A 5 3.414 -4.653 -13.601 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.960 -6.301 -12.569 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.828 -7.572 -12.983 1.00 0.00 H new ATOM 0 HG2 ARG A 5 4.029 -6.980 -15.403 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.133 -5.680 -15.003 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.687 -7.373 -13.941 1.00 0.00 H new ATOM 0 HD3 ARG A 5 5.599 -8.652 -14.444 1.00 0.00 H new ATOM 0 HE ARG A 5 6.070 -7.419 -16.824 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.271 -8.707 -14.351 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.605 -8.884 -15.496 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.786 -7.549 -18.223 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.329 -8.227 -17.692 1.00 0.00 H new ATOM 101 N ILE A 6 1.501 -5.408 -15.090 1.00 0.00 N ATOM 102 CA ILE A 6 0.294 -5.619 -15.880 1.00 0.00 C ATOM 103 C ILE A 6 0.773 -5.776 -17.314 1.00 0.00 C ATOM 104 O ILE A 6 1.680 -5.059 -17.735 1.00 0.00 O ATOM 105 CB ILE A 6 -0.666 -4.412 -15.722 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.203 -4.305 -14.281 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.837 -4.472 -16.724 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.941 -2.995 -13.996 1.00 0.00 C ATOM 0 H ILE A 6 2.130 -4.720 -15.505 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.267 -6.497 -15.559 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.082 -3.518 -15.941 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.877 -5.140 -14.091 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.370 -4.402 -13.584 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.485 -3.608 -16.579 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.446 -4.465 -17.741 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.409 -5.386 -16.561 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.290 -2.991 -12.963 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.265 -2.155 -14.154 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.795 -2.905 -14.668 1.00 0.00 H new ATOM 120 N ILE A 7 0.154 -6.675 -18.075 1.00 0.00 N ATOM 121 CA ILE A 7 0.440 -6.882 -19.484 1.00 0.00 C ATOM 122 C ILE A 7 -0.915 -6.949 -20.185 1.00 0.00 C ATOM 123 O ILE A 7 -1.796 -7.710 -19.779 1.00 0.00 O ATOM 124 CB ILE A 7 1.327 -8.135 -19.745 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.531 -9.120 -18.563 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.679 -7.719 -20.341 1.00 0.00 C ATOM 127 CD1 ILE A 7 2.638 -8.762 -17.555 1.00 0.00 C ATOM 0 H ILE A 7 -0.576 -7.291 -17.717 1.00 0.00 H new ATOM 0 HA ILE A 7 1.038 -6.062 -19.883 1.00 0.00 H new ATOM 0 HB ILE A 7 0.743 -8.717 -20.458 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.589 -9.202 -18.021 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.749 -10.106 -18.974 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.287 -8.606 -20.518 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.516 -7.197 -21.284 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.195 -7.058 -19.645 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.683 -9.525 -16.778 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.597 -8.712 -18.070 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.419 -7.795 -17.102 1.00 0.00 H new ATOM 139 N VAL A 8 -1.094 -6.163 -21.244 1.00 0.00 N ATOM 140 CA VAL A 8 -2.391 -5.856 -21.841 1.00 0.00 C ATOM 141 C VAL A 8 -2.277 -5.869 -23.357 1.00 0.00 C ATOM 142 O VAL A 8 -1.319 -5.328 -23.910 1.00 0.00 O ATOM 143 CB VAL A 8 -2.895 -4.481 -21.347 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.613 -4.653 -20.009 1.00 0.00 C ATOM 145 CG2 VAL A 8 -1.806 -3.402 -21.203 1.00 0.00 C ATOM 0 H VAL A 8 -0.317 -5.709 -21.724 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.112 -6.615 -21.537 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.569 -4.120 -22.124 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.969 -3.684 -19.660 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.460 -5.327 -20.135 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.922 -5.071 -19.277 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.257 -2.474 -20.851 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.056 -3.735 -20.486 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.333 -3.232 -22.170 1.00 0.00 H new ATOM 155 N ASP A 9 -3.266 -6.456 -24.027 1.00 0.00 N ATOM 156 CA ASP A 9 -3.336 -6.560 -25.480 1.00 0.00 C ATOM 157 C ASP A 9 -4.725 -6.116 -25.928 1.00 0.00 C ATOM 158 O ASP A 9 -5.691 -6.220 -25.168 1.00 0.00 O ATOM 159 CB ASP A 9 -3.058 -8.000 -25.924 1.00 0.00 C ATOM 160 CG ASP A 9 -3.151 -8.146 -27.452 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.576 -7.304 -28.178 1.00 0.00 O ATOM 162 OD2 ASP A 9 -3.788 -9.110 -27.932 1.00 0.00 O ATOM 0 H ASP A 9 -4.064 -6.885 -23.558 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.581 -5.920 -25.937 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.065 -8.300 -25.588 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.772 -8.673 -25.449 1.00 0.00 H new ATOM 167 N GLY A 10 -4.819 -5.576 -27.138 1.00 0.00 N ATOM 168 CA GLY A 10 -5.989 -4.903 -27.664 1.00 0.00 C ATOM 169 C GLY A 10 -5.496 -3.811 -28.596 1.00 0.00 C ATOM 170 O GLY A 10 -4.385 -3.894 -29.130 1.00 0.00 O ATOM 0 H GLY A 10 -4.046 -5.599 -27.803 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.629 -5.605 -28.198 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.585 -4.479 -26.856 1.00 0.00 H new ATOM 174 N ARG A 11 -6.282 -2.747 -28.751 1.00 0.00 N ATOM 175 CA ARG A 11 -5.783 -1.513 -29.343 1.00 0.00 C ATOM 176 C ARG A 11 -5.013 -0.787 -28.238 1.00 0.00 C ATOM 177 O ARG A 11 -5.555 0.114 -27.600 1.00 0.00 O ATOM 178 CB ARG A 11 -6.947 -0.699 -29.941 1.00 0.00 C ATOM 179 CG ARG A 11 -6.517 0.547 -30.735 1.00 0.00 C ATOM 180 CD ARG A 11 -5.918 0.253 -32.119 1.00 0.00 C ATOM 181 NE ARG A 11 -4.473 -0.039 -32.061 1.00 0.00 N ATOM 182 CZ ARG A 11 -3.843 -1.130 -32.511 1.00 0.00 C ATOM 183 NH1 ARG A 11 -4.516 -2.166 -33.006 1.00 0.00 N ATOM 184 NH2 ARG A 11 -2.519 -1.167 -32.441 1.00 0.00 N ATOM 0 H ARG A 11 -7.263 -2.717 -28.475 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.110 -1.689 -30.182 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.528 -1.348 -30.596 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.608 -0.388 -29.132 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.382 1.198 -30.860 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.784 1.100 -30.147 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.439 -0.595 -32.564 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.086 1.109 -32.773 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.886 0.674 -31.627 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.535 -2.139 -33.048 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.013 -2.987 -33.343 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.007 -0.376 -32.051 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.013 -1.987 -32.777 1.00 0.00 H new ATOM 198 N VAL A 12 -3.776 -1.220 -27.975 1.00 0.00 N ATOM 199 CA VAL A 12 -2.967 -0.734 -26.855 1.00 0.00 C ATOM 200 C VAL A 12 -1.805 0.147 -27.329 1.00 0.00 C ATOM 201 O VAL A 12 -0.992 0.587 -26.519 1.00 0.00 O ATOM 202 CB VAL A 12 -2.516 -1.910 -25.961 1.00 0.00 C ATOM 203 CG1 VAL A 12 -3.723 -2.551 -25.264 1.00 0.00 C ATOM 204 CG2 VAL A 12 -1.732 -2.992 -26.723 1.00 0.00 C ATOM 0 H VAL A 12 -3.304 -1.926 -28.541 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.588 -0.086 -26.237 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.838 -1.481 -25.223 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.385 -3.378 -24.639 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.222 -1.807 -24.643 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.420 -2.925 -26.014 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.447 -3.787 -26.034 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.357 -3.405 -27.515 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.836 -2.552 -27.160 1.00 0.00 H new ATOM 214 N GLN A 13 -1.709 0.436 -28.629 1.00 0.00 N ATOM 215 CA GLN A 13 -0.672 1.291 -29.193 1.00 0.00 C ATOM 216 C GLN A 13 -1.236 1.915 -30.470 1.00 0.00 C ATOM 217 O GLN A 13 -2.137 1.339 -31.088 1.00 0.00 O ATOM 218 CB GLN A 13 0.584 0.432 -29.460 1.00 0.00 C ATOM 219 CG GLN A 13 1.900 1.219 -29.574 1.00 0.00 C ATOM 220 CD GLN A 13 2.355 1.803 -28.235 1.00 0.00 C ATOM 221 OE1 GLN A 13 2.267 3.005 -27.997 1.00 0.00 O ATOM 222 NE2 GLN A 13 2.854 0.973 -27.330 1.00 0.00 N ATOM 0 H GLN A 13 -2.361 0.076 -29.326 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.380 2.093 -28.515 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.684 -0.298 -28.657 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.433 -0.128 -30.383 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.679 0.563 -29.963 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.774 2.027 -30.295 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.924 -0.024 -27.535 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.168 1.331 -26.428 1.00 0.00 H new ATOM 231 N GLY A 14 -0.732 3.086 -30.864 1.00 0.00 N ATOM 232 CA GLY A 14 -1.138 3.765 -32.095 1.00 0.00 C ATOM 233 C GLY A 14 -2.304 4.741 -31.899 1.00 0.00 C ATOM 234 O GLY A 14 -2.671 5.434 -32.849 1.00 0.00 O ATOM 0 H GLY A 14 -0.025 3.594 -30.333 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.284 4.308 -32.500 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.421 3.018 -32.836 1.00 0.00 H new ATOM 238 N VAL A 15 -2.873 4.822 -30.690 1.00 0.00 N ATOM 239 CA VAL A 15 -4.042 5.656 -30.371 1.00 0.00 C ATOM 240 C VAL A 15 -3.830 6.472 -29.082 1.00 0.00 C ATOM 241 O VAL A 15 -4.774 7.064 -28.557 1.00 0.00 O ATOM 242 CB VAL A 15 -5.318 4.780 -30.318 1.00 0.00 C ATOM 243 CG1 VAL A 15 -5.597 4.081 -31.657 1.00 0.00 C ATOM 244 CG2 VAL A 15 -5.264 3.721 -29.205 1.00 0.00 C ATOM 0 H VAL A 15 -2.526 4.298 -29.887 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.174 6.389 -31.167 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.130 5.473 -30.100 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.501 3.478 -31.571 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.733 4.830 -32.437 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.755 3.438 -31.914 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.184 3.136 -29.214 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.413 3.061 -29.372 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.157 4.214 -28.239 1.00 0.00 H new ATOM 254 N GLY A 16 -2.604 6.491 -28.541 1.00 0.00 N ATOM 255 CA GLY A 16 -2.294 