USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=18 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= 1.06 K(o=1.1,f=-3.2!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 1.11 USER MOD Set 2.2: A 67 SER OG : rot -74:sc= 1.29 USER MOD Set 3.1: A 51 ASN : amide:sc= 1.73 K(o=2.3,f=-6.9!) USER MOD Set 3.2: A 54 GLN : amide:sc= 0.566 K(o=2.3,f=-9!) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0567) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.851 K(o=0.85,f=-0.06) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 1.5 K(o=1.5,f=-0.54) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.866 K(o=0.87,f=-0.24) USER MOD Single : A 23 MET CE :methyl 177:sc= -0.104 (180deg=-0.118) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.22) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.1) USER MOD Single : A 36 ASN : amide:sc= 0.452 K(o=0.45,f=-3!) USER MOD Single : A 55 SER OG : rot 16:sc= 1.47 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.117 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= 0.00794 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0.766 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0207 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.521 -13.563 -0.563 1.00 0.00 N ATOM 2 CA MET A 1 -5.487 -13.712 0.494 1.00 0.00 C ATOM 3 C MET A 1 -6.144 -14.103 1.819 1.00 0.00 C ATOM 4 O MET A 1 -7.126 -13.486 2.236 1.00 0.00 O ATOM 5 CB MET A 1 -4.653 -12.427 0.682 1.00 0.00 C ATOM 6 CG MET A 1 -3.540 -12.266 -0.364 1.00 0.00 C ATOM 7 SD MET A 1 -2.227 -13.524 -0.312 1.00 0.00 S ATOM 8 CE MET A 1 -1.400 -13.085 1.246 1.00 0.00 C ATOM 0 H1 MET A 1 -6.065 -13.297 -1.459 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.025 -14.464 -0.685 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.197 -12.823 -0.286 1.00 0.00 H new ATOM 0 HA MET A 1 -4.806 -14.500 0.172 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.315 -11.562 0.634 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.208 -12.433 1.677 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.993 -12.279 -1.355 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.084 -11.284 -0.235 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.497 -13.684 1.360 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.135 -12.028 1.232 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.072 -13.279 2.082 1.00 0.00 H new ATOM 20 N LEU A 2 -5.587 -15.113 2.491 1.00 0.00 N ATOM 21 CA LEU A 2 -5.996 -15.623 3.797 1.00 0.00 C ATOM 22 C LEU A 2 -4.767 -15.602 4.711 1.00 0.00 C ATOM 23 O LEU A 2 -3.624 -15.540 4.236 1.00 0.00 O ATOM 24 CB LEU A 2 -6.514 -17.079 3.667 1.00 0.00 C ATOM 25 CG LEU A 2 -8.036 -17.302 3.610 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.742 -16.847 4.893 1.00 0.00 C ATOM 27 CD2 LEU A 2 -8.683 -16.638 2.392 1.00 0.00 C ATOM 0 H LEU A 2 -4.791 -15.626 2.113 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.797 -15.007 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.080 -17.509 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.124 -17.649 4.511 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.166 -18.380 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.813 -17.026 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.351 -17.408 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.564 -15.783 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.756 -16.827 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.504 -15.563 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.250 -17.050 1.480 1.00 0.00 H new ATOM 39 N GLN A 3 -5.021 -15.733 6.013 1.00 0.00 N ATOM 40 CA GLN A 3 -4.036 -15.960 7.058 1.00 0.00 C ATOM 41 C GLN A 3 -4.478 -17.222 7.801 1.00 0.00 C ATOM 42 O GLN A 3 -5.666 -17.365 8.092 1.00 0.00 O ATOM 43 CB GLN A 3 -4.016 -14.736 7.991 1.00 0.00 C ATOM 44 CG GLN A 3 -3.023 -14.844 9.155 1.00 0.00 C ATOM 45 CD GLN A 3 -3.067 -13.602 10.048 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.626 -13.633 11.141 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.482 -12.491 9.630 1.00 0.00 N ATOM 0 H GLN A 3 -5.971 -15.680 6.381 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.029 -16.094 6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.774 -13.850 7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.017 -14.586 8.396 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.252 -15.729 9.749 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.014 -14.976 8.763 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.019 -12.469 8.722 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.494 -11.656 10.216 1.00 0.00 H new ATOM 56 N TYR A 4 -3.549 -18.117 8.133 1.00 0.00 N ATOM 57 CA TYR A 4 -3.767 -19.300 8.963 1.00 0.00 C ATOM 58 C TYR A 4 -2.857 -19.184 10.190 1.00 0.00 C ATOM 59 O TYR A 4 -1.774 -18.598 10.111 1.00 0.00 O ATOM 60 CB TYR A 4 -3.401 -20.600 8.210 1.00 0.00 C ATOM 61 CG TYR A 4 -4.383 -21.221 7.217 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.434 -20.498 6.618 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.211 -22.578 6.875 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.295 -21.112 5.690 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.067 -23.203 5.950 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.115 -22.472 5.350 1.00 0.00 C ATOM 67 OH TYR A 4 -6.932 -23.086 4.449 1.00 0.00 O ATOM 0 H TYR A 4 -2.583 -18.034 7.817 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.821 -19.348 9.236 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.474 -20.409 7.670 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.181 -21.357 8.963 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.580 -19.459 6.875 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.412 -23.145 7.329 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.094 -20.544 5.237 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.922 -24.243 5.699 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.656 -24.020 4.341 1.00 0.00 H new ATOM 77 N ARG A 5 -3.240 -19.835 11.288 1.00 0.00 N ATOM 78 CA ARG A 5 -2.355 -20.206 12.389 1.00 0.00 C ATOM 79 C ARG A 5 -2.481 -21.718 12.512 1.00 0.00 C ATOM 80 O ARG A 5 -3.583 -22.251 12.365 1.00 0.00 O ATOM 81 CB ARG A 5 -2.760 -19.486 13.689 1.00 0.00 C ATOM 82 CG ARG A 5 -1.745 -19.711 14.830 1.00 0.00 C ATOM 83 CD ARG A 5 -2.267 -19.223 16.189 1.00 0.00 C ATOM 84 NE ARG A 5 -2.490 -17.766 16.217 1.00 0.00 N ATOM 85 CZ ARG A 5 -1.663 -16.832 16.709 1.00 0.00 C ATOM 86 NH1 ARG A 5 -0.501 -17.150 17.275 1.00 0.00 N ATOM 87 NH2 ARG A 5 -2.010 -15.552 16.623 1.00 0.00 N ATOM 0 H ARG A 5 -4.205 -20.127 11.439 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.322 -19.911 12.203 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.853 -18.417 13.495 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.742 -19.839 14.005 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.508 -20.773 14.896 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.817 -19.191 14.593 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.201 -19.735 16.421 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.553 -19.493 16.967 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.368 -17.432 15.819 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.218 -18.127 17.344 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.106 -16.416 17.640 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.895 -15.292 16.187 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.392 -14.830 16.993 1.00 0.00 H new ATOM 101 N ILE A 6 -1.373 -22.409 12.755 1.00 0.00 N ATOM 102 CA ILE A 6 -1.311 -23.862 12.815 1.00 0.00 C ATOM 103 C ILE A 6 -0.544 -24.199 14.093 1.00 0.00 C ATOM 104 O ILE A 6 0.425 -23.515 14.429 1.00 0.00 O ATOM 105 CB ILE A 6 -0.626 -24.432 11.545 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.243 -23.920 10.217 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.631 -25.971 11.568 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.371 -24.191 8.984 1.00 0.00 C ATOM 0 H ILE A 6 -0.471 -21.962 12.920 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.303 -24.314 12.841 1.00 0.00 H new ATOM 0 HB ILE A 6 0.400 -24.064 11.572 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.215 -24.391 10.073 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.418 -22.847 10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.146 -26.350 10.668 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.091 -26.324 12.447 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.659 -26.331 11.605 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.869 -23.805 8.094 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.593 -23.697 9.104 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.217 -25.265 8.876 1.00 0.00 H new ATOM 120 N ILE A 7 -0.951 -25.264 14.778 1.00 0.00 N ATOM 121 CA ILE A 7 -0.305 -25.796 15.973 1.00 0.00 C ATOM 122 C ILE A 7 -0.105 -27.286 15.687 1.00 0.00 C ATOM 123 O ILE A 7 -1.007 -27.921 15.136 1.00 0.00 O ATOM 124 CB ILE A 7 -1.190 -25.550 17.223 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.651 -24.082 17.409 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.477 -26.043 18.496 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.533 -23.076 17.707 1.00 0.00 C ATOM 0 H ILE A 7 -1.773 -25.801 14.504 1.00 0.00 H new ATOM 0 HA ILE A 7 0.647 -25.310 16.189 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.098 -26.128 17.049 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.171 -23.765 16.505 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.375 -24.046 18.223 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.113 -25.862 19.363 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.276 -27.111 18.410 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.463 -25.505 18.618 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.961 -22.080 17.820 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.025 -23.359 18.629 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.182 -23.073 16.885 1.00 0.00 H new ATOM 139 N VAL A 8 1.060 -27.839 16.022 1.00 0.00 N ATOM 140 CA VAL A 8 1.471 -29.188 15.635 1.00 0.00 C ATOM 141 C VAL A 8 2.114 -29.859 16.852 1.00 0.00 C ATOM 142 O VAL A 8 2.802 -29.193 17.631 1.00 0.00 O ATOM 143 CB VAL A 8 2.469 -29.123 14.450 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.576 -30.481 13.744 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.131 -28.072 13.378 1.00 0.00 C ATOM 0 H VAL A 8 1.759 -27.351 16.582 1.00 0.00 H new ATOM 0 HA VAL A 8 0.608 -29.768 15.309 1.00 0.00 H new ATOM 0 HB VAL A 8 3.411 -28.833 14.916 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.282 -30.407 12.917 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.924 -31.233 14.452 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.597 -30.770 13.360 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.884 -28.100 12.590 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.152 -28.289 12.952 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.118 -27.081 13.832 1.00 0.00 H new ATOM 155 N ASP A 9 1.938 -31.173 16.996 1.00 0.00 N ATOM 156 CA ASP A 9 2.556 -31.989 18.038 1.00 0.00 C ATOM 157 C ASP A 9 2.923 -33.360 17.464 1.00 0.00 C ATOM 158 O ASP A 9 2.356 -33.785 16.454 1.00 0.00 O ATOM 159 CB ASP A 9 1.588 -32.156 19.218 1.00 0.00 C ATOM 160 CG ASP A 9 2.225 -32.906 20.403 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.439 -32.741 20.656 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.501 -33.650 21.103 1.00 0.00 O ATOM 0 H ASP A 9 1.342 -31.715 16.370 1.00 0.00 H new ATOM 0 HA ASP A 9 3.460 -31.494 18.393 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.254 -31.173 19.551 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.703 -32.697 18.884 1.00 0.00 H new ATOM 167 N GLY A 10 3.880 -34.041 18.094 1.00 0.00 N ATOM 168 CA GLY A 10 4.386 -35.344 17.690 1.00 0.00 C ATOM 169 C GLY A 10 5.895 -35.409 17.873 1.00 0.00 C ATOM 170 O GLY A 10 6.478 -34.637 18.640 1.00 0.00 O ATOM 0 H GLY A 10 4.339 -33.683 18.931 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.908 -36.126 18.281 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.132 -35.532 16.647 1.00 0.00 H new ATOM 174 N ARG A 11 6.549 -36.306 17.132 1.00 0.00 N ATOM 175 CA ARG A 11 7.994 -36.271 16.926 1.00 0.00 C ATOM 176 C ARG A 11 8.260 -35.135 15.933 1.00 0.00 C ATOM 177 O ARG A 11 8.405 -35.392 14.739 1.00 0.00 O ATOM 178 CB ARG A 11 8.460 -37.656 16.420 1.00 0.00 C ATOM 179 CG ARG A 11 9.986 -37.806 16.296 1.00 0.00 C ATOM 180 CD ARG A 11 10.660 -38.112 17.642 1.00 0.00 C ATOM 181 NE ARG A 11 12.126 -37.969 17.545 1.00 0.00 N ATOM 182 CZ ARG A 11 12.805 -36.821 17.683 1.00 0.00 C ATOM 183 NH1 ARG A 11 12.175 -35.724 18.092 1.00 0.00 N ATOM 184 NH2 ARG A 11 14.103 -36.772 17.401 1.00 0.00 N ATOM 0 H ARG A 11 6.086 -37.081 16.656 1.00 0.00 H new ATOM 0 HA ARG A 11 8.557 -36.076 17.839 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.086 -38.422 17.099 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.008 -37.845 15.446 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.213 -38.605 15.590 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.405 -36.888 15.884 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.275 -37.437 18.407 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.410 -39.126 17.956 1.00 0.00 H new ATOM 0 HE ARG A 11 12.667 -38.813 17.358 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.177 -35.757 18.300 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.690 -34.850 18.198 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.587 -37.610 17.078 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.615 -35.896 17.507 1.00 0.00 H new ATOM 198 N VAL A 12 8.244 -33.882 16.396 1.00 0.00 N ATOM 199 CA VAL A 12 8.246 -32.694 15.534 1.00 0.00 C ATOM 200 C VAL A 12 9.243 -31.628 16.027 1.00 0.00 C ATOM 201 O VAL A 12 9.107 -30.458 15.681 1.00 0.00 O ATOM 202 CB VAL A 12 6.807 -32.138 15.365 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.860 -33.167 14.728 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.181 -31.640 16.679 1.00 0.00 C ATOM 0 H VAL A 12 8.229 -33.660 17.391 1.00 0.00 H new ATOM 0 HA VAL A 12 8.595 -32.992 14.545 1.00 0.00 H new ATOM 0 HB VAL A 12 6.923 -31.283 14.699 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.865 -32.734 14.630 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.234 -33.444 13.742 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.809 -34.054 15.359 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.176 -31.266 16.484 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.130 -32.463 17.392 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.793 -30.838 17.093 1.00 0.00 H new ATOM 214 N GLN A 13 10.232 -32.009 16.846 1.00 0.00 N ATOM 215 CA GLN A 13 11.289 -31.110 17.305 1.00 0.00 C ATOM 216 C GLN A 13 12.621 -31.850 17.338 1.00 0.00 C ATOM 217 O GLN A 13 12.652 -33.057 17.595 1.00 0.00 O ATOM 218 CB GLN A 13 11.002 -30.597 18.723 1.00 0.00 C ATOM 219 CG GLN A 13 9.773 -29.687 18.841 1.00 0.00 C ATOM 220 CD GLN A 13 9.792 -28.878 20.143 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.533 -29.162 21.085 1.00 0.00 O ATOM 222 NE2 GLN A 13 9.005 -27.823 20.220 1.00 0.00 N ATOM 0 H GLN A 13 10.318 -32.958 17.209 1.00 0.00 H new ATOM 0 HA GLN A 13 11.329 -30.269 16.612 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.867 -31.453 19.384 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.876 -30.052 19.081 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.740 -29.007 17.990 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.867 -30.292 18.801 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.391 -27.587 19.441 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.010 -27.243 21.059 1.00 0.00 H new ATOM 231 N GLY A 14 13.722 -31.129 17.162 1.00 0.00 N ATOM 232 CA GLY A 14 15.055 -31.704 17.117 1.00 0.00 C ATOM 233 C GLY A 14 15.231 -32.589 15.881 1.00 0.00 C ATOM 234 O GLY A 14 15.919 -33.610 15.960 1.00 0.00 O ATOM 0 H GLY A 14 13.711 -30.116 17.045 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.798 -30.907 17.106 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.231 -32.292 18.018 1.00 0.00 H new ATOM 238 N VAL A 15 14.583 -32.238 14.770 1.00 0.00 N ATOM 239 CA VAL A 15 14.529 -33.024 13.536 1.00 0.00 C ATOM 240 C VAL A 15 14.700 -32.141 12.286 1.00 0.00 C ATOM 241 O VAL A 15 14.910 -32.676 11.195 1.00 0.00 O ATOM 242 CB VAL A 15 13.231 -33.869 13.487 1.00 0.00 C ATOM 243 CG1 VAL A 15 13.233 -34.980 14.548 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.947 -33.041 13.650 1.00 0.00 C ATOM 0 H VAL A 15 14.061 -31.364 14.702 1.00 0.00 H new ATOM 0 HA VAL A 15 15.372 -33.715 13.537 1.00 0.00 H new ATOM 0 HB VAL A 15 13.227 -34.304 12.488 1.00 0.00 H new ATOM 0 HG11 VAL A 15 12.306 -35.549 14.480 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.080 -35.644 14.378 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.314 -34.536 15.540 1.00 0.00 H new ATOM 0 HG21 VAL A 15 11.080 -33.701 13.605 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.964 -32.529 14.612 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.885 -32.305 12.848 1.00 0.00 H new ATOM 254 N GLY A 16 14.665 -30.815 12.422 1.00 0.00 N ATOM 255 CA GLY A 16 14.777 -29.847 11.345 1.00 0.00 C ATOM 256 C GLY A 16 13.405 -29.276 10.987 1.00 0.00 C ATOM 257 O GLY A 16 13.233 -28.787 9.867 1.00 0.00 O ATOM 0 H GLY A 16 14.552 -30.371 13.333 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.446 -29.040 11.643 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.219 -30.320 10.468 1.00 0.00 H new ATOM 261 N PHE A 17 12.410 -29.393 11.869 1.00 0.00 N ATOM 262 CA PHE A 17 11.032 -29.055 11.559 1.00 0.00 C ATOM 263 C PHE A 17 10.886 -27.562 11.251 1.00 0.00 C ATOM 264 O PHE A 17 10.150 -27.218 10.326 1.00 0.00 O ATOM 265 CB PHE A 17 10.095 -29.507 12.687 1.00 0.00 C ATOM 266 CG PHE A 17 8.692 -29.847 12.215 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.704 -28.849 12.126 1.00 0.00 C ATOM 268 CD2 PHE A 17 8.370 -31.172 11.858 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.403 -29.173 11.701 1.00 0.00 C ATOM 270 CE2 PHE A 17 7.071 -31.497 11.429 1.00 0.00 C ATOM 271 CZ PHE A 17 6.085 -30.499 11.353 1.00 0.00 C ATOM 0 H PHE A 17 12.546 -29.728 12.823 1.00 0.00 H new ATOM 0 HA PHE A 17 10.739 -29.594 10.658 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.526 -30.380 13.177 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.036 -28.718 13.436 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.946 -27.829 12.385 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.125 -31.942 11.914 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.647 -28.404 11.642 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.831 -32.514 11.158 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.086 -30.749 11.028 1.00 0.00 H new ATOM 281 N ARG A 18 11.606 -26.664 11.940 1.00 0.00 N ATOM 282 CA ARG A 18 11.590 -25.232 11.609 1.00 0.00 C ATOM 283 C ARG A 18 11.984 -25.011 10.147 1.00 0.00 C ATOM 284 O ARG A 18 11.266 -24.340 9.406 1.00 0.00 O ATOM 285 CB ARG A 18 12.544 -24.470 12.547 1.00 0.00 C ATOM 286 CG ARG A 18 11.949 -24.210 13.942 1.00 0.00 C ATOM 287 CD ARG A 18 13.029 -23.801 14.957 1.00 0.00 C ATOM 288 NE ARG A 18 13.713 -24.978 15.513 1.00 0.00 N ATOM 289 CZ ARG A 18 14.608 -24.993 16.502 1.00 0.00 C ATOM 290 NH1 ARG A 18 15.184 -23.875 16.937 1.00 0.00 N ATOM 291 NH2 ARG A 18 14.918 -26.140 17.077 1.00 0.00 N ATOM 0 H ARG A 18 12.206 -26.904 12.729 1.00 0.00 H new ATOM 0 HA ARG A 18 10.578 -24.850 11.747 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.468 -25.039 12.654 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.808 -23.517 12.089 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.197 -23.424 13.875 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.441 -25.108 14.294 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.757 -23.149 14.474 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.574 -23.227 15.764 1.00 0.00 H new ATOM 0 HE ARG A 18 13.478 -25.880 15.098 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.944 -22.979 16.512 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.865 -23.914 17.695 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.474 -27.004 16.764 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.601 -26.163 17.834 1.00 0.00 H new ATOM 305 N TYR A 19 13.111 -25.585 9.719 1.00 0.00 N ATOM 306 CA TYR A 19 13.613 -25.401 8.363 1.00 0.00 C ATOM 307 C TYR A 19 12.690 -26.079 7.348 1.00 0.00 C ATOM 308 O TYR A 19 12.436 -25.513 6.284 1.00 0.00 O ATOM 309 CB TYR A 19 15.053 -25.927 8.279 1.00 0.00 C ATOM 310 CG TYR A 19 15.763 -25.743 6.944 1.00 0.00 C ATOM 311 CD1 TYR A 19 15.667 -24.529 6.232 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.568 -26.782 6.437 1.00 0.00 C ATOM 313 CE1 TYR A 19 16.350 -24.363 5.014 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.264 -26.619 5.225 1.00 0.00 C ATOM 315 CZ TYR A 19 17.154 -25.407 4.504 1.00 0.00 C ATOM 316 OH TYR A 19 17.815 -25.233 3.324 1.00 0.00 O ATOM 0 H TYR A 19 13.695 -26.186 10.301 1.00 0.00 H new ATOM 0 HA TYR A 19 13.624 -24.339 8.116 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.643 -25.433 9.051 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.043 -26.991 8.517 1.00 0.00 H new ATOM 0 HD1 TYR A 19 15.066 -23.722 6.625 1.00 0.00 H new ATOM 0 HD2 TYR A 19 16.652 -27.710 6.983 1.00 0.00 H new ATOM 0 HE1 TYR A 19 16.260 -23.436 4.467 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.882 -27.419 4.845 1.00 0.00 H new ATOM 0 HH TYR A 19 18.325 -26.043 3.112 1.00 0.00 H new ATOM 326 N PHE A 20 12.135 -27.250 7.680 1.00 0.00 N ATOM 327 CA PHE A 20 11.158 -27.935 