7.178 -27.289 1.00 0.00 C ATOM 256 C GLY A 16 -2.716 6.386 -26.049 1.00 0.00 C ATOM 257 O GLY A 16 -2.750 6.959 -24.960 1.00 0.00 O ATOM 0 H GLY A 16 -1.800 6.028 -28.964 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.222 7.370 -27.243 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.792 8.147 -27.280 1.00 0.00 H new ATOM 261 N PHE A 17 -3.011 5.083 -26.176 1.00 0.00 N ATOM 262 CA PHE A 17 -3.404 4.223 -25.054 1.00 0.00 C ATOM 263 C PHE A 17 -2.421 4.350 -23.893 1.00 0.00 C ATOM 264 O PHE A 17 -2.831 4.544 -22.750 1.00 0.00 O ATOM 265 CB PHE A 17 -3.474 2.759 -25.513 1.00 0.00 C ATOM 266 CG PHE A 17 -3.619 1.748 -24.382 1.00 0.00 C ATOM 267 CD1 PHE A 17 -4.898 1.390 -23.925 1.00 0.00 C ATOM 268 CD2 PHE A 17 -2.485 1.165 -23.781 1.00 0.00 C ATOM 269 CE1 PHE A 17 -5.052 0.471 -22.874 1.00 0.00 C ATOM 270 CE2 PHE A 17 -2.634 0.236 -22.735 1.00 0.00 C ATOM 271 CZ PHE A 17 -3.919 -0.111 -22.281 1.00 0.00 C ATOM 0 H PHE A 17 -2.982 4.594 -27.071 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.387 4.545 -24.710 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.317 2.645 -26.195 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.572 2.525 -26.079 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.772 1.826 -24.386 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.497 1.433 -24.125 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.040 0.212 -22.522 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.762 -0.211 -22.281 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.035 -0.824 -21.478 1.00 0.00 H new ATOM 281 N ARG A 18 -1.114 4.267 -24.163 1.00 0.00 N ATOM 282 CA ARG A 18 -0.155 4.303 -23.066 1.00 0.00 C ATOM 283 C ARG A 18 0.047 5.705 -22.484 1.00 0.00 C ATOM 284 O ARG A 18 0.534 5.810 -21.365 1.00 0.00 O ATOM 285 CB ARG A 18 1.134 3.553 -23.402 1.00 0.00 C ATOM 286 CG ARG A 18 1.981 4.080 -24.565 1.00 0.00 C ATOM 287 CD ARG A 18 3.241 3.207 -24.604 1.00 0.00 C ATOM 288 NE ARG A 18 4.113 3.523 -25.747 1.00 0.00 N ATOM 289 CZ ARG A 18 5.449 3.403 -25.761 1.00 0.00 C ATOM 290 NH1 ARG A 18 6.093 2.992 -24.669 1.00 0.00 N ATOM 291 NH2 ARG A 18 6.127 3.685 -26.867 1.00 0.00 N ATOM 0 H ARG A 18 -0.711 4.178 -25.096 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.597 3.745 -22.240 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.759 3.543 -22.509 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.873 2.517 -23.619 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.434 4.017 -25.506 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.238 5.129 -24.416 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.800 3.340 -23.678 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.950 2.158 -24.653 1.00 0.00 H new ATOM 0 HE ARG A 18 3.664 3.861 -26.598 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.570 2.769 -23.822 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.109 2.901 -24.680 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.632 3.992 -27.704 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.143 3.594 -26.880 1.00 0.00 H new ATOM 305 N TYR A 19 -0.375 6.776 -23.164 1.00 0.00 N ATOM 306 CA TYR A 19 -0.522 8.066 -22.493 1.00 0.00 C ATOM 307 C TYR A 19 -1.744 8.011 -21.570 1.00 0.00 C ATOM 308 O TYR A 19 -1.650 8.403 -20.405 1.00 0.00 O ATOM 309 CB TYR A 19 -0.644 9.205 -23.513 1.00 0.00 C ATOM 310 CG TYR A 19 -0.668 10.577 -22.866 1.00 0.00 C ATOM 311 CD1 TYR A 19 0.534 11.175 -22.444 1.00 0.00 C ATOM 312 CD2 TYR A 19 -1.893 11.244 -22.660 1.00 0.00 C ATOM 313 CE1 TYR A 19 0.520 12.436 -21.819 1.00 0.00 C ATOM 314 CE2 TYR A 19 -1.913 12.506 -22.041 1.00 0.00 C ATOM 315 CZ TYR A 19 -0.708 13.108 -21.614 1.00 0.00 C ATOM 316 OH TYR A 19 -0.744 14.330 -21.011 1.00 0.00 O ATOM 0 H TYR A 19 -0.615 6.775 -24.155 1.00 0.00 H new ATOM 0 HA TYR A 19 0.367 8.267 -21.895 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.192 9.152 -24.210 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.555 9.068 -24.096 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.472 10.664 -22.601 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.817 10.785 -22.978 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.445 12.890 -21.496 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.853 13.017 -21.891 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.672 14.640 -20.956 1.00 0.00 H new ATOM 326 N PHE A 20 -2.870 7.473 -22.062 1.00 0.00 N ATOM 327 CA PHE A 20 -4.095 7.320 -21.286 1.00 0.00 C ATOM 328 C PHE A 20 -3.819 6.609 -19.965 1.00 0.00 C ATOM 329 O PHE A 20 -4.216 7.138 -18.926 1.00 0.00 O ATOM 330 CB PHE A 20 -5.218 6.646 -22.106 1.00 0.00 C ATOM 331 CG PHE A 20 -6.145 5.738 -21.309 1.00 0.00 C ATOM 332 CD1 PHE A 20 -7.192 6.288 -20.545 1.00 0.00 C ATOM 333 CD2 PHE A 20 -5.929 4.345 -21.280 1.00 0.00 C ATOM 334 CE1 PHE A 20 -8.020 5.452 -19.773 1.00 0.00 C ATOM 335 CE2 PHE A 20 -6.747 3.512 -20.496 1.00 0.00 C ATOM 336 CZ PHE A 20 -7.796 4.065 -19.743 1.00 0.00 C ATOM 0 H PHE A 20 -2.949 7.131 -23.020 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.463 8.316 -21.040 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.817 7.424 -22.581 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.762 6.062 -22.906 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.360 7.355 -20.551 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.129 3.914 -21.864 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.831 5.878 -19.201 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.569 2.447 -20.473 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.428 3.427 -19.143 1.00 0.00 H new ATOM 346 N VAL A 21 -3.102 5.478 -19.955 1.00 0.00 N ATOM 347 CA VAL A 21 -2.870 4.801 -18.693 1.00 0.00 C ATOM 348 C VAL A 21 -2.076 5.692 -17.737 1.00 0.00 C ATOM 349 O VAL A 21 -2.405 5.724 -16.559 1.00 0.00 O ATOM 350 CB VAL A 21 -2.266 3.399 -18.858 1.00 0.00 C ATOM 351 CG1 VAL A 21 -3.085 2.516 -19.812 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.783 3.360 -19.240 1.00 0.00 C ATOM 0 H VAL A 21 -2.691 5.034 -20.776 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.844 4.625 -18.237 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.321 2.986 -17.851 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.615 1.536 -19.894 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.097 2.402 -19.424 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.124 2.983 -20.796 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.458 2.324 -19.331 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.639 3.870 -20.192 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.195 3.858 -18.469 1.00 0.00 H new ATOM 362 N GLN A 22 -1.106 6.488 -18.199 1.00 0.00 N ATOM 363 CA GLN A 22 -0.377 7.363 -17.288 1.00 0.00 C ATOM 364 C GLN A 22 -1.220 8.562 -16.834 1.00 0.00 C ATOM 365 O GLN A 22 -0.991 9.070 -15.733 1.00 0.00 O ATOM 366 CB GLN A 22 0.989 7.757 -17.864 1.00 0.00 C ATOM 367 CG GLN A 22 1.908 6.574 -18.244 1.00 0.00 C ATOM 368 CD GLN A 22 2.246 5.567 -17.129 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.405 5.119 -16.360 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.493 5.144 -17.015 1.00 0.00 N ATOM 0 H GLN A 22 -0.816 6.542 -19.175 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.172 6.797 -16.379 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.828 8.371 -18.750 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.507 8.379 -17.135 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.438 6.029 -19.062 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.843 6.981 -18.628 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.212 5.502 -17.643 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.736 4.460 -16.299 1.00 0.00 H new ATOM 379 N MET A 23 -2.247 8.965 -17.593 1.00 0.00 N ATOM 380 CA MET A 23 -3.252 9.893 -17.058 1.00 0.00 C ATOM 381 C MET A 23 -3.978 9.232 -15.883 1.00 0.00 C ATOM 382 O MET A 23 -4.135 9.842 -14.826 1.00 0.00 O ATOM 383 CB MET A 23 -4.315 10.316 -18.083 1.00 0.00 C ATOM 384 CG MET A 23 -3.802 10.982 -19.362 1.00 0.00 C ATOM 385 SD MET A 23 -5.120 11.809 -20.305 1.00 0.00 S ATOM 386 CE MET A 23 -6.188 10.417 -20.788 1.00 0.00 C ATOM 0 H MET A 23 -2.403 8.672 -18.557 1.00 0.00 H new ATOM 0 HA MET A 23 -2.705 10.787 -16.758 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.888 9.433 -18.364 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.006 11.003 -17.594 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.034 11.711 -19.103 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.328 10.230 -19.993 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.209 10.772 -20.925 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.825 9.987 -21.722 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.170 9.657 -20.007 1.00 0.00 H new ATOM 396 N GLU A 24 -4.409 7.980 -16.052 1.00 0.00 N ATOM 397 CA GLU A 24 -5.133 7.246 -15.023 1.00 0.00 C ATOM 398 C GLU A 24 -4.227 6.964 -13.814 1.00 0.00 C ATOM 399 O GLU A 24 -4.701 6.987 -12.678 1.00 0.00 O ATOM 400 CB GLU A 24 -5.735 5.958 -15.613 1.00 0.00 C ATOM 401 CG GLU A 24 -6.749 6.212 -16.746 1.00 0.00 C ATOM 402 CD GLU A 24 -7.999 6.959 -16.262 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.977 6.304 -15.839 1.00 0.00 O ATOM 404 OE2 GLU A 24 -8.007 8.209 -16.255 1.00 0.00 O ATOM 0 H GLU A 24 -4.263 7.449 -16.911 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.959 7.859 -14.663 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.928 5.331 -15.993 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.226 5.398 -14.817 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.269 6.789 -17.536 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.046 5.259 -17.183 1.00 0.00 H new ATOM 411 N ALA A 25 -2.924 6.767 -14.045 1.00 0.00 N ATOM 412 CA ALA A 25 -1.913 6.630 -13.008 1.00 0.00 C ATOM 413 C ALA A 25 -1.861 7.904 -12.174 1.00 0.00 C ATOM 414 O ALA A 25 -1.953 7.830 -10.952 1.00 0.00 O ATOM 415 CB ALA A 25 -0.541 6.355 -13.636 1.00 0.00 C ATOM 0 H ALA A 25 -2.540 6.698 -14.987 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.174 5.790 -12.365 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.206 6.255 -12.849 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.584 5.432 -14.215 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.268 7.182 -14.291 1.00 0.00 H new ATOM 421 N ASP A 26 -1.758 9.068 -12.823 1.00 0.00 N ATOM 422 CA ASP A 26 -1.721 10.361 -12.136 1.00 0.00 C ATOM 423 C ASP A 26 -3.014 10.614 -11.363 1.00 0.00 C ATOM 424 O ASP A 26 -2.978 11.023 -10.200 1.00 0.00 O ATOM 425 CB ASP A 26 -1.491 11.497 -13.136 1.00 0.00 C ATOM 426 CG ASP A 26 -1.544 12.857 -12.420 1.00 0.00 C ATOM 427 OD1 ASP A 26 -0.597 13.187 -11.672 1.00 0.00 O ATOM 428 OD2 ASP A 26 -2.533 13.601 -12.602 1.00 0.00 O ATOM 0 H ASP A 26 -1.698 9.139 -13.839 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.892 10.332 -11.428 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.524 11.372 -13.623 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.249 11.461 -13.919 1.00 0.00 H new ATOM 433 N LYS A 27 -4.161 10.288 -11.963 1.00 0.00 N ATOM 434 CA LYS A 27 -5.480 10.363 -11.333 1.00 0.00 C ATOM 435 C LYS A 27 -5.566 9.510 -10.064 1.00 0.00 C ATOM 436 O LYS A 27 -6.423 9.768 -9.217 1.00 0.00 O ATOM 437 CB LYS A 27 -6.536 10.013 -12.405 1.00 0.00 C ATOM 438 CG LYS A 27 -7.993 9.882 -11.925 1.00 0.00 C ATOM 439 CD LYS A 27 -8.389 8.442 -11.537 1.00 0.00 C ATOM 440 CE LYS A 27 -8.510 7.472 -12.721 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.645 7.795 -13.620 1.00 0.00 N ATOM 0 H LYS A 27 -4.198 9.956 -12.927 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.676 11.374 -10.975 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.501 10.779 -13.180 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.246 9.072 -12.873 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.144 10.535 -11.066 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.659 10.233 -12.713 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.649 8.051 -10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.342 8.471 -11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.583 7.489 -13.294 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.631 6.457 -12.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.656 7.128 -14.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.538 7.719 -13.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.537 8.765 -13.981 1.00 0.00 H new ATOM 455 N ARG A 28 -4.705 8.505 -9.887 1.00 0.00 N ATOM 456 CA ARG A 28 -4.661 7.662 -8.688 1.00 0.00 C ATOM 457 C ARG A 28 -3.303 7.745 -7.978 1.00 0.00 C ATOM 458 O ARG A 28 -3.018 6.914 -7.118 1.00 0.00 O ATOM 459 CB ARG A 28 -5.105 6.229 -9.069 1.00 0.00 C ATOM 460 CG ARG A 28 -6.101 5.602 -8.077 1.00 0.00 C ATOM 461 CD ARG A 28 -7.578 5.976 -8.297 1.00 0.00 C ATOM 462 NE ARG A 28 -7.827 7.428 -8.215 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.948 8.048 -7.830 1.00 0.00 C ATOM 464 NH1 ARG A 28 -10.006 7.363 -7.405 1.00 0.00 N ATOM 465 NH2 ARG A 28 -8.983 9.374 -7.892 1.00 0.00 N ATOM 0 H ARG A 28 -4.006 8.249 -10.585 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.366 8.030 -7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.559 6.251 -10.060 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.223 5.591 -9.136 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.007 4.517 -8.131 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.816 5.897 -7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.896 5.614 -9.274 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.190 5.466 -7.553 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.050 8.032 -8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.973 6.344 -7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.851 7.856 -7.116 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.169 9.891 -8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.823 9.876 -7.605 1.00 0.00 H new ATOM 479 N LYS A 29 -2.492 8.765 -8.300 1.00 0.00 N ATOM 480 CA LYS A 29 -1.168 9.047 -7.738 1.00 0.00 C ATOM 481 C LYS A 29 -0.289 7.789 -7.656 1.00 0.00 C ATOM 482 O LYS A 29 0.462 7.599 -6.695 1.00 0.00 O ATOM 483 CB LYS A 29 -1.286 9.851 -6.421 1.00 0.00 C ATOM 484 CG LYS A 29 -1.701 11.320 -6.630 1.00 0.00 C ATOM 485 CD LYS A 29 -3.211 11.559 -6.821 1.00 0.00 C ATOM 486 CE LYS A 29 -3.532 13.004 -7.232 1.00 0.00 C ATOM 487 NZ LYS A 29 -2.975 13.356 -8.564 1.00 0.00 N ATOM 0 H LYS A 29 -2.762 9.454 -9.002 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.629 9.697 -8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.015 9.365 -5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.328 9.823 -5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.364 11.901 -5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.176 11.708 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.590 10.876 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.733 11.324 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.613 13.142 -7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.133 13.688 -6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.565 14.091 -9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.004 13.712 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.966 12.511 -9.171 1.00 0.00 H new ATOM 501 N LEU A 30 -0.375 6.927 -8.671 1.00 0.00 N ATOM 502 CA LEU A 30 0.583 5.847 -8.884 1.00 0.00 C ATOM 503 C LEU A 30 1.875 6.441 -9.456 1.00 0.00 C ATOM 504 O LEU A 30 1.868 7.562 -9.977 1.00 0.00 O ATOM 505 CB LEU A 30 0.002 4.806 -9.857 1.00 0.00 C ATOM 506 CG LEU A 30 -1.301 4.132 -9.398 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.667 3.039 -10.398 1.00 0.00 C ATOM 508 CD2 LEU A 30 -1.203 3.509 -8.004 1.00 0.00 C ATOM 0 H LEU A 30 -1.116 6.961 -9.371 1.00 0.00 H new ATOM 0 HA LEU A 30 0.794 5.350 -7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.178 5.291 -10.817 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.752 4.033 -10.026 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.064 4.909 -9.349 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.590 2.553 -10.084 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.807 3.481 -11.385 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.865 2.302 -10.441 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.157 3.051 -7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.422 2.749 -7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.961 4.283 -7.276 1.00 0.00 H new ATOM 520 N ALA A 31 2.970 5.680 -9.418 1.00 0.00 N ATOM 521 CA ALA A 31 4.249 6.058 -10.013 1.00 0.00 C ATOM 522 C ALA A 31 4.892 4.807 -10.606 1.00 0.00 C ATOM 523 O ALA A 31 4.952 3.783 -9.931 1.00 0.00 O ATOM 524 CB ALA A 31 5.150 6.673 -8.935 1.00 0.00 C ATOM 0 H ALA A 31 2.991 4.767 -8.964 1.00 0.00 H new ATOM 0 HA ALA A 31 4.104 6.797 -10.801 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.105 6.956 -9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.667 7.557 -8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.319 5.944 -8.142 1.00 0.00 H new ATOM 530 N GLY A 32 5.355 4.866 -11.854 1.00 0.00 N ATOM 531 CA GLY A 32 5.811 3.695 -12.591 1.00 0.00 C ATOM 532 C GLY A 32 6.117 4.025 -14.044 1.00 0.00 C ATOM 533 O GLY A 32 6.257 5.198 -14.394 1.00 0.00 O ATOM 0 H GLY A 32 5.423 5.735 -12.383 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.704 3.291 -12.114 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.047 2.918 -12.548 1.00 0.00 H new ATOM 537 N TRP A 33 6.186 3.011 -14.907 1.00 0.00 N ATOM 538 CA TRP A 33 6.419 3.198 -16.334 1.00 0.00 C ATOM 539 C TRP A 33 5.502 2.316 -17.185 1.00 0.00 C ATOM 540 O TRP A 33 4.917 1.347 -16.690 1.00 0.00 O ATOM 541 CB TRP A 33 7.902 2.971 -16.659 1.00 0.00 C ATOM 542 CG TRP A 33 8.470 1.640 -16.268 1.00 0.00 C ATOM 543 CD1 TRP A 33 8.482 0.526 -17.033 1.00 0.00 C ATOM 544 CD2 TRP A 33 9.138 1.274 -15.023 1.00 0.00 C ATOM 545 NE1 TRP A 33 9.127 -0.493 -16.360 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.573 -0.082 -15.123 1.00 0.00 C ATOM 547 CE3 TRP A 33 9.437 1.958 -13.824 1.00 0.00 C ATOM 548 CZ2 TRP A 33 10.301 -0.711 -14.100 1.00 0.00 C ATOM 549 CZ3 TRP A 33 10.150 1.330 -12.785 1.00 0.00 C ATOM 550 CH2 TRP A 33 10.591 0.003 -12.927 1.00 0.00 C ATOM 0 H TRP A 33 6.081 2.034 -14.632 1.00 0.00 H new ATOM 0 HA TRP A 33 6.169 4.228 -16.589 1.00 0.00 H new ATOM 0 HB2 TRP A 33 8.041 3.101 -17.732 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.484 3.750 -16.166 1.00 0.00 H new ATOM 0 HD1 TRP A 33 8.052 0.445 -18.021 1.00 0.00 H new ATOM 0 HE1 TRP A 33 9.257 -1.434 -16.733 1.00 0.00 H new ATOM 0 HE3 TRP A 33 9.113 2.981 -13.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 10.634 -1.732 -14.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 10.359 1.871 -11.874 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.153 -0.467 -12.134 1.00 0.00 H new ATOM 561 N VAL A 34 5.393 2.649 -18.477 1.00 0.00 N ATOM 562 CA VAL A 34 4.664 1.856 -19.470 1.00 0.00 C ATOM 563 C VAL A 34 5.516 1.699 -20.733 1.00 0.00 C ATOM 564 O VAL A 34 6.240 2.615 -21.135 1.00 0.00 O ATOM 565 CB VAL A 34 3.263 2.460 -19.706 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.313 3.878 -20.278 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.406 1.575 -20.619 1.00 0.00 C ATOM 0 H VAL A 34 5.816 3.491 -18.866 1.00 0.00 H new ATOM 0 HA VAL A 34 4.486 0.845 -19.105 1.00 0.00 H new ATOM 0 HB VAL A 34 2.802 2.510 -18.719 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.298 4.248 -20.422 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.843 4.531 -19.585 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.834 3.866 -21.235 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.428 2.036 -20.759 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.898 1.466 -21.586 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.282 0.593 -20.162 1.00 0.00 H new ATOM 577 N LYS A 35 5.445 0.519 -21.351 1.00 0.00 N ATOM 578 CA LYS A 35 6.404 0.022 -22.333 1.00 0.00 C ATOM 579 C LYS A 35 5.660 -0.881 -23.313 1.00 0.00 C ATOM 580 O LYS A 35 4.688 -1.527 -22.925 1.00 0.00 O ATOM 581 CB LYS A 35 7.449 -0.776 -21.537 1.00 0.00 C ATOM 582 CG LYS A 35 8.564 -1.428 -22.370 1.00 0.00 C ATOM 583 CD LYS A 35 9.491 -2.313 -21.520 1.00 0.00 C ATOM 584 CE LYS A 35 8.712 -3.492 -20.909 1.00 0.00 C ATOM 585 NZ LYS A 35 9.550 -4.404 -20.097 1.00 0.00 N ATOM 0 H LYS A 35 4.688 -0.141 -21.173 1.00 0.00 H new ATOM 0 HA LYS A 35 6.885 0.819 -22.900 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.908 -0.110 -20.806 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.934 -1.557 -20.978 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.118 -2.030 -23.162 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.154 -0.650 -22.855 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.307 -2.691 -22.137 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.941 -1.718 -20.725 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.908 -3.100 -20.286 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.244 -4.062 -21.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.938 -5.048 -19.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.168 -4.958 -20.