6.844 1.00 0.00 C ATOM 328 C PHE A 20 9.943 -27.038 6.596 1.00 0.00 C ATOM 329 O PHE A 20 9.576 -26.814 5.444 1.00 0.00 O ATOM 330 CB PHE A 20 10.752 -29.265 7.493 1.00 0.00 C ATOM 331 CG PHE A 20 9.592 -29.957 6.804 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.783 -30.585 5.559 1.00 0.00 C ATOM 333 CD2 PHE A 20 8.313 -29.950 7.396 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.702 -31.206 4.910 1.00 0.00 C ATOM 335 CE2 PHE A 20 7.231 -30.562 6.741 1.00 0.00 C ATOM 336 CZ PHE A 20 7.426 -31.192 5.499 1.00 0.00 C ATOM 0 H PHE A 20 12.356 -27.747 8.543 1.00 0.00 H new ATOM 0 HA PHE A 20 11.608 -28.155 5.876 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.612 -29.934 7.495 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.487 -29.084 8.535 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.761 -30.590 5.102 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.164 -29.474 8.354 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.852 -31.694 3.958 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.250 -30.549 7.191 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.595 -31.665 4.997 1.00 0.00 H new ATOM 346 N VAL A 21 9.348 -26.467 7.644 1.00 0.00 N ATOM 347 CA VAL A 21 8.216 -25.565 7.490 1.00 0.00 C ATOM 348 C VAL A 21 8.633 -24.346 6.654 1.00 0.00 C ATOM 349 O VAL A 21 7.872 -23.933 5.779 1.00 0.00 O ATOM 350 CB VAL A 21 7.647 -25.199 8.877 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.538 -24.146 8.793 1.00 0.00 C ATOM 352 CG2 VAL A 21 7.037 -26.436 9.560 1.00 0.00 C ATOM 0 H VAL A 21 9.636 -26.617 8.611 1.00 0.00 H new ATOM 0 HA VAL A 21 7.409 -26.053 6.944 1.00 0.00 H new ATOM 0 HB VAL A 21 8.488 -24.804 9.447 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.171 -23.923 9.795 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.933 -23.236 8.341 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.719 -24.528 8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.642 -26.155 10.536 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.231 -26.832 8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.806 -27.198 9.686 1.00 0.00 H new ATOM 362 N GLN A 22 9.841 -23.801 6.854 1.00 0.00 N ATOM 363 CA GLN A 22 10.298 -22.645 6.095 1.00 0.00 C ATOM 364 C GLN A 22 10.350 -22.971 4.597 1.00 0.00 C ATOM 365 O GLN A 22 9.860 -22.182 3.787 1.00 0.00 O ATOM 366 CB GLN A 22 11.657 -22.157 6.633 1.00 0.00 C ATOM 367 CG GLN A 22 12.029 -20.782 6.056 1.00 0.00 C ATOM 368 CD GLN A 22 13.396 -20.264 6.506 1.00 0.00 C ATOM 369 OE1 GLN A 22 14.365 -21.010 6.621 1.00 0.00 O ATOM 370 NE2 GLN A 22 13.512 -18.966 6.750 1.00 0.00 N ATOM 0 H GLN A 22 10.514 -24.148 7.537 1.00 0.00 H new ATOM 0 HA GLN A 22 9.586 -21.829 6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.619 -22.098 7.721 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.431 -22.881 6.379 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.015 -20.841 4.968 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.266 -20.060 6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.702 -18.354 6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.411 -18.579 7.036 1.00 0.00 H new ATOM 379 N MET A 23 10.900 -24.126 4.207 1.00 0.00 N ATOM 380 CA MET A 23 10.998 -24.465 2.787 1.00 0.00 C ATOM 381 C MET A 23 9.637 -24.868 2.210 1.00 0.00 C ATOM 382 O MET A 23 9.363 -24.579 1.046 1.00 0.00 O ATOM 383 CB MET A 23 12.082 -25.526 2.526 1.00 0.00 C ATOM 384 CG MET A 23 11.772 -26.906 3.118 1.00 0.00 C ATOM 385 SD MET A 23 13.020 -28.188 2.820 1.00 0.00 S ATOM 386 CE MET A 23 14.317 -27.630 3.957 1.00 0.00 C ATOM 0 H MET A 23 11.277 -24.829 4.843 1.00 0.00 H new ATOM 0 HA MET A 23 11.311 -23.565 2.257 1.00 0.00 H new ATOM 0 HB2 MET A 23 12.221 -25.629 1.450 1.00 0.00 H new ATOM 0 HB3 MET A 23 13.027 -25.171 2.937 1.00 0.00 H new ATOM 0 HG2 MET A 23 11.639 -26.798 4.194 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.821 -27.250 2.712 1.00 0.00 H new ATOM 0 HE1 MET A 23 15.145 -28.339 3.941 1.00 0.00 H new ATOM 0 HE2 MET A 23 14.675 -26.648 3.647 1.00 0.00 H new ATOM 0 HE3 MET A 23 13.913 -27.567 4.967 1.00 0.00 H new ATOM 396 N GLU A 24 8.755 -25.491 2.995 1.00 0.00 N ATOM 397 CA GLU A 24 7.420 -25.857 2.540 1.00 0.00 C ATOM 398 C GLU A 24 6.505 -24.635 2.420 1.00 0.00 C ATOM 399 O GLU A 24 5.539 -24.669 1.658 1.00 0.00 O ATOM 400 CB GLU A 24 6.817 -26.912 3.475 1.00 0.00 C ATOM 401 CG GLU A 24 7.474 -28.294 3.314 1.00 0.00 C ATOM 402 CD GLU A 24 7.385 -28.871 1.887 1.00 0.00 C ATOM 403 OE1 GLU A 24 6.399 -28.590 1.169 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.305 -29.613 1.472 1.00 0.00 O ATOM 0 H GLU A 24 8.950 -25.754 3.961 1.00 0.00 H new ATOM 0 HA GLU A 24 7.508 -26.284 1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.926 -26.581 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.748 -26.997 3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.523 -28.221 3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.003 -28.991 4.006 1.00 0.00 H new ATOM 411 N ALA A 25 6.809 -23.540 3.121 1.00 0.00 N ATOM 412 CA ALA A 25 6.212 -22.248 2.834 1.00 0.00 C ATOM 413 C ALA A 25 6.791 -21.695 1.530 1.00 0.00 C ATOM 414 O ALA A 25 6.049 -21.272 0.640 1.00 0.00 O ATOM 415 CB ALA A 25 6.496 -21.285 3.988 1.00 0.00 C ATOM 0 H ALA A 25 7.472 -23.531 3.896 1.00 0.00 H new ATOM 0 HA ALA A 25 5.133 -22.360 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.047 -20.315 3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.070 -21.684 4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.573 -21.168 4.107 1.00 0.00 H new ATOM 421 N ASP A 26 8.122 -21.709 1.408 1.00 0.00 N ATOM 422 CA ASP A 26 8.834 -21.079 0.300 1.00 0.00 C ATOM 423 C ASP A 26 8.434 -21.681 -1.046 1.00 0.00 C ATOM 424 O ASP A 26 8.261 -20.947 -2.021 1.00 0.00 O ATOM 425 CB ASP A 26 10.347 -21.217 0.489 1.00 0.00 C ATOM 426 CG ASP A 26 11.087 -20.381 -0.564 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.067 -19.134 -0.448 1.00 0.00 O ATOM 428 OD2 ASP A 26 11.710 -20.962 -1.480 1.00 0.00 O ATOM 0 H ASP A 26 8.738 -22.163 2.083 1.00 0.00 H new ATOM 0 HA ASP A 26 8.559 -20.024 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.628 -20.888 1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.638 -22.264 0.404 1.00 0.00 H new ATOM 433 N LYS A 27 8.224 -23.003 -1.095 1.00 0.00 N ATOM 434 CA LYS A 27 7.917 -23.721 -2.336 1.00 0.00 C ATOM 435 C LYS A 27 6.642 -23.231 -3.024 1.00 0.00 C ATOM 436 O LYS A 27 6.515 -23.433 -4.232 1.00 0.00 O ATOM 437 CB LYS A 27 7.927 -25.249 -2.120 1.00 0.00 C ATOM 438 CG LYS A 27 6.743 -25.819 -1.316 1.00 0.00 C ATOM 439 CD LYS A 27 5.546 -26.271 -2.173 1.00 0.00 C ATOM 440 CE LYS A 27 4.352 -26.713 -1.312 1.00 0.00 C ATOM 441 NZ LYS A 27 4.520 -28.071 -0.737 1.00 0.00 N ATOM 0 H LYS A 27 8.263 -23.605 -0.272 1.00 0.00 H new ATOM 0 HA LYS A 27 8.721 -23.487 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.947 -25.735 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.852 -25.519 -1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.094 -26.668 -0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.402 -25.062 -0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.239 -25.454 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.853 -27.095 -2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.211 -25.997 -0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.447 -26.691 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.628 -28.374 -0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.778 -28.738 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.272 -28.053 -0.019 1.00 0.00 H new ATOM 455 N ARG A 28 5.711 -22.584 -2.305 1.00 0.00 N ATOM 456 CA ARG A 28 4.516 -21.983 -2.910 1.00 0.00 C ATOM 457 C ARG A 28 4.385 -20.513 -2.498 1.00 0.00 C ATOM 458 O ARG A 28 3.289 -19.957 -2.513 1.00 0.00 O ATOM 459 CB ARG A 28 3.289 -22.875 -2.625 1.00 0.00 C ATOM 460 CG ARG A 28 2.180 -22.713 -3.675 1.00 0.00 C ATOM 461 CD ARG A 28 1.127 -23.822 -3.549 1.00 0.00 C ATOM 462 NE ARG A 28 0.063 -23.632 -4.556 1.00 0.00 N ATOM 463 CZ ARG A 28 -1.150 -24.200 -4.570 1.00 0.00 C ATOM 464 NH1 ARG A 28 -1.531 -25.062 -3.638 1.00 0.00 N ATOM 465 NH2 ARG A 28 -2.018 -23.901 -5.529 1.00 0.00 N ATOM 0 H ARG A 28 5.766 -22.464 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 28 4.599 -21.948 -3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.603 -23.918 -2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.889 -22.632 -1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.703 -21.740 -3.556 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.616 -22.734 -4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.596 -24.796 -3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.696 -23.812 -2.548 1.00 0.00 H new ATOM 0 HE ARG A 28 0.276 -22.998 -5.326 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.893 -25.310 -2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.462 -25.477 -3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.762 -23.236 -6.259 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.941 -24.336 -5.536 1.00 0.00 H new ATOM 479 N LYS A 29 5.515 -19.876 -2.154 1.00 0.00 N ATOM 480 CA LYS A 29 5.634 -18.462 -1.790 1.00 0.00 C ATOM 481 C LYS A 29 4.600 -18.033 -0.739 1.00 0.00 C ATOM 482 O LYS A 29 4.074 -16.920 -0.799 1.00 0.00 O ATOM 483 CB LYS A 29 5.641 -17.579 -3.055 1.00 0.00 C ATOM 484 CG LYS A 29 6.794 -17.922 -4.019 1.00 0.00 C ATOM 485 CD LYS A 29 6.798 -17.054 -5.286 1.00 0.00 C ATOM 486 CE LYS A 29 7.083 -15.573 -4.984 1.00 0.00 C ATOM 487 NZ LYS A 29 7.143 -14.751 -6.219 1.00 0.00 N ATOM 0 H LYS A 29 6.412 -20.360 -2.122 1.00 0.00 H new ATOM 0 HA LYS A 29 6.596 -18.317 -1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.691 -17.694 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.719 -16.532 -2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.744 -17.799 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.721 -18.971 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.550 -17.432 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.833 -17.141 -5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.307 -15.182 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.028 -15.489 -4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.337 -13.761 -5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.901 -15.107 -6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.233 -14.809 -6.719 1.00 0.00 H new ATOM 501 N LEU A 30 4.311 -18.903 0.234 1.00 0.00 N ATOM 502 CA LEU A 30 3.656 -18.486 1.467 1.00 0.00 C ATOM 503 C LEU A 30 4.603 -17.512 2.181 1.00 0.00 C ATOM 504 O LEU A 30 5.823 -17.583 2.006 1.00 0.00 O ATOM 505 CB LEU A 30 3.377 -19.695 2.380 1.00 0.00 C ATOM 506 CG LEU A 30 2.270 -20.690 1.985 1.00 0.00 C ATOM 507 CD1 LEU A 30 0.921 -19.996 1.779 1.00 0.00 C ATOM 508 CD2 LEU A 30 2.587 -21.525 0.747 1.00 0.00 C ATOM 0 H