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.133 -3.847 -19.440 1.00 0.00 H new ATOM 599 N ASN A 36 6.124 -0.992 -24.558 1.00 0.00 N ATOM 600 CA ASN A 36 5.643 -2.054 -25.446 1.00 0.00 C ATOM 601 C ASN A 36 6.525 -3.275 -25.211 1.00 0.00 C ATOM 602 O ASN A 36 7.740 -3.187 -25.395 1.00 0.00 O ATOM 603 CB ASN A 36 5.660 -1.639 -26.925 1.00 0.00 C ATOM 604 CG ASN A 36 4.518 -2.328 -27.665 1.00 0.00 C ATOM 605 OD1 ASN A 36 3.557 -1.670 -28.050 1.00 0.00 O ATOM 606 ND2 ASN A 36 4.527 -3.639 -27.824 1.00 0.00 N ATOM 0 H ASN A 36 6.821 -0.372 -24.971 1.00 0.00 H new ATOM 0 HA ASN A 36 4.601 -2.274 -25.216 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.561 -0.557 -27.010 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.614 -1.908 -27.377 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.735 -4.104 -28.267 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.326 -4.186 -27.504 1.00 0.00 H new ATOM 613 N ARG A 37 5.949 -4.402 -24.789 1.00 0.00 N ATOM 614 CA ARG A 37 6.710 -5.630 -24.583 1.00 0.00 C ATOM 615 C ARG A 37 7.041 -6.209 -25.959 1.00 0.00 C ATOM 616 O ARG A 37 6.303 -5.978 -26.923 1.00 0.00 O ATOM 617 CB ARG A 37 5.883 -6.578 -23.689 1.00 0.00 C ATOM 618 CG ARG A 37 6.666 -7.791 -23.163 1.00 0.00 C ATOM 619 CD ARG A 37 5.871 -8.512 -22.065 1.00 0.00 C ATOM 620 NE ARG A 37 6.454 -9.827 -21.743 1.00 0.00 N ATOM 621 CZ ARG A 37 6.422 -10.456 -20.559 1.00 0.00 C ATOM 622 NH1 ARG A 37 5.991 -9.856 -19.452 1.00 0.00 N ATOM 623 NH2 ARG A 37 6.831 -11.719 -20.488 1.00 0.00 N ATOM 0 H ARG A 37 4.954 -4.487 -24.583 1.00 0.00 H new ATOM 0 HA ARG A 37 7.654 -5.460 -24.065 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.496 -6.014 -22.840 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.022 -6.933 -24.255 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.873 -8.480 -23.982 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.629 -7.466 -22.769 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.848 -7.894 -21.167 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.838 -8.641 -22.389 1.00 0.00 H new ATOM 0 HE ARG A 37 6.933 -10.311 -22.502 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.672 -8.888 -19.488 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.980 -10.364 -18.568 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.163 -12.195 -21.327 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.813 -12.211 -19.595 1.00 0.00 H new ATOM 637 N ASP A 38 8.136 -6.967 -26.049 1.00 0.00 N ATOM 638 CA ASP A 38 8.638 -7.534 -27.307 1.00 0.00 C ATOM 639 C ASP A 38 7.637 -8.501 -27.951 1.00 0.00 C ATOM 640 O ASP A 38 7.621 -8.663 -29.170 1.00 0.00 O ATOM 641 CB ASP A 38 9.967 -8.252 -27.051 1.00 0.00 C ATOM 642 CG ASP A 38 10.528 -8.887 -28.335 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.001 -8.145 -29.225 1.00 0.00 O ATOM 644 OD2 ASP A 38 10.541 -10.134 -28.442 1.00 0.00 O ATOM 0 H ASP A 38 8.708 -7.209 -25.240 1.00 0.00 H new ATOM 0 HA ASP A 38 8.785 -6.710 -28.005 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.691 -7.544 -26.649 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.823 -9.025 -26.296 1.00 0.00 H new ATOM 649 N ASP A 39 6.763 -9.105 -27.136 1.00 0.00 N ATOM 650 CA ASP A 39 5.672 -9.972 -27.589 1.00 0.00 C ATOM 651 C ASP A 39 4.688 -9.231 -28.508 1.00 0.00 C ATOM 652 O ASP A 39 4.067 -9.852 -29.373 1.00 0.00 O ATOM 653 CB ASP A 39 4.925 -10.511 -26.363 1.00 0.00 C ATOM 654 CG ASP A 39 3.679 -11.318 -26.766 1.00 0.00 C ATOM 655 OD1 ASP A 39 3.818 -12.502 -27.148 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.557 -10.775 -26.666 1.00 0.00 O ATOM 0 H ASP A 39 6.797 -9.001 -26.122 1.00 0.00 H new ATOM 0 HA ASP A 39 6.105 -10.789 -28.166 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.594 -11.142 -25.778 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.629 -9.680 -25.723 1.00 0.00 H new ATOM 661 N GLY A 40 4.564 -7.910 -28.345 1.00 0.00 N ATOM 662 CA GLY A 40 3.685 -7.044 -29.121 1.00 0.00 C ATOM 663 C GLY A 40 2.645 -6.376 -28.224 1.00 0.00 C ATOM 664 O GLY A 40 2.262 -5.232 -28.478 1.00 0.00 O ATOM 0 H GLY A 40 5.096 -7.399 -27.640 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.276 -6.282 -29.629 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.184 -7.627 -29.894 1.00 0.00 H new ATOM 668 N ARG A 41 2.220 -7.054 -27.152 1.00 0.00 N ATOM 669 CA ARG A 41 1.344 -6.475 -26.134 1.00 0.00 C ATOM 670 C ARG A 41 2.084 -5.390 -25.341 1.00 0.00 C ATOM 671 O ARG A 41 3.313 -5.316 -25.380 1.00 0.00 O ATOM 672 CB ARG A 41 0.742 -7.605 -25.279 1.00 0.00 C ATOM 673 CG ARG A 41 1.663 -8.274 -24.248 1.00 0.00 C ATOM 674 CD ARG A 41 0.983 -9.525 -23.668 1.00 0.00 C ATOM 675 NE ARG A 41 -0.215 -9.184 -22.871 1.00 0.00 N ATOM 676 CZ ARG A 41 -1.381 -9.846 -22.838 1.00 0.00 C ATOM 677 NH1 ARG A 41 -1.656 -10.831 -23.683 1.00 0.00 N ATOM 678 NH2 ARG A 41 -2.311 -9.536 -21.945 1.00 0.00 N ATOM 0 H ARG A 41 2.477 -8.024 -26.968 1.00 0.00 H new ATOM 0 HA ARG A 41 0.501 -5.959 -26.593 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.122 -7.204 -24.749 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.372 -8.378 -25.953 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.608 -8.548 -24.717 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.896 -7.572 -23.447 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.700 -10.194 -24.481 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.693 -10.067 -23.043 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.147 -8.354 -22.282 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.970 -11.106 -24.386 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.553 -11.313 -23.630 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.144 -8.787 -21.273 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.194 -10.047 -21.930 1.00 0.00 H new ATOM 692 N VAL A 42 1.362 -4.542 -24.615 1.00 0.00 N ATOM 693 CA VAL A 42 1.943 -3.480 -23.799 1.00 0.00 C ATOM 694 C VAL A 42 2.078 -4.001 -22.370 1.00 0.00 C ATOM 695 O VAL A 42 1.376 -4.929 -21.969 1.00 0.00 O ATOM 696 CB VAL A 42 1.090 -2.201 -23.970 1.00 0.00 C ATOM 697 CG1 VAL A 42 1.249 -1.127 -22.881 1.00 0.00 C ATOM 698 CG2 VAL A 42 1.476 -1.561 -25.313 1.00 0.00 C ATOM 0 H VAL A 42 0.343 -4.573 -24.576 1.00 0.00 H new ATOM 0 HA VAL A 42 2.949 -3.198 -24.110 1.00 0.00 H new ATOM 0 HB VAL A 42 0.053 -2.531 -23.907 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.603 -0.279 -23.109 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.971 -1.546 -21.914 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.286 -0.793 -22.848 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.891 -0.654 -25.465 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.537 -1.312 -25.306 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.274 -2.263 -26.122 1.00 0.00 H new ATOM 708 N GLU A 43 2.991 -3.406 -21.608 1.00 0.00 N ATOM 709 CA GLU A 43 3.313 -3.763 -20.239 1.00 0.00 C ATOM 710 C GLU A 43 3.386 -2.474 -19.423 1.00 0.00 C ATOM 711 O GLU A 43 3.876 -1.452 -19.909 1.00 0.00 O ATOM 712 CB GLU A 43 4.635 -4.546 -20.231 1.00 0.00 C ATOM 713 CG GLU A 43 5.076 -4.972 -18.824 1.00 0.00 C ATOM 714 CD GLU A 43 6.169 -6.040 -18.883 1.00 0.00 C ATOM 715 OE1 GLU A 43 7.365 -5.723 -19.059 1.00 0.00 O ATOM 716 OE2 GLU A 43 5.852 -7.232 -18.692 1.00 0.00 O ATOM 0 H GLU A 43 3.551 -2.625 -21.949 1.00 0.00 H new ATOM 0 HA GLU A 43 2.554 -4.405 -19.792 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.528 -5.433 -20.856 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.416 -3.932 -20.680 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.443 -4.103 -18.277 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.218 -5.357 -18.273 1.00 0.00 H new ATOM 723 N ILE A 44 2.896 -2.522 -18.187 1.00 0.00 N ATOM 724 CA ILE A 44 2.770 -1.402 -17.272 1.00 0.00 C ATOM 725 C ILE A 44 3.303 -1.912 -15.933 1.00 0.00 C ATOM 726 O ILE A 44 3.037 -3.059 -15.563 1.00 0.00 O ATOM 727 CB ILE A 44 1.287 -0.968 -17.121 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.383 -1.192 -18.363 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.238 0.497 -16.654 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.084 -0.797 -18.145 1.00 0.00 C ATOM 0 H ILE A 44 2.559 -3.394 -17.779 1.00 0.00 H new ATOM 0 HA ILE A 44 3.318 -0.532 -17.633 1.00 0.00 H new ATOM 0 HB ILE A 44 0.857 -1.634 -16.373 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.783 -0.618 -19.199 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.427 -2.243 -18.647 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.199 0.810 -16.545 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.747 0.590 -15.695 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.733 1.130 -17.390 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.650 -0.983 -19.058 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.503 -1.389 -17.331 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.142 0.262 -17.891 1.00 0.00 H new ATOM 742 N LEU A 45 4.031 -1.087 -15.186 1.00 0.00 N ATOM 743 CA LEU A 45 4.612 -1.486 -13.909 1.00 0.00 C ATOM 744 C LEU A 45 4.682 -0.236 -13.043 1.00 0.00 C ATOM 745 O LEU A 45 5.327 0.729 -13.451 1.00 0.00 O ATOM 746 CB LEU A 45 5.988 -2.114 -14.197 1.00 0.00 C ATOM 747 CG LEU A 45 6.703 -2.722 -12.978 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.865 -3.592 -13.478 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.244 -1.656 -12.021 1.00 0.00 C ATOM 0 H LEU A 45 4.235 -0.123 -15.449 1.00 0.00 H new ATOM 0 HA LEU A 45 4.024 -2.231 -13.373 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.863 -2.893 -14.949 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.633 -1.351 -14.632 1.00 0.00 H new ATOM 0 HG LEU A 45 5.975 -3.313 -12.422 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.383 -4.031 -12.626 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.477 -4.386 -14.115 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.561 -2.977 -14.048 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.739 -2.140 -11.179 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.959 -1.024 -12.547 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.420 -1.044 -11.654 1.00 0.00 H new ATOM 761 N ALA A 46 4.007 -0.222 -11.888 1.00 0.00 N ATOM 762 CA ALA A 46 3.928 0.946 -11.015 1.00 0.00 C ATOM 763 C ALA A 46 3.702 0.536 -9.565 1.00 0.00 C ATOM 764 O ALA A 46 3.202 -0.557 -9.298 1.00 0.00 O ATOM 765 CB ALA A 46 2.765 1.848 -11.452 1.00 0.00 C ATOM 0 H ALA A 46 3.497 -1.031 -11.533 1.00 0.00 H new ATOM 0 HA ALA A 46 4.875 1.481 -11.092 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.712 2.717 -10.796 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.926 2.177 -12.479 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.830 1.291 -11.392 1.00 0.00 H new ATOM 771 N GLU A 47 4.014 1.444 -8.641 1.00 0.00 N ATOM 772 CA GLU A 47 3.788 1.297 -7.212 1.00 0.00 C ATOM 773 C GLU A 47 2.623 2.190 -6.762 1.00 0.00 C ATOM 774 O GLU A 47 2.337 3.212 -7.398 1.00 0.00 O ATOM 775 CB GLU A 47 5.077 1.567 -6.429 1.00 0.00 C ATOM 776 CG GLU A 47 5.569 3.018 -6.468 1.00 0.00 C ATOM 777 CD GLU A 47 6.897 3.140 -5.714 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.897 2.585 -6.218 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.934 3.757 -4.625 1.00 0.00 O ATOM 0 H GLU A 47 4.448 2.335 -8.881 1.00 0.00 H new ATOM 0 HA GLU A 47 3.503 0.267 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.919 1.281 -5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.864 0.922 -6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.697 3.340 -7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.824 3.676 -6.019 1.00 0.00 H new ATOM 786 N GLY A 48 1.964 1.816 -5.660 1.00 0.00 N ATOM 787 CA GLY A 48 0.865 2.555 -5.050 1.00 0.00 C ATOM 788 C GLY A 48 0.149 1.704 -3.997 1.00 0.00 C ATOM 789 O GLY A 48 0.503 0.537 -3.811 1.00 0.00 O ATOM 0 H GLY A 48 2.193 0.960 -5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.246 3.466 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.156 2.860 -5.820 1.00 0.00 H new ATOM 793 N PRO A 49 -0.834 2.256 -3.270 1.00 0.00 N ATOM 794 CA PRO A 49 -1.637 1.479 -2.336 1.00 0.00 C ATOM 795 C PRO A 49 -2.555 0.517 -3.098 1.00 0.00 C ATOM 796 O PRO A 49 -2.942 0.788 -4.235 1.00 0.00 O ATOM 797 CB PRO A 49 -2.399 2.508 -1.495 1.00 0.00 C ATOM 798 CG PRO A 49 -2.505 3.725 -2.412 1.00 0.00 C ATOM 799 CD PRO A 49 -1.254 3.647 -3.291 1.00 0.00 C ATOM 0 HA PRO A 49 -1.036 0.842 -1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.383 2.138 -1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.865 2.746 -0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.415 3.693 -3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.532 4.653 -1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.471 3.973 -4.308 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.468 4.298 -2.909 1.00 0.00 H new ATOM 807 N GLU A 50 -2.932 -0.598 -2.464 1.00 0.00 N ATOM 808 CA GLU A 50 -3.669 -1.687 -3.107 1.00 0.00 C ATOM 809 C GLU A 50 -4.962 -1.184 -3.757 1.00 0.00 C ATOM 810 O GLU A 50 -5.254 -1.539 -4.899 1.00 0.00 O ATOM 811 CB GLU A 50 -3.951 -2.784 -2.064 1.00 0.00 C ATOM 812 CG GLU A 50 -4.617 -4.028 -2.669 1.00 0.00 C ATOM 813 CD GLU A 50 -4.894 -5.097 -1.595 1.00 0.00 C ATOM 814 OE1 GLU A 50 -5.924 -5.002 -0.888 1.00 0.00 O ATOM 815 OE2 GLU A 50 -4.101 -6.055 -1.457 1.00 0.00 O ATOM 0 H GLU A 50 -2.731 -0.770 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.062 -2.104 -3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.015 -3.075 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.593 -2.378 -1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.552 -3.744 -3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.974 -4.446 -3.443 1.00 0.00 H new ATOM 822 N ASN A 51 -5.710 -0.316 -3.066 1.00 0.00 N ATOM 823 CA ASN A 51 -6.959 0.231 -3.597 1.00 0.00 C ATOM 824 C ASN A 51 -6.716 1.054 -4.861 1.00 0.00 C ATOM 825 O ASN A 51 -7.492 0.961 -5.812 1.00 0.00 O ATOM 826 CB ASN A 51 -7.660 1.100 -2.544 1.00 0.00 C ATOM 827 CG ASN A 51 -8.942 1.700 -3.117 1.00 0.00 C ATOM 828 OD1 ASN A 51 -9.917 0.992 -3.356 1.00 0.00 O ATOM 829 ND2 ASN A 51 -8.976 3.001 -3.356 1.00 0.00 N ATOM 0 H ASN A 51 -5.469 0.022 -2.134 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.600 -0.612 -3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.893 0.500 -1.665 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.992 1.897 -2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -9.818 3.427 -3.743 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.160 3.578 -3.153 1.00 0.00 H new ATOM 836 N ALA A 52 -5.642 1.849 -4.893 1.00 0.00 N ATOM 837 CA ALA A 52 -5.308 2.662 -6.055 1.00 0.00 C ATOM 838 C ALA A 52 -4.903 1.767 -7.223 1.00 0.00 C ATOM 839 O ALA A 52 -5.381 1.959 -8.340 1.00 0.00 O ATOM 840 CB ALA A 52 -4.176 3.634 -5.710 1.00 0.00 C ATOM 0 H ALA A 52 -4.987 1.943 -4.117 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.186 3.239 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.934 4.237 -6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.492 4.287 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.295 3.071 -5.402 1.00 0.00 H new ATOM 846 N LEU A 53 -4.053 0.771 -6.955 1.00 0.00 N ATOM 847 CA LEU A 53 -3.586 -0.179 -7.958 1.00 0.00 C ATOM 848 C LEU A 53 -4.774 -0.920 -8.570 1.00 0.00 C ATOM 849 O LEU A 53 -4.868 -1.039 -9.788 1.00 0.00 O ATOM 850 CB LEU A 53 -2.586 -1.164 -7.325 1.00 0.00 C ATOM 851 CG LEU A 53 -1.246 -0.543 -6.879 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.477 -1.576 -6.057 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.340 -0.092 -8.027 1.00 0.00 C ATOM 0 H LEU A 53 -3.669 0.604 -6.025 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.075 0.361 -8.755 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.058 -1.630 -6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.379 -1.958 -8.042 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.504 0.349 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.473 -1.150 -5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.065 -1.856 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.290 -2.460 -6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.579 0.332 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.097 -0.948 -8.657 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.855 0.662 -8.622 1.00 0.00 H new ATOM 865 N GLN A 54 -5.715 -1.377 -7.743 1.00 0.00 N ATOM 866 CA GLN A 54 -6.898 -2.086 -8.209 1.00 0.00 C ATOM 867 C GLN A 54 -7.850 -1.167 -8.978 1.00 0.00 C ATOM 868 O GLN A 54 -8.371 -1.572 -10.016 1.00 0.00 O ATOM 869 CB GLN A 54 -7.604 -2.767 -7.025 1.00 0.00 C ATOM 870 CG GLN A 54 -6.861 -4.031 -6.563 1.00 0.00 C ATOM 871 CD GLN A 54 -6.930 -5.147 -7.612 1.00 0.00 C ATOM 872 OE1 GLN A 54 -8.008 -5.607 -7.983 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.804 -5.601 -8.135 1.00 0.00 N ATOM 0 H GLN A 54 -5.674 -1.264 -6.730 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.577 -2.856 -8.911 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.678 -2.065 -6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.622 -3.029 -7.312 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.818 -3.786 -6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.293 -4.385 -5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.909 -5.220 -7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.830 -6.332 -8.846 1.00 0.00 H new ATOM 882 N SER A 55 -8.048 0.070 -8.523 1.00 0.00 N ATOM 883 CA SER A 55 -8.885 1.040 -9.232 1.00 0.00 C ATOM 884 C SER A 55 -8.313 1.306 -10.630 1.00 0.00 C ATOM 885 O SER A 55 -9.049 1.325 -11.619 1.00 0.00 O ATOM 886 CB SER A 55 -8.988 2.342 -8.427 1.00 0.00 C ATOM 887 OG SER A 55 -9.526 2.109 -7.138 1.00 0.00 O ATOM 0 H SER A 55 -7.637 0.427 -7.660 1.00 0.00 H new ATOM 0 HA SER A 55 -9.888 0.629 -9.343 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.000 2.794 -8.335 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.616 3.054 -8.962 1.00 0.00 H new ATOM 0 HG SER A 55 -8.812 1.819 -6.533 1.00 0.00 H new ATOM 893 N PHE A 56 -6.989 1.452 -10.725 1.00 0.00 N ATOM 894 CA PHE A 56 -6.284 1.562 -11.984 1.00 0.00 C ATOM 895 C PHE A 56 -6.521 0.315 -12.840 1.00 0.00 C ATOM 896 O PHE A 56 -6.894 0.466 -13.997 1.00 0.00 O ATOM 897 CB PHE A 56 -4.800 1.813 -11.705 1.00 0.00 C ATOM 898 CG PHE A 56 -3.930 1.824 -12.941 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.496 0.609 -13.507 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.537 3.047 -13.515 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.699 0.617 -14.662 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.708 3.045 -14.644 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.305 1.836 -15.232 1.00 0.00 C ATOM 0 H PHE A 56 -6.376 1.497 -9.911 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.665 2.407 -12.558 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.695 2.769 -11.192 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.435 1.044 -11.024 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.777 -0.329 -13.052 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.872 3.981 -13.088 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.389 -0.315 -15.111 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.376 3.982 -15.066 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.693 1.845 -16.122 1.00 0.00 H new ATOM 913 N VAL A 57 -6.363 -0.902 -12.306 1.00 0.00 N ATOM 914 CA VAL A 57 -6.589 -2.128 -13.076 1.00 0.00 C ATOM 915 C VAL A 57 -8.005 -2.123 -13.667 1.00 0.00 C ATOM 916 O VAL A 57 -8.161 -2.439 -14.847 1.00 0.00 O ATOM 917 CB VAL A 57 -6.311 -3.373 -12.197 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.830 -4.687 -12.804 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.807 -3.556 -11.946 1.00 0.00 C ATOM 0 H VAL A 57 -6.078 -1.063 -11.340 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.892 -2.171 -13.913 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.848 -3.175 -11.269 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.599 -5.514 -12.133 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.909 -4.623 -12.942 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.350 -4.857 -13.768 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.646 -4.438 -11.326 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.292 -3.683 -12.898 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.414 -2.677 -11.435 1.00 0.00 H new ATOM 929 N GLU A 58 -9.024 -1.717 -12.900 1.00 0.00 N ATOM 930 CA GLU A 58 -10.392 -1.638 -13.402 1.00 0.00 C ATOM 931 C GLU A 58 -10.496 -0.612 -14.533 1.00 0.00 C ATOM 932 O GLU A 58 -11.131 -0.883 -15.553 1.00 0.00 O ATOM 933 CB GLU A 58 -11.369 -1.296 -12.264 1.00 0.00 C ATOM 934 CG GLU A 58 -11.531 -2.421 -11.232 1.00 0.00 C ATOM 935 CD GLU A 58 -12.268 -3.645 -11.807 1.00 0.00 C ATOM 936 OE1 GLU A 58 -13.520 -3.648 -11.829 1.00 0.00 O ATOM 937 OE2 GLU A 58 -11.606 -4.622 -12.221 1.00 0.00 O ATOM 0 H GLU A 58 -8.921 -1.438 -11.924 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.665 -2.614 -13.803 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.021 -0.396 -11.756 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.344 -1.064 -12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.548 -2.727 -10.875 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.079 -2.043 -10.369 