LEU A 30 4.523 -19.900 0.187 1.00 0.00 H new ATOM 0 HA LEU A 30 2.700 -18.015 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.306 -20.257 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.135 -19.310 3.371 1.00 0.00 H new ATOM 0 HG LEU A 30 2.214 -21.371 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.170 -20.736 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.621 -19.503 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.011 -19.255 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.755 -22.198 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.741 -20.865 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.491 -22.108 0.923 1.00 0.00 H new ATOM 520 N ALA A 31 4.056 -16.659 3.043 1.00 0.00 N ATOM 521 CA ALA A 31 4.821 -15.773 3.917 1.00 0.00 C ATOM 522 C ALA A 31 4.315 -15.974 5.342 1.00 0.00 C ATOM 523 O ALA A 31 3.180 -16.414 5.516 1.00 0.00 O ATOM 524 CB ALA A 31 4.641 -14.322 3.464 1.00 0.00 C ATOM 0 H ALA A 31 3.047 -16.562 3.156 1.00 0.00 H new ATOM 0 HA ALA A 31 5.886 -16.002 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.213 -13.663 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.996 -14.214 2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.586 -14.054 3.512 1.00 0.00 H new ATOM 530 N GLY A 32 5.128 -15.695 6.361 1.00 0.00 N ATOM 531 CA GLY A 32 4.750 -15.965 7.742 1.00 0.00 C ATOM 532 C GLY A 32 5.955 -16.296 8.608 1.00 0.00 C ATOM 533 O GLY A 32 7.076 -15.875 8.309 1.00 0.00 O ATOM 0 H GLY A 32 6.054 -15.281 6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.235 -15.097 8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.045 -16.796 7.769 1.00 0.00 H new ATOM 537 N TRP A 33 5.734 -17.047 9.684 1.00 0.00 N ATOM 538 CA TRP A 33 6.797 -17.540 10.534 1.00 0.00 C ATOM 539 C TRP A 33 6.444 -18.874 11.194 1.00 0.00 C ATOM 540 O TRP A 33 5.278 -19.271 11.240 1.00 0.00 O ATOM 541 CB TRP A 33 7.160 -16.473 11.577 1.00 0.00 C ATOM 542 CG TRP A 33 6.027 -15.990 12.432 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.590 -16.571 13.572 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.153 -14.838 12.218 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.538 -15.847 14.094 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.231 -14.759 13.304 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.048 -13.848 11.216 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.276 -13.737 13.405 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.074 -12.833 11.293 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.193 -12.772 12.387 1.00 0.00 C ATOM 0 H TRP A 33 4.802 -17.329 9.987 1.00 0.00 H new ATOM 0 HA TRP A 33 7.668 -17.735 9.908 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.936 -16.876 12.228 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.591 -15.616 11.059 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.003 -17.468 14.009 1.00 0.00 H new ATOM 0 HE1 TRP A 33 4.049 -16.086 14.956 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.726 -13.870 10.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.612 -13.692 14.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.004 -12.097 10.506 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.455 -11.986 12.445 1.00 0.00 H new ATOM 561 N VAL A 34 7.459 -19.537 11.755 1.00 0.00 N ATOM 562 CA VAL A 34 7.347 -20.774 12.529 1.00 0.00 C ATOM 563 C VAL A 34 8.177 -20.637 13.806 1.00 0.00 C ATOM 564 O VAL A 34 9.192 -19.934 13.807 1.00 0.00 O ATOM 565 CB VAL A 34 7.788 -21.976 11.661 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.228 -21.858 11.129 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.662 -23.321 12.394 1.00 0.00 C ATOM 0 H VAL A 34 8.423 -19.211 11.678 1.00 0.00 H new ATOM 0 HA VAL A 34 6.312 -20.954 12.821 1.00 0.00 H new ATOM 0 HB VAL A 34 7.097 -21.950 10.819 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.467 -22.736 10.529 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.316 -20.963 10.513 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.921 -21.791 11.967 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.986 -24.126 11.735 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.288 -23.309 13.286 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.623 -23.483 12.681 1.00 0.00 H new ATOM 577 N LYS A 35 7.784 -21.336 14.877 1.00 0.00 N ATOM 578 CA LYS A 35 8.568 -21.438 16.099 1.00 0.00 C ATOM 579 C LYS A 35 8.434 -22.827 16.716 1.00 0.00 C ATOM 580 O LYS A 35 7.331 -23.364 16.844 1.00 0.00 O ATOM 581 CB LYS A 35 8.187 -20.308 17.070 1.00 0.00 C ATOM 582 CG LYS A 35 6.756 -20.344 17.628 1.00 0.00 C ATOM 583 CD LYS A 35 6.487 -19.052 18.410 1.00 0.00 C ATOM 584 CE LYS A 35 5.121 -19.105 19.101 1.00 0.00 C ATOM 585 NZ LYS A 35 4.764 -17.807 19.720 1.00 0.00 N ATOM 0 H LYS A 35 6.903 -21.849 14.913 1.00 0.00 H new ATOM 0 HA LYS A 35 9.624 -21.311 15.862 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.882 -20.329 17.909 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.332 -19.355 16.560 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.038 -20.447 16.814 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.628 -21.210 18.278 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.270 -18.903 19.154 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.524 -18.198 17.733 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.357 -19.383 18.375 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.131 -19.881 19.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.177 -17.974 20.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.631 -17.304 19.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.233 -17.231 19.036 1.00 0.00 H new ATOM 599 N ASN A 36 9.579 -23.392 17.102 1.00 0.00 N ATOM 600 CA ASN A 36 9.689 -24.518 18.031 1.00 0.00 C ATOM 601 C ASN A 36 9.317 -23.946 19.405 1.00 0.00 C ATOM 602 O ASN A 36 9.988 -23.023 19.875 1.00 0.00 O ATOM 603 CB ASN A 36 11.139 -25.062 17.961 1.00 0.00 C ATOM 604 CG ASN A 36 11.531 -26.063 19.051 1.00 0.00 C ATOM 605 OD1 ASN A 36 11.320 -25.824 20.236 1.00 0.00 O ATOM 606 ND2 ASN A 36 12.164 -27.176 18.712 1.00 0.00 N ATOM 0 H ASN A 36 10.486 -23.068 16.765 1.00 0.00 H new ATOM 0 HA ASN A 36 9.033 -25.358 17.802 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.282 -25.537 16.990 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.826 -24.217 18.007 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.472 -27.827 19.434 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.343 -27.382 17.729 1.00 0.00 H new ATOM 613 N ARG A 37 8.220 -24.413 20.016 1.00 0.00 N ATOM 614 CA ARG A 37 7.777 -23.927 21.325 1.00 0.00 C ATOM 615 C ARG A 37 8.460 -24.748 22.412 1.00 0.00 C ATOM 616 O ARG A 37 8.602 -25.963 22.271 1.00 0.00 O ATOM 617 CB ARG A 37 6.248 -24.043 21.464 1.00 0.00 C ATOM 618 CG ARG A 37 5.487 -23.087 20.525 1.00 0.00 C ATOM 619 CD ARG A 37 3.961 -23.197 20.676 1.00 0.00 C ATOM 620 NE ARG A 37 3.532 -23.025 22.072 1.00 0.00 N ATOM 621 CZ ARG A 37 3.008 -21.939 22.649 1.00 0.00 C ATOM 622 NH1 ARG A 37 2.615 -20.874 21.954 1.00 0.00 N ATOM 623 NH2 ARG A 37 2.896 -21.951 23.971 1.00 0.00 N ATOM 0 H ARG A 37 7.619 -25.134 19.618 1.00 0.00 H new ATOM 0 HA ARG A 37 8.046 -22.876 21.425 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.946 -25.069 21.253 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.965 -23.833 22.495 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.795 -22.062 20.730 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.762 -23.303 19.493 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.480 -22.443 20.053 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.630 -24.170 20.312 1.00 0.00 H new ATOM 0 HE ARG A 37 3.649 -23.838 22.677 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.708 -20.865 20.938 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.220 -20.067 22.437 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.204 -22.766 24.502 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.502 -21.145 24.457 1.00 0.00 H new ATOM 637 N ASP A 38 8.815 -24.117 23.532 1.00 0.00 N ATOM 638 CA ASP A 38 9.483 -24.802 24.644 1.00 0.00 C ATOM 639 C ASP A 38 8.605 -25.896 25.261 1.00 0.00 C ATOM 640 O ASP A 38 9.116 -26.903 25.751 1.00 0.00 O ATOM 641 CB ASP A 38 9.889 -23.785 25.716 1.00 0.00 C ATOM 642 CG ASP A 38 10.565 -24.472 26.914 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.731 -24.911 26.787 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.953 -24.538 28.005 1.00 0.00 O ATOM 0 H ASP A 38 8.650 -23.124 23.695 1.00 0.00 H new ATOM 0 HA ASP A 38 10.373 -25.288 24.243 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.569 -23.051 25.284 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.008 -23.241 26.056 1.00 0.00 H new ATOM 649 N ASP A 39 7.279 -25.732 25.187 1.00 0.00 N ATOM 650 CA ASP A 39 6.302 -26.728 25.629 1.00 0.00 C ATOM 651 C ASP A 39 6.283 -28.002 24.764 1.00 0.00 C ATOM 652 O ASP A 39 5.640 -28.982 25.149 1.00 0.00 O ATOM 653 CB ASP A 39 4.897 -26.114 25.759 1.00 0.00 C ATOM 654 CG ASP A 39 4.234 -25.704 24.442 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.196 -26.480 23.465 1.00 0.00 O ATOM 656 OD2 ASP A 39 3.677 -24.583 24.392 1.00 0.00 O ATOM 0 H ASP A 39 6.849 -24.887 24.811 1.00 0.00 H new ATOM 0 HA ASP A 39 6.629 -27.048 26.618 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.251 -26.832 26.263 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.961 -25.236 26.402 1.00 0.00 H new ATOM 661 N GLY A 40 7.001 -28.024 23.635 1.00 0.00 N ATOM 662 CA GLY A 40 7.206 -29.210 22.810 1.00 0.00 C ATOM 663 C GLY A 40 6.428 -29.179 21.493 1.00 0.00 C ATOM 664 O GLY A 40 6.726 -29.969 20.593 1.00 0.00 O ATOM 0 H GLY A 40 7.465 -27.195 23.265 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.269 -29.312 22.592 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.910 -30.093 23.377 1.00 0.00 H new ATOM 668 N ARG A 41 5.439 -28.291 21.352 1.00 0.00 N ATOM 669 CA ARG A 41 4.692 -28.122 20.108 1.00 0.00 C ATOM 670 C ARG A 41 5.521 -27.340 19.094 1.00 0.00 C ATOM 671 O ARG A 41 6.562 -26.758 19.411 1.00 0.00 O ATOM 672 CB ARG A 41 3.357 -27.422 20.403 1.00 0.00 C ATOM 673 CG ARG A 41 2.427 -28.324 21.234 1.00 0.00 C ATOM 674 CD ARG A 41 1.153 -27.594 21.662 1.00 0.00 C ATOM 675 NE ARG A 41 1.447 -26.516 22.620 1.00 0.00 N ATOM 676 CZ ARG A 41 0.549 -25.678 23.150 1.00 0.00 C ATOM 677 NH1 ARG A 41 -0.740 -25.762 22.823 1.00 0.00 N ATOM 678 NH2 ARG A 41 0.949 -24.755 24.014 1.00 0.00 N ATOM 0 H ARG A 41 5.135 -27.669 22.101 1.00 0.00 H new ATOM 0 HA ARG A 41 4.479 -29.099 19.674 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.542 -26.492 20.941 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.868 -27.156 19.466 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.161 -29.206 20.651 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.958 -28.675 22.119 