1.00 0.00 H new ATOM 944 N ALA A 59 -9.838 0.539 -14.382 1.00 0.00 N ATOM 945 CA ALA A 59 -9.798 1.586 -15.396 1.00 0.00 C ATOM 946 C ALA A 59 -9.170 1.077 -16.701 1.00 0.00 C ATOM 947 O ALA A 59 -9.717 1.336 -17.776 1.00 0.00 O ATOM 948 CB ALA A 59 -9.052 2.809 -14.846 1.00 0.00 C ATOM 0 H ALA A 59 -9.312 0.770 -13.539 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.819 1.883 -15.636 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.024 3.590 -15.606 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.568 3.182 -13.961 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.034 2.525 -14.580 1.00 0.00 H new ATOM 954 N VAL A 60 -8.061 0.328 -16.630 1.00 0.00 N ATOM 955 CA VAL A 60 -7.448 -0.264 -17.818 1.00 0.00 C ATOM 956 C VAL A 60 -8.408 -1.295 -18.418 1.00 0.00 C ATOM 957 O VAL A 60 -8.727 -1.211 -19.604 1.00 0.00 O ATOM 958 CB VAL A 60 -6.069 -0.898 -17.517 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.394 -1.343 -18.821 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.090 0.056 -16.824 1.00 0.00 C ATOM 0 H VAL A 60 -7.573 0.120 -15.759 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.266 0.532 -18.540 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.280 -1.734 -16.850 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.425 -1.787 -18.596 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.022 -2.078 -19.323 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.255 -0.480 -19.472 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.146 -0.458 -16.645 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.916 0.924 -17.460 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.511 0.382 -15.873 1.00 0.00 H new ATOM 970 N LYS A 61 -8.899 -2.242 -17.609 1.00 0.00 N ATOM 971 CA LYS A 61 -9.741 -3.348 -18.067 1.00 0.00 C ATOM 972 C LYS A 61 -10.986 -2.829 -18.785 1.00 0.00 C ATOM 973 O LYS A 61 -11.367 -3.375 -19.819 1.00 0.00 O ATOM 974 CB LYS A 61 -10.096 -4.237 -16.862 1.00 0.00 C ATOM 975 CG LYS A 61 -10.916 -5.476 -17.253 1.00 0.00 C ATOM 976 CD LYS A 61 -11.135 -6.390 -16.037 1.00 0.00 C ATOM 977 CE LYS A 61 -12.082 -7.565 -16.336 1.00 0.00 C ATOM 978 NZ LYS A 61 -11.514 -8.552 -17.290 1.00 0.00 N ATOM 0 H LYS A 61 -8.719 -2.260 -16.605 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.195 -3.949 -18.794 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.177 -4.556 -16.370 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.659 -3.649 -16.137 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.879 -5.167 -17.660 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.400 -6.026 -18.039 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.173 -6.780 -15.704 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.542 -5.802 -15.215 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.326 -8.072 -15.402 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.016 -7.175 -16.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.201 -9.317 -17.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.306 -8.081 -18.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.637 -8.950 -16.897 1.00 0.00 H new ATOM 992 N ASN A 62 -11.609 -1.775 -18.255 1.00 0.00 N ATOM 993 CA ASN A 62 -12.802 -1.183 -18.849 1.00 0.00 C ATOM 994 C ASN A 62 -12.489 -0.401 -20.132 1.00 0.00 C ATOM 995 O ASN A 62 -13.394 -0.190 -20.938 1.00 0.00 O ATOM 996 CB ASN A 62 -13.491 -0.272 -17.825 1.00 0.00 C ATOM 997 CG ASN A 62 -14.855 0.193 -18.326 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.744 -0.614 -18.588 1.00 0.00 O ATOM 999 ND2 ASN A 62 -15.064 1.492 -18.450 1.00 0.00 N ATOM 0 H ASN A 62 -11.298 -1.310 -17.402 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.471 -1.997 -19.128 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.610 -0.806 -16.882 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.861 0.594 -17.623 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.971 1.835 -18.766 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.318 2.152 -18.229 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.233 0.026 -20.340 1.00 0.00 N ATOM 1007 CA GLY A 63 -10.818 0.855 -21.471 1.00 0.00 C ATOM 1008 C GLY A 63 -11.696 2.100 -21.619 1.00 0.00 C ATOM 1009 O GLY A 63 -12.110 2.425 -22.734 1.00 0.00 O ATOM 0 H GLY A 63 -10.465 -0.203 -19.710 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.779 1.157 -21.338 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.864 0.267 -22.388 1.00 0.00 H new ATOM 1013 N SER A 64 -12.050 2.725 -20.490 1.00 0.00 N ATOM 1014 CA SER A 64 -13.206 3.602 -20.344 1.00 0.00 C ATOM 1015 C SER A 64 -13.403 4.639 -21.467 1.00 0.00 C ATOM 1016 O SER A 64 -14.498 4.655 -22.037 1.00 0.00 O ATOM 1017 CB SER A 64 -13.178 4.239 -18.946 1.00 0.00 C ATOM 1018 OG SER A 64 -12.877 3.256 -17.965 1.00 0.00 O ATOM 0 H SER A 64 -11.517 2.627 -19.626 1.00 0.00 H new ATOM 0 HA SER A 64 -14.090 2.973 -20.449 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.433 5.034 -18.915 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.142 4.698 -18.728 1.00 0.00 H new ATOM 0 HG SER A 64 -12.860 3.673 -17.078 1.00 0.00 H new ATOM 1024 N PRO A 65 -12.419 5.488 -21.821 1.00 0.00 N ATOM 1025 CA PRO A 65 -12.627 6.505 -22.844 1.00 0.00 C ATOM 1026 C PRO A 65 -12.719 5.901 -24.253 1.00 0.00 C ATOM 1027 O PRO A 65 -13.660 6.230 -24.982 1.00 0.00 O ATOM 1028 CB PRO A 65 -11.459 7.486 -22.692 1.00 0.00 C ATOM 1029 CG PRO A 65 -10.352 6.645 -22.063 1.00 0.00 C ATOM 1030 CD PRO A 65 -11.132 5.683 -21.167 1.00 0.00 C ATOM 0 HA PRO A 65 -13.581 7.015 -22.713 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.152 7.894 -23.655 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.727 8.331 -22.058 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.768 6.115 -22.816 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.654 7.256 -21.491 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -10.603 4.737 -21.055 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.260 6.097 -20.167 1.00 0.00 H new ATOM 1038 N PHE A 66 -11.774 5.038 -24.649 1.00 0.00 N ATOM 1039 CA PHE A 66 -11.688 4.478 -26.006 1.00 0.00 C ATOM 1040 C PHE A 66 -10.707 3.295 -26.100 1.00 0.00 C ATOM 1041 O PHE A 66 -10.398 2.846 -27.204 1.00 0.00 O ATOM 1042 CB PHE A 66 -11.257 5.587 -26.999 1.00 0.00 C ATOM 1043 CG PHE A 66 -9.994 6.365 -26.639 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -8.714 5.795 -26.799 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -10.100 7.683 -26.151 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -7.562 6.517 -26.446 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -8.947 8.407 -25.799 1.00 0.00 C ATOM 1048 CZ PHE A 66 -7.677 7.824 -25.942 1.00 0.00 C ATOM 0 H PHE A 66 -11.037 4.704 -24.028 1.00 0.00 H new ATOM 0 HA PHE A 66 -12.678 4.099 -26.261 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -11.110 5.131 -27.978 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -12.079 6.296 -27.097 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.619 4.795 -27.196 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -11.073 8.140 -26.047 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.587 6.067 -26.562 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.038 9.413 -25.418 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.792 8.378 -25.666 1.00 0.00 H new ATOM 1058 N SER A 67 -10.119 2.865 -24.983 1.00 0.00 N ATOM 1059 CA SER A 67 -8.669 2.894 -24.917 1.00 0.00 C ATOM 1060 C SER A 67 -7.897 2.018 -25.925 1.00 0.00 C ATOM 1061 O SER A 67 -7.096 2.599 -26.652 1.00 0.00 O ATOM 1062 CB SER A 67 -8.196 2.769 -23.475 1.00 0.00 C ATOM 1063 OG SER A 67 -9.084 3.473 -22.623 1.00 0.00 O ATOM 0 H SER A 67 -10.599 2.511 -24.155 1.00 0.00 H new ATOM 0 HA SER A 67 -8.392 3.883 -25.283 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.153 1.719 -23.185 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.187 3.169 -23.376 1.00 0.00 H new ATOM 0 HG SER A 67 -8.641 3.656 -21.768 1.00 0.00 H new ATOM 1069 N LYS A 68 -8.048 0.690 -26.048 1.00 0.00 N ATOM 1070 CA LYS A 68 -8.847 -0.253 -25.253 1.00 0.00 C ATOM 1071 C LYS A 68 -8.118 -1.600 -25.219 1.00 0.00 C ATOM 1072 O LYS A 68 -7.282 -1.875 -26.082 1.00 0.00 O ATOM 1073 CB LYS A 68 -10.292 -0.408 -25.787 1.00 0.00 C ATOM 1074 CG LYS A 68 -10.506 -0.555 -27.305 1.00 0.00 C ATOM 1075 CD LYS A 68 -10.085 -1.913 -27.888 1.00 0.00 C ATOM 1076 CE LYS A 68 -10.541 -2.093 -29.347 1.00 0.00 C ATOM 1077 NZ LYS A 68 -12.014 -2.241 -29.487 1.00 0.00 N ATOM 0 H LYS A 68 -7.556 0.196 -26.793 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.948 0.142 -24.242 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.731 -1.282 -25.305 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.862 0.460 -25.455 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.561 -0.392 -27.526 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.948 0.231 -27.814 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.000 -2.007 -27.835 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.505 -2.713 -27.278 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.211 -1.235 -29.932 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.053 -2.972 -29.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.246 -2.493 -30.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.350 -2.990 -28.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.478 -1.343 -29.241 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.467 -2.462 -24.266 1.00 0.00 N ATOM 1092 CA VAL A 69 -7.902 -3.804 -24.152 1.00 0.00 C ATOM 1093 C VAL A 69 -8.952 -4.835 -24.571 1.00 0.00 C ATOM 1094 O VAL A 69 -10.156 -4.573 -24.499 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.349 -4.063 -22.734 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.287 -3.021 -22.362 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.417 -4.081 -21.631 1.00 0.00 C ATOM 0 H VAL A 69 -9.156 -2.246 -23.545 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.051 -3.896 -24.827 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.917 -5.062 -22.785 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.913 -3.225 -21.359 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.463 -3.071 -23.074 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.729 -2.025 -22.389 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.942 -4.269 -20.668 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.927 -3.118 -21.602 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.141 -4.869 -21.839 1.00 0.00 H new ATOM 1107 N THR A 70 -8.491 -6.015 -24.972 1.00 0.00 N ATOM 1108 CA THR A 70 -9.309 -7.194 -25.229 1.00 0.00 C ATOM 1109 C THR A 70 -8.770 -8.403 -24.441 1.00 0.00 C ATOM 1110 O THR A 70 -9.474 -9.405 -24.307 1.00 0.00 O ATOM 1111 CB THR A 70 -9.391 -7.453 -26.749 1.00 0.00 C ATOM 1112 OG1 THR A 70 -8.106 -7.445 -27.347 1.00 0.00 O ATOM 1113 CG2 THR A 70 -10.222 -6.380 -27.462 1.00 0.00 C ATOM 0 H THR A 70 -7.498 -6.182 -25.133 1.00 0.00 H new ATOM 0 HA THR A 70 -10.326 -7.023 -24.877 1.00 0.00 H new ATOM 0 HB THR A 70 -9.859 -8.431 -26.858 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.192 -7.613 -28.309 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.257 -6.596 -28.530 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.235 -6.377 -27.059 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.766 -5.403 -27.305 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.563 -8.307 -23.864 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.988 -9.298 -22.958 1.00 0.00 C ATOM 1123 C ASP A 71 -6.056 -8.578 -21.980 1.00 0.00 C ATOM 1124 O ASP A 71 -5.402 -7.600 -22.349 1.00 0.00 O ATOM 1125 CB ASP A 71 -6.214 -10.355 -23.756 1.00 0.00 C ATOM 1126 CG ASP A 71 -5.512 -11.347 -22.822 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -6.205 -12.159 -22.169 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -4.265 -11.301 -22.738 1.00 0.00 O ATOM 0 H ASP A 71 -6.945 -7.511 -24.023 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.780 -9.804 -22.406 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.898 -10.892 -24.414 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.477 -9.866 -24.393 1.00 0.00 H new ATOM 1133 N ILE A 72 -6.001 -9.045 -20.733 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.261 -8.420 -19.643 1.00 0.00 C ATOM 1135 C ILE A 72 -4.774 -9.525 -18.699 1.00 0.00 C ATOM 1136 O ILE A 72 -5.488 -10.504 -18.464 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.144 -7.350 -18.941 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.402 -6.719 -17.738 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.532 -7.870 -18.510 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.002 -5.391 -17.251 1.00 0.00 C ATOM 0 H ILE A 72 -6.486 -9.895 -20.447 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.385 -7.887 -20.013 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.328 -6.583 -19.693 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.404 -7.430 -16.912 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.361 -6.554 -18.014 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.088 -7.066 -18.028 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.080 -8.215 -19.387 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.410 -8.697 -17.810 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.423 -5.018 -16.407 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.975 -4.661 -18.060 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.035 -5.550 -16.940 1.00 0.00 H new ATOM 1152 N SER A 73 -3.578 -9.343 -18.140 1.00 0.00 N ATOM 1153 CA SER A 73 -2.988 -10.195 -17.117 1.00 0.00 C ATOM 1154 C SER A 73 -2.299 -9.277 -16.105 1.00 0.00 C ATOM 1155 O SER A 73 -1.780 -8.222 -16.485 1.00 0.00 O ATOM 1156 CB SER A 73 -1.988 -11.166 -17.768 1.00 0.00 C ATOM 1157 OG SER A 73 -2.572 -11.902 -18.834 1.00 0.00 O ATOM 0 H SER A 73 -2.972 -8.565 -18.401 1.00 0.00 H new ATOM 0 HA SER A 73 -3.744 -10.797 -16.612 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.131 -10.606 -18.142 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.612 -11.858 -17.014 1.00 0.00 H new ATOM 0 HG SER A 73 -1.903 -12.505 -19.220 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.316 -9.652 -14.823 1.00 0.00 N ATOM 1164 CA VAL A 74 -1.893 -8.805 -13.710 1.00 0.00 C ATOM 1165 C VAL A 74 -1.142 -9.679 -12.699 1.00 0.00 C ATOM 1166 O VAL A 74 -1.533 -10.822 -12.446 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.132 -8.131 -13.061 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.740 -7.160 -11.933 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.006 -7.382 -14.084 1.00 0.00 C ATOM 0 H VAL A 74 -2.632 -10.575 -14.526 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.231 -8.013 -14.060 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.714 -8.951 -12.641 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.639 -6.713 -11.509 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.204 -7.703 -11.155 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.099 -6.375 -12.335 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.857 -6.931 -13.574 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.416 -6.602 -14.565 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.365 -8.082 -14.838 1.00 0.00 H new ATOM 1179 N THR A 75 -0.096 -9.116 -12.099 1.00 0.00 N ATOM 1180 CA THR A 75 0.621 -9.637 -10.943 1.00 0.00 C ATOM 1181 C THR A 75 0.769 -8.458 -9.968 1.00 0.00 C ATOM 1182 O THR A 75 0.844 -7.307 -10.408 1.00 0.00 O ATOM 1183 CB THR A 75 1.985 -10.199 -11.401 1.00 0.00 C ATOM 1184 OG1 THR A 75 1.836 -11.072 -12.509 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.710 -10.979 -10.298 1.00 0.00 C ATOM 0 H THR A 75 0.295 -8.233 -12.427 1.00 0.00 H new ATOM 0 HA THR A 75 0.096 -10.457 -10.452 1.00 0.00 H new ATOM 0 HB THR A 75 2.577 -9.325 -11.671 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.715 -11.411 -12.779 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.662 -11.349 -10.679 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.891 -10.323 -9.447 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.094 -11.821 -9.982 1.00 0.00 H new ATOM 1193 N GLU A 76 0.821 -8.714 -8.661 1.00 0.00 N ATOM 1194 CA GLU A 76 0.998 -7.685 -7.638 1.00 0.00 C ATOM 1195 C GLU A 76 1.982 -8.201 -6.588 1.00 0.00 C ATOM 1196 O GLU A 76 2.032 -9.407 -6.321 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.344 -7.323 -6.976 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.353 -6.667 -7.932 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.668 -6.286 -7.224 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -3.275 -7.149 -6.548 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -3.138 -5.137 -7.385 1.00 0.00 O ATOM 0 H GLU A 76 0.740 -9.656 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 76 1.389 -6.781 -8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.788 -8.227 -6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.156 -6.647 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.907 -5.774 -8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.570 -7.351 -8.753 1.00 0.00 H new ATOM 1208 N SER A 77 2.738 -7.283 -5.983 1.00 0.00 N ATOM 1209 CA SER A 77 3.816 -7.564 -5.041 1.00 0.00 C ATOM 1210 C SER A 77 3.908 -6.418 -4.027 1.00 0.00 C ATOM 1211 O SER A 77 3.410 -5.320 -4.277 1.00 0.00 O ATOM 1212 CB SER A 77 5.146 -7.685 -5.811 1.00 0.00 C ATOM 1213 OG SER A 77 5.092 -8.677 -6.826 1.00 0.00 O ATOM 0 H SER A 77 2.608 -6.284 -6.144 1.00 0.00 H new ATOM 0 HA SER A 77 3.617 -8.498 -4.516 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.393 -6.723 -6.259 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.947 -7.926 -5.112 1.00 0.00 H new ATOM 0 HG SER A 77 5.955 -8.718 -7.289 1.00 0.00 H new ATOM 1219 N ARG A 78 4.581 -6.641 -2.891 1.00 0.00 N ATOM 1220 CA ARG A 78 4.953 -5.552 -1.974 1.00 0.00 C ATOM 1221 C ARG A 78 6.233 -4.843 -2.438 1.00 0.00 C ATOM 1222 O ARG A 78 6.552 -3.777 -1.920 1.00 0.00 O ATOM 1223 CB ARG A 78 5.105 -6.086 -0.535 1.00 0.00 C ATOM 1224 CG ARG A 78 3.780 -6.165 0.246 1.00 0.00 C ATOM 1225 CD ARG A 78 2.753 -7.143 -0.337 1.00 0.00 C ATOM 1226 NE ARG A 78 1.531 -7.196 0.488 1.00 0.00 N ATOM 1227 CZ ARG A 78 0.391 -7.818 0.161 1.00 0.00 C ATOM 1228 NH1 ARG A 78 0.286 -8.492 -0.984 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -0.651 -7.758 0.985 1.00 0.00 N ATOM 0 H ARG A 78 4.880 -7.566 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 78 4.150 -4.815 -1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.553 -7.079 -0.572 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.798 -5.444 0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.996 -6.456 1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.335 -5.171 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.496 -6.840 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.193 -8.138 -0.403 1.00 0.00 H new ATOM 0 HE ARG A 78 1.557 -6.716 1.388 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.080 -8.538 -1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.588 -8.961 -1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.579 -7.240 1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.522 -8.230 0.741 1.00 0.00 H new ATOM 1243 N SER A 79 6.973 -5.424 -3.386 1.00 0.00 N ATOM 1244 CA SER A 79 8.244 -4.943 -3.908 1.00 0.00 C ATOM 1245 C SER A 79 8.098 -3.583 -4.609 1.00 0.00 C ATOM 1246 O SER A 79 7.839 -3.519 -5.810 1.00 0.00 O ATOM 1247 CB SER A 79 8.821 -6.017 -4.844 1.00 0.00 C ATOM 1248 OG SER A 79 8.695 -7.310 -4.262 1.00 0.00 O ATOM 0 H SER A 79 6.679 -6.293 -3.832 1.00 0.00 H new ATOM 0 HA SER A 79 8.936 -4.774 -3.083 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.300 -5.991 -5.801 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.871 -5.804 -5.047 1.00 0.00 H new ATOM 0 HG SER A 79 9.066 -7.981 -4.872 1.00 0.00 H new ATOM 1254 N LEU A 80 8.229 -2.489 -3.856 1.00 0.00 N ATOM 1255 CA LEU A 80 8.235 -1.132 -4.398 1.00 0.00 C ATOM 1256 C LEU A 80 9.457 -0.925 -5.294 1.00 0.00 C ATOM 1257 O LEU A 80 10.536 -1.458 -5.025 1.00 0.00 O ATOM 1258 CB LEU A 80 8.255 -0.079 -3.273 1.00 0.00 C ATOM 1259 CG LEU A 80 7.174 -0.243 -2.190 1.00 0.00 C ATOM 1260 CD1 LEU A 80 7.199 0.961 -1.243 1.00 0.00 C ATOM 1261 CD2 LEU A 80 5.771 -0.403 -2.783 1.00 0.00 C ATOM 0 H LEU A 80 8.335 -2.523 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 80 7.322 -1.008 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.233 -0.106 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.147 0.908 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 80 7.403 -1.157 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.431 0.839 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.177 1.029 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.006 1.873 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.046 -0.515 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.523 0.479 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.744 -1.287 -3.421 1.00 0.00 H new ATOM 1273 N GLU A 81 9.300 -0.099 -6.326 1.00 0.00 N ATOM 1274 CA GLU A 81 10.386 0.320 -7.205 1.00 0.00 C ATOM 1275 C GLU A 81 11.199 1.475 -6.605 1.00 0.00 C ATOM 1276 O GLU A 81 12.384 1.621 -6.910 1.00 0.00 O ATOM 1277 CB GLU A 81 9.792 0.762 -8.553 1.00 0.00 C ATOM 1278 