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.658 -27.178 20.784 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.459 -28.304 22.112 1.00 0.00 H new ATOM 0 HE ARG A 41 2.419 -26.398 22.904 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.053 -26.472 22.161 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.414 -25.116 23.235 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.934 -24.688 24.269 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.271 -24.112 24.423 1.00 0.00 H new ATOM 692 N VAL A 42 5.025 -27.263 17.871 1.00 0.00 N ATOM 693 CA VAL A 42 5.446 -26.258 16.907 1.00 0.00 C ATOM 694 C VAL A 42 4.219 -25.383 16.677 1.00 0.00 C ATOM 695 O VAL A 42 3.086 -25.873 16.700 1.00 0.00 O ATOM 696 CB VAL A 42 5.996 -26.928 15.629 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.338 -25.912 14.529 1.00 0.00 C ATOM 698 CG2 VAL A 42 7.263 -27.734 15.949 1.00 0.00 C ATOM 0 H VAL A 42 4.313 -27.901 17.515 1.00 0.00 H new ATOM 0 HA VAL A 42 6.272 -25.641 17.261 1.00 0.00 H new ATOM 0 HB VAL A 42 5.204 -27.581 15.263 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.720 -26.438 13.654 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.441 -25.356 14.255 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.096 -25.220 14.896 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.638 -28.200 15.038 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.024 -27.069 16.356 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.028 -28.507 16.681 1.00 0.00 H new ATOM 708 N GLU A 43 4.442 -24.091 16.457 1.00 0.00 N ATOM 709 CA GLU A 43 3.404 -23.141 16.102 1.00 0.00 C ATOM 710 C GLU A 43 3.867 -22.413 14.848 1.00 0.00 C ATOM 711 O GLU A 43 5.064 -22.191 14.648 1.00 0.00 O ATOM 712 CB GLU A 43 3.131 -22.208 17.291 1.00 0.00 C ATOM 713 CG GLU A 43 2.274 -20.980 16.938 1.00 0.00 C ATOM 714 CD GLU A 43 1.742 -20.232 18.172 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.340 -20.346 19.268 1.00 0.00 O ATOM 716 OE2 GLU A 43 0.741 -19.495 18.025 1.00 0.00 O ATOM 0 H GLU A 43 5.369 -23.671 16.523 1.00 0.00 H new ATOM 0 HA GLU A 43 2.454 -23.628 15.882 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.630 -22.774 18.077 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.083 -21.869 17.700 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.867 -20.294 16.334 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.432 -21.298 16.324 1.00 0.00 H new ATOM 723 N ILE A 44 2.911 -22.070 13.994 1.00 0.00 N ATOM 724 CA ILE A 44 3.127 -21.490 12.688 1.00 0.00 C ATOM 725 C ILE A 44 2.038 -20.432 12.520 1.00 0.00 C ATOM 726 O ILE A 44 0.905 -20.637 12.966 1.00 0.00 O ATOM 727 CB ILE A 44 3.000 -22.573 11.585 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.530 -23.981 11.965 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.684 -22.070 10.310 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.352 -25.054 10.883 1.00 0.00 C ATOM 0 H ILE A 44 1.922 -22.197 14.209 1.00 0.00 H new ATOM 0 HA ILE A 44 4.125 -21.060 12.601 1.00 0.00 H new ATOM 0 HB ILE A 44 1.931 -22.720 11.433 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.590 -23.901 12.205 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.022 -24.312 12.871 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.599 -22.826 9.529 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.203 -21.150 9.978 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.737 -21.876 10.514 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.753 -26.002 11.242 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.292 -25.170 10.657 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.885 -24.753 9.981 1.00 0.00 H new ATOM 742 N LEU A 45 2.344 -19.341 11.827 1.00 0.00 N ATOM 743 CA LEU A 45 1.357 -18.378 11.358 1.00 0.00 C ATOM 744 C LEU A 45 1.787 -18.024 9.945 1.00 0.00 C ATOM 745 O LEU A 45 2.952 -17.688 9.735 1.00 0.00 O ATOM 746 CB LEU A 45 1.303 -17.176 12.315 1.00 0.00 C ATOM 747 CG LEU A 45 0.095 -16.246 12.076 1.00 0.00 C ATOM 748 CD1 LEU A 45 -0.188 -15.440 13.349 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.306 -15.264 10.914 1.00 0.00 C ATOM 0 H LEU A 45 3.301 -19.098 11.572 1.00 0.00 H new ATOM 0 HA LEU A 45 0.339 -18.767 11.342 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.271 -17.541 13.341 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.221 -16.598 12.210 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.746 -16.889 11.815 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.041 -14.783 13.181 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.411 -16.122 14.169 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.687 -14.841 13.603 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.580 -14.640 10.800 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.170 -14.633 11.123 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.478 -15.821 9.993 1.00 0.00 H new ATOM 761 N ALA A 46 0.886 -18.162 8.974 1.00 0.00 N ATOM 762 CA ALA A 46 1.205 -18.075 7.557 1.00 0.00 C ATOM 763 C ALA A 46 0.112 -17.313 6.820 1.00 0.00 C ATOM 764 O ALA A 46 -1.020 -17.230 7.292 1.00 0.00 O ATOM 765 CB ALA A 46 1.365 -19.485 6.980 1.00 0.00 C ATOM 0 H ALA A 46 -0.102 -18.340 9.157 1.00 0.00 H new ATOM 0 HA ALA A 46 2.143 -17.535 7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.604 -19.419 5.919 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.170 -20.002 7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.435 -20.039 7.109 1.00 0.00 H new ATOM 771 N GLU A 47 0.444 -16.780 5.651 1.00 0.00 N ATOM 772 CA GLU A 47 -0.417 -15.967 4.814 1.00 0.00 C ATOM 773 C GLU A 47 -0.173 -16.361 3.362 1.00 0.00 C ATOM 774 O GLU A 47 0.962 -16.674 2.981 1.00 0.00 O ATOM 775 CB GLU A 47 -0.106 -14.473 5.010 1.00 0.00 C ATOM 776 CG GLU A 47 -0.384 -14.016 6.445 1.00 0.00 C ATOM 777 CD GLU A 47 -0.311 -12.498 6.612 1.00 0.00 C ATOM 778 OE1 GLU A 47 0.701 -11.874 6.229 1.00 0.00 O ATOM 779 OE2 GLU A 47 -1.272 -11.929 7.173 1.00 0.00 O ATOM 0 H GLU A 47 1.370 -16.912 5.244 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.460 -16.133 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.939 -14.284 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.707 -13.883 4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.373 -14.362 6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.336 -14.485 7.116 1.00 0.00 H new ATOM 786 N GLY A 48 -1.233 -16.337 2.556 1.00 0.00 N ATOM 787 CA GLY A 48 -1.170 -16.722 1.151 1.00 0.00 C ATOM 788 C GLY A 48 -2.570 -16.889 0.571 1.00 0.00 C ATOM 789 O GLY A 48 -3.553 -16.655 1.280 1.00 0.00 O ATOM 0 H GLY A 48 -2.162 -16.049 2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.626 -15.965 0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.616 -17.655 1.050 1.00 0.00 H new ATOM 793 N PRO A 49 -2.703 -17.286 -0.704 1.00 0.00 N ATOM 794 CA PRO A 49 -3.985 -17.720 -1.234 1.00 0.00 C ATOM 795 C PRO A 49 -4.420 -19.006 -0.517 1.00 0.00 C ATOM 796 O PRO A 49 -3.586 -19.810 -0.082 1.00 0.00 O ATOM 797 CB PRO A 49 -3.774 -17.897 -2.740 1.00 0.00 C ATOM 798 CG PRO A 49 -2.277 -18.172 -2.876 1.00 0.00 C ATOM 799 CD PRO A 49 -1.645 -17.438 -1.690 1.00 0.00 C ATOM 0 HA PRO A 49 -4.790 -17.004 -1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.368 -18.723 -3.132 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.067 -17.004 -3.291 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.065 -19.241 -2.841 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.890 -17.801 -3.825 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.809 -18.005 -1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.253 -16.468 -1.995 1.00 0.00 H new ATOM 807 N GLU A 50 -5.735 -19.203 -0.399 1.00 0.00 N ATOM 808 CA GLU A 50 -6.309 -20.250 0.440 1.00 0.00 C ATOM 809 C GLU A 50 -5.782 -21.627 0.032 1.00 0.00 C ATOM 810 O GLU A 50 -5.383 -22.405 0.893 1.00 0.00 O ATOM 811 CB GLU A 50 -7.844 -20.182 0.366 1.00 0.00 C ATOM 812 CG GLU A 50 -8.518 -21.144 1.356 1.00 0.00 C ATOM 813 CD GLU A 50 -10.051 -21.025 1.300 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.681 -21.627 0.400 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.647 -20.346 2.167 1.00 0.00 O ATOM 0 H GLU A 50 -6.431 -18.638 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.007 -20.089 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.171 -19.163 0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.168 -20.421 -0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.223 -22.168 1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.172 -20.929 2.367 1.00 0.00 H new ATOM 822 N ASN A 51 -5.707 -21.926 -1.270 1.00 0.00 N ATOM 823 CA ASN A 51 -5.255 -23.245 -1.707 1.00 0.00 C ATOM 824 C ASN A 51 -3.760 -23.465 -1.465 1.00 0.00 C ATOM 825 O ASN A 51 -3.350 -24.600 -1.221 1.00 0.00 O ATOM 826 CB ASN A 51 -5.615 -23.508 -3.173 1.00 0.00 C ATOM 827 CG ASN A 51 -5.238 -24.932 -3.566 1.00 0.00 C ATOM 828 OD1 ASN A 51 -4.321 -25.143 -4.357 1.00 0.00 O ATOM 829 ND2 ASN A 51 -5.903 -25.934 -3.015 1.00 0.00 N ATOM 0 H ASN A 51 -5.949 -21.284 -2.024 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.788 -23.969 -1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.683 -23.353 -3.325 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.095 -22.797 -3.815 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.657 -26.897 -3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.662 -25.744 -2.360 1.00 0.00 H new ATOM 836 N ALA A 52 -2.944 -22.405 -1.483 1.00 0.00 N ATOM 837 CA ALA A 52 -1.544 -22.532 -1.096 1.00 0.00 C ATOM 838 C ALA A 52 -1.438 -22.823 0.398 1.00 0.00 C ATOM 839 O ALA A 52 -0.615 -23.640 0.809 1.00 0.00 O ATOM 840 CB ALA A 52 -0.738 -21.287 -1.468 1.00 0.00 C ATOM 0 H ALA A 52 -3.228 -21.465 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.116 -23.368 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.300 -21.421 -1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.783 -21.133 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.156 -20.418 -0.960 1.00 0.00 H new ATOM 846 N LEU A 53 -2.286 -22.193 1.213 1.00 0.00 N ATOM 847 CA LEU A 53 -2.341 -22.483 2.636 1.00 0.00 C ATOM 848 C LEU A 53 -2.858 -23.905 2.890 1.00 0.00 C ATOM 849 O LEU A 53 -2.374 -24.557 3.814 1.00 0.00 O ATOM 850 CB LEU A 53 -3.178 -21.417 3.354 1.00 0.00 C ATOM 851 CG LEU A 53 -2.452 -20.064 3.484 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.446 -18.973 3.876 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.332 -20.112 4.535 1.00 0.00 C ATOM 0 H LEU A 53 -2.944 -21.477 0.905 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.333 -22.444 3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.112 -21.271 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.440 -21.779 4.348 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.007 -19.843 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.924 -18.020 