CG GLU A 81 8.935 -0.316 -9.227 1.00 0.00 C ATOM 1279 CD GLU A 81 9.683 -1.660 -9.319 1.00 0.00 C ATOM 1280 OE1 GLU A 81 10.814 -1.709 -9.856 1.00 0.00 O ATOM 1281 OE2 GLU A 81 9.143 -2.679 -8.842 1.00 0.00 O ATOM 0 H GLU A 81 8.398 0.304 -6.578 1.00 0.00 H new ATOM 0 HA GLU A 81 11.061 -0.526 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.184 1.654 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.604 1.042 -9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.011 -0.451 -8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.654 0.014 -10.227 1.00 0.00 H new ATOM 1288 N GLY A 82 10.570 2.303 -5.766 1.00 0.00 N ATOM 1289 CA GLY A 82 11.077 3.612 -5.380 1.00 0.00 C ATOM 1290 C GLY A 82 10.826 4.651 -6.480 1.00 0.00 C ATOM 1291 O GLY A 82 11.549 5.648 -6.547 1.00 0.00 O ATOM 0 H GLY A 82 9.677 2.073 -5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.596 3.933 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.146 3.545 -5.176 1.00 0.00 H new ATOM 1295 N HIS A 83 9.856 4.422 -7.375 1.00 0.00 N ATOM 1296 CA HIS A 83 9.552 5.351 -8.460 1.00 0.00 C ATOM 1297 C HIS A 83 8.744 6.533 -7.907 1.00 0.00 C ATOM 1298 O HIS A 83 7.983 6.374 -6.951 1.00 0.00 O ATOM 1299 CB HIS A 83 8.811 4.628 -9.601 1.00 0.00 C ATOM 1300 CG HIS A 83 9.218 5.111 -10.973 1.00 0.00 C ATOM 1301 ND1 HIS A 83 8.449 5.802 -11.880 1.00 0.00 N ATOM 1302 CD2 HIS A 83 10.430 4.887 -11.575 1.00 0.00 C ATOM 1303 CE1 HIS A 83 9.169 5.978 -12.998 1.00 0.00 C ATOM 1304 NE2 HIS A 83 10.395 5.445 -12.860 1.00 0.00 N ATOM 0 H HIS A 83 9.265 3.591 -7.364 1.00 0.00 H new ATOM 0 HA HIS A 83 10.479 5.740 -8.881 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.001 3.557 -9.528 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.738 4.770 -9.476 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.494 6.126 -11.728 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.269 4.369 -11.134 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.813 6.479 -13.886 1.00 0.00 H new ATOM 1312 N HIS A 84 8.891 7.712 -8.524 1.00 0.00 N ATOM 1313 CA HIS A 84 8.335 8.976 -8.022 1.00 0.00 C ATOM 1314 C HIS A 84 7.649 9.802 -9.130 1.00 0.00 C ATOM 1315 O HIS A 84 7.277 10.955 -8.904 1.00 0.00 O ATOM 1316 CB HIS A 84 9.455 9.769 -7.315 1.00 0.00 C ATOM 1317 CG HIS A 84 9.797 9.258 -5.933 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.615 8.196 -5.606 1.00 0.00 N ATOM 1319 CD2 HIS A 84 9.352 9.793 -4.752 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.651 8.093 -4.267 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.897 9.050 -3.695 1.00 0.00 N ATOM 0 H HIS A 84 9.406 7.817 -9.398 1.00 0.00 H new ATOM 0 HA HIS A 84 7.547 8.750 -7.303 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.352 9.740 -7.934 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.154 10.814 -7.240 1.00 0.00 H new ATOM 0 HD1 HIS A 84 11.107 7.594 -6.266 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.693 10.643 -4.652 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.209 7.345 -3.724 1.00 0.00 H new ATOM 1329 N ARG A 85 7.462 9.230 -10.325 1.00 0.00 N ATOM 1330 CA ARG A 85 6.763 9.848 -11.457 1.00 0.00 C ATOM 1331 C ARG A 85 6.091 8.756 -12.288 1.00 0.00 C ATOM 1332 O ARG A 85 6.282 7.572 -11.996 1.00 0.00 O ATOM 1333 CB ARG A 85 7.751 10.684 -12.298 1.00 0.00 C ATOM 1334 CG ARG A 85 8.960 9.886 -12.832 1.00 0.00 C ATOM 1335 CD ARG A 85 9.708 10.661 -13.924 1.00 0.00 C ATOM 1336 NE ARG A 85 8.884 10.749 -15.141 1.00 0.00 N ATOM 1337 CZ ARG A 85 8.702 11.812 -15.930 1.00 0.00 C ATOM 1338 NH1 ARG A 85 9.457 12.901 -15.806 1.00 0.00 N ATOM 1339 NH2 ARG A 85 7.738 11.760 -16.840 1.00 0.00 N ATOM 0 H ARG A 85 7.805 8.293 -10.537 1.00 0.00 H new ATOM 0 HA ARG A 85 5.990 10.526 -11.095 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.215 11.118 -13.142 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.116 11.513 -11.692 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.641 9.663 -12.011 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.619 8.931 -13.231 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.951 11.662 -13.568 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.652 10.165 -14.150 1.00 0.00 H new ATOM 0 HE ARG A 85 8.394 9.897 -15.414 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.191 12.935 -15.099 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.302 13.702 -16.418 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.160 10.924 -16.923 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.575 12.556 -17.457 1.00 0.00 H new ATOM 1353 N PHE A 86 5.360 9.123 -13.339 1.00 0.00 N ATOM 1354 CA PHE A 86 4.960 8.191 -14.388 1.00 0.00 C ATOM 1355 C PHE A 86 5.879 8.411 -15.592 1.00 0.00 C ATOM 1356 O PHE A 86 6.265 9.551 -15.873 1.00 0.00 O ATOM 1357 CB PHE A 86 3.474 8.362 -14.744 1.00 0.00 C ATOM 1358 CG PHE A 86 3.038 9.773 -15.095 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.276 10.301 -16.379 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.394 10.566 -14.125 1.00 0.00 C ATOM 1361 CE1 PHE A 86 2.903 11.621 -16.684 1.00 0.00 C ATOM 1362 CE2 PHE A 86 2.040 11.894 -14.424 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.292 12.423 -15.702 1.00 0.00 C ATOM 0 H PHE A 86 5.029 10.076 -13.486 1.00 0.00 H new ATOM 0 HA PHE A 86 5.066 7.162 -14.044 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.244 7.710 -15.587 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.876 8.016 -13.901 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.748 9.688 -17.133 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.172 10.154 -13.152 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.085 12.020 -17.671 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.573 12.509 -13.669 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.017 13.442 -15.930 1.00 0.00 H new ATOM 1373 N SER A 87 6.215 7.345 -16.319 1.00 0.00 N ATOM 1374 CA SER A 87 7.143 7.405 -17.449 1.00 0.00 C ATOM 1375 C SER A 87 6.695 6.488 -18.590 1.00 0.00 C ATOM 1376 O SER A 87 5.886 5.573 -18.406 1.00 0.00 O ATOM 1377 CB SER A 87 8.552 7.041 -16.961 1.00 0.00 C ATOM 1378 OG SER A 87 8.964 7.915 -15.922 1.00 0.00 O ATOM 0 H SER A 87 5.849 6.410 -16.139 1.00 0.00 H new ATOM 0 HA SER A 87 7.153 8.419 -17.848 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.564 6.012 -16.603 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.256 7.098 -17.791 1.00 0.00 H new ATOM 0 HG SER A 87 9.864 7.666 -15.623 1.00 0.00 H new ATOM 1384 N ILE A 88 7.223 6.724 -19.789 1.00 0.00 N ATOM 1385 CA ILE A 88 6.870 6.002 -21.002 1.00 0.00 C ATOM 1386 C ILE A 88 8.217 5.674 -21.652 1.00 0.00 C ATOM 1387 O ILE A 88 9.061 6.563 -21.794 1.00 0.00 O ATOM 1388 CB ILE A 88 5.928 6.856 -21.894 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.708 7.396 -21.103 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.462 6.006 -23.085 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.644 8.135 -21.926 1.00 0.00 C ATOM 0 H ILE A 88 7.928 7.444 -19.944 1.00 0.00 H new ATOM 0 HA ILE A 88 6.304 5.089 -20.821 1.00 0.00 H new ATOM 0 HB ILE A 88 6.484 7.724 -22.249 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.229 6.558 -20.596 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.073 8.071 -20.328 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.800 6.598 -23.717 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.328 5.687 -23.665 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.927 5.130 -22.719 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.841 8.466 -21.268 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.096 9.000 -22.412 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.239 7.464 -22.684 1.00 0.00 H new ATOM 1403 N VAL A 89 8.453 4.400 -21.970 1.00 0.00 N ATOM 1404 CA VAL A 89 9.786 3.880 -22.273 1.00 0.00 C ATOM 1405 C VAL A 89 9.685 2.804 -23.363 1.00 0.00 C ATOM 1406 O VAL A 89 8.590 2.340 -23.688 1.00 0.00 O ATOM 1407 CB VAL A 89 10.434 3.420 -20.939 1.00 0.00 C ATOM 1408 CG1 VAL A 89 9.788 2.160 -20.342 1.00 0.00 C ATOM 1409 CG2 VAL A 89 11.954 3.231 -21.043 1.00 0.00 C ATOM 0 H VAL A 89 7.718 3.695 -22.025 1.00 0.00 H new ATOM 0 HA VAL A 89 10.447 4.638 -22.694 1.00 0.00 H new ATOM 0 HB VAL A 89 10.240 4.244 -20.253 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.292 1.898 -19.412 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.734 2.352 -20.142 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.879 1.335 -21.048 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.347 2.909 -20.079 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.176 2.475 -21.796 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.419 4.175 -21.328 1.00 0.00 H new ATOM 1419 N TYR A 90 10.811 2.426 -23.967 1.00 0.00 N ATOM 1420 CA TYR A 90 10.873 1.445 -25.049 1.00 0.00 C ATOM 1421 C TYR A 90 12.147 0.600 -24.875 1.00 0.00 C ATOM 1422 O TYR A 90 12.989 0.509 -25.771 1.00 0.00 O ATOM 1423 CB TYR A 90 10.763 2.173 -26.402 1.00 0.00 C ATOM 1424 CG TYR A 90 10.420 1.272 -27.577 1.00 0.00 C ATOM 1425 CD1 TYR A 90 9.103 0.795 -27.733 1.00 0.00 C ATOM 1426 CD2 TYR A 90 11.402 0.927 -28.526 1.00 0.00 C ATOM 1427 CE1 TYR A 90 8.768 -0.018 -28.830 1.00 0.00 C ATOM 1428 CE2 TYR A 90 11.077 0.107 -29.622 1.00 0.00 C ATOM 1429 CZ TYR A 90 9.754 -0.369 -29.780 1.00 0.00 C ATOM 1430 OH TYR A 90 9.418 -1.160 -30.838 1.00 0.00 O ATOM 0 H TYR A 90 11.725 2.801 -23.712 1.00 0.00 H new ATOM 0 HA TYR A 90 10.036 0.748 -25.020 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.002 2.949 -26.322 1.00 0.00 H new ATOM 0 HB3 TYR A 90 11.709 2.674 -26.609 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.348 1.055 -27.006 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.411 1.294 -28.412 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.755 -0.375 -28.947 1.00 0.00 H new ATOM 0 HE2 TYR A 90 11.837 -0.159 -30.342 1.00 0.00 H new ATOM 0 HH TYR A 90 10.207 -1.308 -31.399 1.00 0.00 H new ATOM 1440 N SER A 91 12.330 0.070 -23.660 1.00 0.00 N ATOM 1441 CA SER A 91 13.487 -0.712 -23.244 1.00 0.00 C ATOM 1442 C SER A 91 13.783 -1.843 -24.234 1.00 0.00 C ATOM 1443 O SER A 91 12.847 -2.579 -24.615 1.00 0.00 O ATOM 1444 CB SER A 91 13.251 -1.259 -21.829 1.00 0.00 C ATOM 1445 OG SER A 91 12.645 -0.277 -20.996 1.00 0.00 O ATOM 1446 OXT SER A 91 14.960 -2.005 -24.617 1.00 0.00 O ATOM 0 H SER A 91 11.644 0.182 -22.913 1.00 0.00 H new ATOM 0 HA SER A 91 14.363 -0.064 -23.232 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.614 -2.142 -21.878 1.00 0.00 H new ATOM 0 HB3 SER A 91 14.200 -1.574 -21.394 1.00 0.00 H new ATOM 0 HG SER A 91 12.503 -0.650 -20.101 1.00 0.00 H new TER 1452 SER A 91