3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.219 -18.893 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.906 -19.226 4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.847 -19.138 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.756 -20.366 5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.598 -20.866 4.251 1.00 0.00 H new ATOM 865 N GLN A 54 -3.764 -24.438 2.061 1.00 0.00 N ATOM 866 CA GLN A 54 -4.166 -25.835 2.134 1.00 0.00 C ATOM 867 C GLN A 54 -2.965 -26.748 1.861 1.00 0.00 C ATOM 868 O GLN A 54 -2.691 -27.627 2.679 1.00 0.00 O ATOM 869 CB GLN A 54 -5.309 -26.137 1.153 1.00 0.00 C ATOM 870 CG GLN A 54 -6.659 -25.527 1.555 1.00 0.00 C ATOM 871 CD GLN A 54 -7.746 -25.833 0.520 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.576 -25.612 -0.679 1.00 0.00 O ATOM 873 NE2 GLN A 54 -8.879 -26.365 0.946 1.00 0.00 N ATOM 0 H GLN A 54 -4.233 -23.909 1.326 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.533 -26.030 3.142 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.034 -25.765 0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.422 -27.218 1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.961 -25.918 2.527 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.553 -24.448 1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.015 -26.546 1.940 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.617 -26.594 0.280 1.00 0.00 H new ATOM 882 N SER A 55 -2.217 -26.548 0.767 1.00 0.00 N ATOM 883 CA SER A 55 -1.062 -27.402 0.480 1.00 0.00 C ATOM 884 C SER A 55 0.016 -27.268 1.562 1.00 0.00 C ATOM 885 O SER A 55 0.702 -28.240 1.878 1.00 0.00 O ATOM 886 CB SER A 55 -0.497 -27.112 -0.915 1.00 0.00 C ATOM 887 OG SER A 55 -0.348 -25.723 -1.168 1.00 0.00 O ATOM 0 H SER A 55 -2.388 -25.815 0.079 1.00 0.00 H new ATOM 0 HA SER A 55 -1.403 -28.437 0.490 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.471 -27.602 -1.019 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.156 -27.545 -1.667 1.00 0.00 H new ATOM 0 HG SER A 55 -0.392 -25.230 -0.322 1.00 0.00 H new ATOM 893 N PHE A 56 0.150 -26.080 2.156 1.00 0.00 N ATOM 894 CA PHE A 56 1.051 -25.849 3.269 1.00 0.00 C ATOM 895 C PHE A 56 0.641 -26.710 4.468 1.00 0.00 C ATOM 896 O PHE A 56 1.490 -27.406 5.018 1.00 0.00 O ATOM 897 CB PHE A 56 1.073 -24.353 3.595 1.00 0.00 C ATOM 898 CG PHE A 56 2.022 -23.951 4.703 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.403 -24.180 4.565 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.531 -23.304 5.853 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.290 -23.745 5.561 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.422 -22.854 6.839 1.00 0.00 C ATOM 903 CZ PHE A 56 3.804 -23.057 6.684 1.00 0.00 C ATOM 0 H PHE A 56 -0.371 -25.251 1.870 1.00 0.00 H new ATOM 0 HA PHE A 56 2.066 -26.146 3.004 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.340 -23.804 2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.065 -24.042 3.870 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.781 -24.691 3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.469 -23.154 5.976 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.348 -23.940 5.464 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.046 -22.351 7.718 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.492 -22.684 7.428 1.00 0.00 H new ATOM 913 N VAL A 57 -0.647 -26.742 4.835 1.00 0.00 N ATOM 914 CA VAL A 57 -1.128 -27.621 5.902 1.00 0.00 C ATOM 915 C VAL A 57 -0.832 -29.083 5.550 1.00 0.00 C ATOM 916 O VAL A 57 -0.353 -29.812 6.416 1.00 0.00 O ATOM 917 CB VAL A 57 -2.623 -27.373 6.208 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.232 -28.439 7.137 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.812 -26.015 6.899 1.00 0.00 C ATOM 0 H VAL A 57 -1.373 -26.168 4.407 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.590 -27.388 6.821 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.129 -27.409 5.243 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.283 -28.210 7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.149 -29.420 6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.696 -28.443 8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.870 -25.857 7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.252 -26.002 7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.448 -25.221 6.247 1.00 0.00 H new ATOM 929 N GLU A 58 -1.063 -29.511 4.304 1.00 0.00 N ATOM 930 CA GLU A 58 -0.814 -30.892 3.890 1.00 0.00 C ATOM 931 C GLU A 58 0.660 -31.264 4.083 1.00 0.00 C ATOM 932 O GLU A 58 0.973 -32.352 4.569 1.00 0.00 O ATOM 933 CB GLU A 58 -1.243 -31.116 2.429 1.00 0.00 C ATOM 934 CG GLU A 58 -2.761 -31.070 2.208 1.00 0.00 C ATOM 935 CD GLU A 58 -3.482 -32.282 2.826 1.00 0.00 C ATOM 936 OE1 GLU A 58 -3.540 -33.353 2.179 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.015 -32.172 3.952 1.00 0.00 O ATOM 0 H GLU A 58 -1.425 -28.913 3.561 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.416 -31.544 4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.772 -30.358 1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.867 -32.083 2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.161 -30.153 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.969 -31.034 1.139 1.00 0.00 H new ATOM 944 N ALA A 59 1.571 -30.348 3.750 1.00 0.00 N ATOM 945 CA ALA A 59 2.996 -30.548 3.938 1.00 0.00 C ATOM 946 C ALA A 59 3.345 -30.612 5.428 1.00 0.00 C ATOM 947 O ALA A 59 4.066 -31.515 5.851 1.00 0.00 O ATOM 948 CB ALA A 59 3.774 -29.430 3.242 1.00 0.00 C ATOM 0 H ALA A 59 1.333 -29.445 3.341 1.00 0.00 H new ATOM 0 HA ALA A 59 3.279 -31.501 3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.843 -29.586 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.547 -29.438 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.487 -28.468 3.667 1.00 0.00 H new ATOM 954 N VAL A 60 2.813 -29.687 6.231 1.00 0.00 N ATOM 955 CA VAL A 60 3.071 -29.625 7.663 1.00 0.00 C ATOM 956 C VAL A 60 2.611 -30.932 8.313 1.00 0.00 C ATOM 957 O VAL A 60 3.392 -31.543 9.041 1.00 0.00 O ATOM 958 CB VAL A 60 2.391 -28.374 8.264 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.392 -28.384 9.799 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.101 -27.085 7.814 1.00 0.00 C ATOM 0 H VAL A 60 2.186 -28.955 5.897 1.00 0.00 H new ATOM 0 HA VAL A 60 4.138 -29.524 7.860 1.00 0.00 H new ATOM 0 HB VAL A 60 1.364 -28.399 7.901 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.903 -27.483 10.169 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.855 -29.262 10.157 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.419 -28.414 10.162 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.600 -26.222 8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.140 -27.108 8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.066 -27.011 6.727 1.00 0.00 H new ATOM 970 N LYS A 61 1.383 -31.393 8.041 1.00 0.00 N ATOM 971 CA LYS A 61 0.859 -32.600 8.675 1.00 0.00 C ATOM 972 C LYS A 61 1.559 -33.863 8.176 1.00 0.00 C ATOM 973 O LYS A 61 1.637 -34.832 8.930 1.00 0.00 O ATOM 974 CB LYS A 61 -0.678 -32.668 8.602 1.00 0.00 C ATOM 975 CG LYS A 61 -1.308 -32.859 7.213 1.00 0.00 C ATOM 976 CD LYS A 61 -1.560 -34.320 6.806 1.00 0.00 C ATOM 977 CE LYS A 61 -2.681 -34.963 7.640 1.00 0.00 C ATOM 978 NZ LYS A 61 -2.983 -36.350 7.201 1.00 0.00 N ATOM 0 H LYS A 61 0.739 -30.947 7.388 1.00 0.00 H new ATOM 0 HA LYS A 61 1.097 -32.542 9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.010 -33.488 9.239 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.077 -31.749 9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.256 -32.322 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.657 -32.398 6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.824 -34.362 5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.642 -34.894 6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.391 -34.972 8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.583 -34.355 7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.744 -36.743 7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.286 -36.341 6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.131 -36.938 7.298 1.00 0.00 H new ATOM 992 N ASN A 62 2.087 -33.873 6.945 1.00 0.00 N ATOM 993 CA ASN A 62 2.943 -34.965 6.483 1.00 0.00 C ATOM 994 C ASN A 62 4.233 -35.018 7.305 1.00 0.00 C ATOM 995 O ASN A 62 4.699 -36.101 7.660 1.00 0.00 O ATOM 996 CB ASN A 62 3.282 -34.812 4.994 1.00 0.00 C ATOM 997 CG ASN A 62 4.028 -36.039 4.473 1.00 0.00 C ATOM 998 OD1 ASN A 62 3.410 -37.005 4.035 1.00 0.00 O ATOM 999 ND2 ASN A 62 5.350 -36.045 4.498 1.00 0.00 N ATOM 0 H ASN A 62 1.935 -33.137 6.255 1.00 0.00 H new ATOM 0 HA ASN A 62 2.394 -35.897 6.618 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.365 -34.669 4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.892 -33.921 4.846 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.863 -36.856 4.152 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.857 -35.239 4.863 1.00 0.00 H new ATOM 1006 N GLY A 63 4.788 -33.846 7.617 1.00 0.00 N ATOM 1007 CA GLY A 63 6.091 -33.691 8.241 1.00 0.00 C ATOM 1008 C GLY A 63 7.214 -33.932 7.230 1.00 0.00 C ATOM 1009 O GLY A 63 6.980 -34.352 6.090 1.00 0.00 O ATOM 0 H GLY A 63 4.325 -32.956 7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.181 -32.688 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.187 -34.392 9.071 1.00 0.00 H new ATOM 1013 N SER A 64 8.442 -33.653 7.656 1.00 0.00 N ATOM 1014 CA SER A 64 9.654 -34.063 6.966 1.00 0.00 C ATOM 1015 C SER A 64 9.756 -35.600 6.952 1.00 0.00 C ATOM 1016 O SER A 64 9.076 -36.271 7.738 1.00 0.00 O ATOM 1017 CB SER A 64 10.844 -33.425 7.700 1.00 0.00 C ATOM 1018 OG SER A 64 10.915 -33.881 9.043 1.00 0.00 O ATOM 0 H SER A 64 8.623 -33.124 8.509 1.00 0.00 H new ATOM 0 HA SER A 64 9.647 -33.732 5.927 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.770 -33.669 7.180 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.746 -32.340 7.685 1.00 0.00 H new ATOM 0 HG SER A 64 11.680 -33.463 9.490 1.00 0.00 H new ATOM 1024 N PRO A 65 10.679 -36.190 6.171 1.00 0.00 N ATOM 1025 CA PRO A 65 11.045 -37.597 6.325 1.00 0.00 C ATOM 1026 C PRO A 65 11.706 -37.908 7.685 1.00 0.00 C ATOM 1027 O PRO A 65 12.006 -39.074 7.954 1.00 0.00 O ATOM 1028 CB PRO A 65 11.968 -37.910 5.140 1.00 0.00 C ATOM 1029 CG PRO A 65 12.582 -36.556 4.797 1.00 0.00 C ATOM 1030 CD PRO A 65 11.445 -35.580 5.093 1.00 0.00 C ATOM 0 HA PRO A 65 10.158 -38.231 6.321 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.732 -38.640 5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.413 -38.324 4.298 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.463 -36.346 5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.895 -36.507 3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.832 -34.605 5.390 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.824 -35.422 4.211 1.00 0.00 H new ATOM 1038 N PHE A 66 11.934 -36.906 8.546 1.00 0.00 N ATOM 1039 CA PHE A 66 12.620 -37.046 9.828 1.00 0.00 C ATOM 1040 C PHE A 66 11.656 -36.928 11.017 1.00 0.00 C ATOM 1041 O PHE A 66 12.082 -37.137 12.154 1.00 0.00 O ATOM 1042 CB PHE A 66 13.732 -35.987 9.922 1.00 0.00 C ATOM 1043 CG PHE A 66 14.628 -35.884 8.698 1.00 0.00 C ATOM 1044 CD1 PHE A 66 15.405 -36.988 8.293 1.00 0.00 C ATOM 1045 CD2 PHE A 66 14.670 -34.692 7.949 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.211 -36.900 7.143 1.00 0.00 C ATOM 1047 CE2 PHE A 66 15.478 -34.604 6.802 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.248 -35.709 6.397 1.00 0.00 C ATOM 0 H PHE A 66 11.635 -35.949 8.359 1.00 0.00 H new ATOM 0 HA PHE A 66 13.055 -38.044 9.877 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.273 -35.015 10.100 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.353 -36.210 10.790 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.382 -37.903 8.866 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.079 -33.842 8.257 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.802 -37.749 6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 66 15.507 -33.687 6.232 1.00 0.00 H new ATOM 0 HZ PHE A 66 16.867 -35.643 5.514 1.00 0.00 H new ATOM 1058 N SER A 67 10.377 -36.611 10.789 1.00 0.00 N ATOM 1059 CA SER A 67 9.397 -36.322 11.827 1.00 0.00 C ATOM 1060 C SER A 67 8.166 -37.225 11.708 1.00 0.00 C ATOM 1061 O SER A 67 7.993 -37.949 10.722 1.00 0.00 O ATOM 1062 CB SER A 67 9.035 -34.836 11.725 1.00 0.00 C ATOM 1063 OG SER A 67 8.675 -34.453 10.419 1.00 0.00 O ATOM 0 H SER A 67 9.989 -36.548 9.848 1.00 0.00 H new ATOM 0 HA SER A 67 9.818 -36.530 12.810 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.209 -34.620 12.403 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.883 -34.236 12.054 1.00 0.00 H new ATOM 0 HG SER A 67 9.477 -34.411 9.858 1.00 0.00 H new ATOM 1069 N LYS A 68 7.297 -37.173 12.721 1.00 0.00 N ATOM 1070 CA LYS A 68 5.990 -37.820 12.726 1.00 0.00 C ATOM 1071 C LYS A 68 5.063 -36.924 13.532 1.00 0.00 C ATOM 1072 O LYS A 68 5.129 -36.905 14.760 1.00 0.00 O ATOM 1073 CB LYS A 68 6.087 -39.248 13.307 1.00 0.00 C ATOM 1074 CG LYS A 68 4.732 -39.958 13.488 1.00 0.00 C ATOM 1075 CD LYS A 68 3.922 -40.101 12.190 1.00 0.00 C ATOM 1076 CE LYS A 68 2.593 -40.808 12.489 1.00 0.00 C ATOM 1077 NZ LYS A 68 1.755 -40.970 11.276 1.00 0.00 N ATOM 0 H LYS A 68 7.493 -36.664 13.583 1.00 0.00 H new ATOM 0 HA LYS A 68 5.599 -37.941 11.716 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.714 -39.852 12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.590 -39.200 14.273 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.906 -40.949 13.906 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.138 -39.405 14.216 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.734 -39.119 11.757 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.491 -40.670 11.455 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.795 -41.788 12.922 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.041 -40.237 13.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.869 -41.452 11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.539 -40.035 10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.269 -41.537 10.572 1.00 0.00 H new ATOM 1091 N VAL A 69 4.224 -36.160 12.840 1.00 0.00 N ATOM 1092 CA VAL A 69 3.112 -35.458 13.465 1.00 0.00 C ATOM 1093 C VAL A 69 2.169 -36.519 14.049 1.00 0.00 C ATOM 1094 O VAL A 69 1.941 -37.556 13.419 1.00 0.00 O ATOM 1095 CB VAL A 69 2.416 -34.575 12.406 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.222 -33.802 12.982 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.402 -33.567 11.792 1.00 0.00 C ATOM 0 H VAL A 69 4.296 -36.011 11.834 1.00 0.00 H new ATOM 0 HA VAL A 69 3.442 -34.800 14.269 1.00 0.00 H new ATOM 0 HB VAL A 69 2.052 -35.257 11.638 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.768 -33.197 12.198 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.486 -34.506 13.369 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.563 -33.153 13.789 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.885 -32.959 11.050 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.799 -32.923 12.576 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.221 -34.104 11.314 1.00 0.00 H new ATOM 1107 N THR A 70 1.593 -36.248 15.217 1.00 0.00 N ATOM 1108 CA THR A 70 0.574 -37.085 15.841 1.00 0.00 C ATOM 1109 C THR A 70 -0.704 -36.278 16.116 1.00 0.00 C ATOM 1110 O THR A 70 -1.774 -36.872 16.263 1.00 0.00 O ATOM 1111 CB THR A 70 1.137 -37.735 17.117 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.539 -36.740 18.036 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.352 -38.622 16.816 1.00 0.00 C ATOM 0 H THR A 70 1.827 -35.422 15.768 1.00 0.00 H new ATOM 0 HA THR A 70 0.299 -37.885 15.154 1.00 0.00 H new ATOM 0 HB THR A 70 0.341 -38.350 17.537 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.894 -37.165 18.844 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.720 -39.062 17.743 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.062 -39.416 16.128 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.139 -38.019 16.363 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.631 -34.940 16.120 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.786 -34.054 16.217 1.00 0.00 C ATOM 1123 C ASP A 71 -1.464 -32.732 15.526 1.00 0.00 C ATOM 1124 O ASP A 71 -0.313 -32.290 15.524 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.143 -33.792 17.688 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.358 -32.859 17.817 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.419 -33.165 17.229 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.262 -31.835 18.527 1.00 0.00 O ATOM 0 H ASP A 71 0.255 -34.438 16.054 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.639 -34.529 15.732 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.355 -34.738 18.186 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.287 -33.349 18.198 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.481 -32.097 14.951 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.390 -30.797 14.305 1.00 0.00 C ATOM 1135 C ILE A 72 -3.749 -30.105 14.464 1.00 0.00 C ATOM 1136 O ILE A 72 -4.792 -30.767 14.435 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.929 -30.948 12.828 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.784 -29.562 12.159 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -2.821 -31.898 11.998 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.190 -29.597 10.749 1.00 0.00 C ATOM 0 H ILE A 72 -3.422 -32.489 14.922 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.631 -30.169 14.773 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.949 -31.424 12.853 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.765 -29.090 12.115 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.155 -28.933 12.789 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.441 -31.956 10.978 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.810 -32.892 12.446 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.842 -31.518 11.983 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.125 -28.582 10.356 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.193 -30.037 10.785 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.828 -30.197 10.100 1.00 0.00 H new ATOM 1152 N SER A 73 -3.734 -28.779 14.593 1.00 0.00 N ATOM 1153 CA SER A 73 -4.910 -27.924 14.664 1.00 0.00 C ATOM 1154 C SER A 73 -4.645 -26.682 13.813 1.00 0.00 C ATOM 1155 O SER A 73 -3.491 -26.268 13.673 1.00 0.00 O ATOM 1156 CB SER A 73 -5.185 -27.530 16.124 1.00 0.00 C ATOM 1157 OG SER A 73 -5.351 -28.671 16.955 1.00 0.00 O ATOM 0 H SER A 73 -2.863 -28.252 14.653 1.00 0.00 H new ATOM 0 HA SER A 73 -5.787 -28.450 14.287 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.360 -26.924 16.499 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.082 -26.912 16.171 1.00 0.00 H new ATOM 0 HG SER A 73 -5.522 -28.383 17.876 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.701 -26.087 13.256 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.626 -24.932 12.367 1.00 0.00 C ATOM 1165 C VAL A 74 -6.748 -23.964 12.763 1.00 0.00 C ATOM 1166 O VAL A 74 -7.847 -24.394 13.129 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.752 -25.378 10.886 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.539 -24.208 9.910 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.758 -26.492 10.514 1.00 0.00 C ATOM 0 H VAL A 74 -6.657 -26.406 13.417 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.662 -24.433 12.464 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.769 -25.759 10.794 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.636 -24.567 8.885 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.287 -23.437 10.097 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.543 -23.790 10.055 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.891 -26.764 9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.739 -26.137 10.670 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.938 -27.365 11.141 1.00 0.00 H new ATOM 1179 N THR A 75 -6.475 -22.667 12.647 1.00 0.00 N ATOM 1180 CA THR A 75 -7.449 -21.581 12.714 1.00 0.00 C ATOM 1181 C THR A 75 -7.086 -20.623 11.572 1.00 0.00 C ATOM 1182 O THR A 75 -5.950 -20.650 11.088 1.00 0.00 O ATOM 1183 CB THR A 75 -7.387 -20.889 14.094 1.00 0.00 C ATOM 1184 OG1 THR A 75 -7.216 -21.820 15.152 1.00 0.00 O ATOM 1185 CG2 THR A 75 -8.651 -20.078 14.404 1.00 0.00 C ATOM 0 H THR A 75 -5.524 -22.329 12.497 1.00 0.00 H new ATOM 0 HA THR A 75 -8.473 -21.938 12.602 1.00 0.00 H new ATOM 0 HB THR A 75 -6.526 -20.224 14.031 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.180 -21.341 16.006 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.554 -19.613 15.385 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.782 -19.304 13.647 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.518 -20.739 14.400 1.00 0.00 H new ATOM 1193 N GLU A 76 -8.010 -19.779 11.115 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.776 -18.903 9.975 1.00 0.00 C ATOM 1195 C GLU A 76 -8.530 -17.581 10.117 1.00 0.00 C ATOM 1196 O GLU A 76 -9.546 -17.494 10.816 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.103 -19.632 8.657 1.00 0.00 C ATOM 1198 CG GLU A 76 -9.584 -19.953 8.415 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.151 -21.024 9.368 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -9.943 -22.233 9.121 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.841 -20.668 10.349 1.00 0.00 O ATOM 0 H GLU A 76 -8.939 -19.686 11.526 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.717 -18.647 9.950 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.744 -19.021 7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.541 -20.565 8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.167 -19.038 8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.710 -20.292 7.387 1.00 0.00 H new ATOM 1208 N SER A 77 -8.042 -16.568 9.404 1.00 0.00 N ATOM 1209 CA SER A 77 -8.442 -15.175 9.514 1.00 0.00 C ATOM 1210 C SER A 77 -8.505 -14.578 8.110 1.00 0.00 C ATOM 1211 O SER A 77 -7.627 -14.817 7.276 1.00 0.00 O ATOM 1212 CB SER A 77 -7.424 -14.402 10.369 1.00 0.00 C ATOM 1213 OG SER A 77 -7.259 -15.003 11.645 1.00 0.00 O ATOM 0 H SER A 77 -7.319 -16.709 8.698 1.00 0.00 H new ATOM 0 HA SER A 77 -9.419 -15.104 9.993 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.464 -14.369 9.854 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.757 -13.371 10.491 1.00 0.00 H new ATOM 0 HG SER A 77 -6.605 -14.491 12.166 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.558 -13.800 7.853 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.680 -12.987 6.644 1.00 0.00 C ATOM 1221 C ARG A 78 -8.769 -11.766 6.769 1.00 0.00 C ATOM 1222 O ARG A 78 -8.195 -11.325 5.774 1.00 0.00 O ATOM 1223 CB ARG A 78 -11.147 -12.555 6.450 1.00 0.00 C ATOM 1224 CG ARG A 78 -12.063 -13.609 5.807 1.00 0.00 C ATOM 1225 CD ARG A 78 -12.165 -14.939 6.565 1.00 0.00 C ATOM 1226 NE ARG A 78 -12.683 -14.781 7.941 1.00 0.00 N ATOM 1227 CZ ARG A 78 -12.329 -15.513 9.008 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -11.489 -16.537 8.878 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -12.789 -15.196 10.212 1.00 0.00 N ATOM 0 H ARG A 78 -10.355 -13.717 8.483 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.377 -13.569 5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.560 -12.283 7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.165 -11.657 5.833 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.063 -13.187 5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.704 -13.811 4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.816 -15.617 6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.180 -15.405 6.604 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.374 -14.047 8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.108 -16.771 7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.226 -17.088 9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.411 -14.396 10.326 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.520 -15.752 11.023 1.00 0.00 H new ATOM 1243 N SER A 79 -8.630 -11.232 7.985 1.00 0.00 N ATOM 1244 CA SER A 79 -7.675 -10.198 8.339 1.00 0.00 C ATOM 1245 C SER A 79 -6.252 -10.690 8.061 1.00 0.00 C ATOM 1246 O SER A 79 -5.965 -11.886 8.161 1.00 0.00 O ATOM 1247 CB SER A 79 -7.850 -9.847 9.825 1.00 0.00 C ATOM 1248 OG SER A 79 -9.224 -9.679 10.148 1.00 0.00 O ATOM 0 H SER A 79 -9.205 -11.524 8.775 1.00 0.00 H new ATOM 0 HA SER A 79 -7.850 -9.305 7.739 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.421 -10.636 10.442 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.304 -8.932 10.053 1.00 0.00 H new ATOM 0 HG SER A 79 -9.312 -9.458 11.099 1.00 0.00 H new ATOM 1254 N LEU A 80 -5.361 -9.748 7.753 1.00 0.00 N ATOM 1255 CA LEU A 80 -3.979 -9.991 7.347 1.00 0.00 C ATOM 1256 C LEU A 80 -3.049 -9.067 8.133 1.00 0.00 C ATOM 1257 O LEU A 80 -3.487 -8.062 8.699 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.798 -9.702 5.842 1.00 0.00 C ATOM 1259 CG LEU A 80 -4.706 -10.490 4.881 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -4.490 -9.984 3.451 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.454 -12.000 4.934 1.00 0.00 C ATOM 0 H LEU A 80 -5.593 -8.755 7.781 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.739 -11.035 7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.966 -8.638 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.761 -9.906 5.577 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.736 -10.325 5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.132 -10.540 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.737 -8.924 3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.447 -10.128 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.122 -12.505 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.419 -12.206 4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.641 -12.365 5.944 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.753 -9.368 8.093 1.00 0.00 N ATOM 1274 CA GLU A 81 -0.669 -8.531 8.598 1.00 0.00 C ATOM 1275 C GLU A 81 0.326 -8.199 7.477 1.00 0.00 C ATOM 1276 O GLU A 81 1.000 -7.168 7.546 1.00 0.00 O ATOM 1277 CB GLU A 81 0.019 -9.209 9.795 1.00 0.00 C ATOM 1278 CG GLU A 81 -0.902 -9.269 11.024 1.00 0.00 C ATOM 1279 CD GLU A 81 -0.178 -9.830 12.259 1.00 0.00 C ATOM 1280 OE1 GLU A 81 0.587 -9.084 12.915 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -0.394 -11.012 12.606 1.00 0.00 O ATOM 0 H GLU A 81 -1.415 -10.242 7.689 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.086 -7.588 8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.320 -10.219 9.517 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.928 -8.664 10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.276 -8.270 11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.768 -9.891 10.798 1.00 0.00 H new ATOM 1288 N GLY A 82 0.367 -8.999 6.406 1.00 0.00 N ATOM 1289 CA GLY A 82 1.039 -8.650 5.160 1.00 0.00 C ATOM 1290 C GLY A 82 2.531 -8.972 5.198 1.00 0.00 C ATOM 1291 O GLY A 82 3.345 -8.143 4.782 1.00 0.00 O ATOM 0 H GLY A 82 -0.073 -9.919 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.574 -9.190 4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.904 -7.587 4.962 1.00 0.00 H new ATOM 1295 N HIS A 83 2.901 -10.141 5.729 1.00 0.00 N ATOM 1296 CA HIS A 83 4.275 -10.637 5.676 1.00 0.00 C ATOM 1297 C HIS A 83 4.698 -10.861 4.212 1.00 0.00 C ATOM 1298 O HIS A 83 3.844 -11.014 3.332 1.00 0.00 O ATOM 1299 CB HIS A 83 4.406 -11.917 6.524 1.00 0.00 C ATOM 1300 CG HIS A 83 5.641 -11.938 7.393 1.00 0.00 C ATOM 1301 ND1 HIS A 83 6.733 -12.770 7.271 1.00 0.00 N ATOM 1302 CD2 HIS A 83 5.870 -11.143 8.486 1.00 0.00 C ATOM 1303 CE1 HIS A 83 7.586 -12.493 8.270 1.00 0.00 C ATOM 1304 NE2 HIS A 83 7.109 -11.496 9.038 1.00 0.00 N ATOM 0 H HIS A 83 2.255 -10.769 6.207 1.00 0.00 H new ATOM 0 HA HIS A 83 4.951 -9.895 6.100 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.524 -12.016 7.157 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.422 -12.782 5.862 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.870 -13.475 6.546 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.208 -10.375 8.858 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.525 -13.000 8.435 1.00 0.00 H new ATOM 1312 N HIS A 84 6.011 -10.914 3.947 1.00 0.00 N ATOM 1313 CA HIS A 84 6.558 -10.934 2.582 1.00 0.00 C ATOM 1314 C HIS A 84 7.513 -12.113 2.328 1.00 0.00 C ATOM 1315 O HIS A 84 7.710 -12.509 1.179 1.00 0.00 O ATOM 1316 CB HIS A 84 7.245 -9.581 2.321 1.00 0.00 C ATOM 1317 CG HIS A 84 7.748 -9.397 0.909 1.00 0.00 C ATOM 1318 ND1 HIS A 84 9.061 -9.226 0.522 1.00 0.00 N ATOM 1319 CD2 HIS A 84 6.986 -9.353 -0.229 1.00 0.00 C ATOM 1320 CE1 HIS A 84 9.088 -9.087 -0.814 1.00 0.00 C ATOM 1321 NE2 HIS A 84 7.842 -9.157 -1.323 1.00 0.00 N ATOM 0 H HIS A 84 6.725 -10.944 4.674 1.00 0.00 H new ATOM 0 HA HIS A 84 5.737 -11.083 1.881 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.542 -8.780 2.550 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.084 -9.475 3.009 1.00 0.00 H new ATOM 0 HD2 HIS A 84 5.912 -9.452 -0.276 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.984 -8.940 -1.399 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.575 -9.083 -2.305 1.00 0.00 H new ATOM 1329 N ARG A 85 8.072 -12.714 3.383 1.00 0.00 N ATOM 1330 CA ARG A 85 8.938 -13.898 3.338 1.00 0.00 C ATOM 1331 C ARG A 85 8.545 -14.803 4.504 1.00 0.00 C ATOM 1332 O ARG A 85 7.575 -14.497 5.207 1.00 0.00 O ATOM 1333 CB ARG A 85 10.424 -13.472 3.402 1.00 0.00 C ATOM 1334 CG ARG A 85 10.957 -12.777 2.136 1.00 0.00 C ATOM 1335 CD ARG A 85 10.951 -13.678 0.892 1.00 0.00 C ATOM 1336 NE ARG A 85 11.824 -14.859 1.056 1.00 0.00 N ATOM 1337 CZ ARG A 85 11.590 -16.096 0.594 1.00 0.00 C ATOM 1338 NH1 ARG A 85 10.506 -16.397 -0.112 1.00 0.00 N ATOM 1339 NH2 ARG A 85 12.445 -17.079 0.834 1.00 0.00 N ATOM 0 H ARG A 85 7.927 -12.374 4.334 1.00 0.00 H new ATOM 0 HA ARG A 85 8.812 -14.445 2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.558 -12.801 4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.032 -14.356 3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.353 -11.892 1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.975 -12.434 2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.932 -14.007 0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.279 -13.102 0.027 1.00 0.00 H new ATOM 0 HE ARG A 85 12.692 -14.719 1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.816 -15.675 -0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.363 -17.350 -0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.291 -16.899 1.375 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.257 -18.016 0.478 1.00 0.00 H new ATOM 1353 N PHE A 86 9.258 -15.909 4.720 1.00 0.00 N ATOM 1354 CA PHE A 86 8.940 -16.846 5.782 1.00 0.00 C ATOM 1355 C PHE A 86 10.129 -16.976 6.729 1.00 0.00 C ATOM 1356 O PHE A 86 11.253 -17.208 6.272 1.00 0.00 O ATOM 1357 CB PHE A 86 8.512 -18.189 5.188 1.00 0.00 C ATOM 1358 CG PHE A 86 7.604 -18.929 6.143 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.135 -19.653 7.224 1.00 0.00 C ATOM 1360 CD2 PHE A 86 6.210 -18.812 5.997 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.271 -20.266 8.144 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.347 -19.414 6.924 1.00 0.00 C ATOM 1363 CZ PHE A 86 5.881 -20.139 7.999 1.00 0.00 C ATOM 0 H PHE A 86 10.069 -16.174 4.161 1.00 0.00 H new ATOM 0 HA PHE A 86 8.099 -16.474 6.367 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.997 -18.026 4.241 1.00 0.00 H new ATOM 0 HB3 PHE A 86 9.392 -18.794 4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.205 -19.737 7.346 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.802 -18.255 5.166 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.677 -20.837 8.966 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.277 -19.320 6.811 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.220 -20.601 8.718 1.00 0.00 H new ATOM 1373 N SER A 87 9.884 -16.861 8.035 1.00 0.00 N ATOM 1374 CA SER A 87 10.935 -16.709 9.036 1.00 0.00 C ATOM 1375 C SER A 87 10.821 -17.760 10.140 1.00 0.00 C ATOM 1376 O SER A 87 9.761 -18.339 10.379 1.00 0.00 O ATOM 1377 CB SER A 87 10.871 -15.291 9.629 1.00 0.00 C ATOM 1378 OG SER A 87 10.830 -14.307 8.605 1.00 0.00 O ATOM 0 H SER A 87 8.943 -16.871 8.428 1.00 0.00 H new ATOM 0 HA SER A 87 11.899 -16.859 8.550 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.988 -15.198 10.262 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.739 -15.121 10.266 1.00 0.00 H new ATOM 0 HG SER A 87 10.788 -13.415 9.010 1.00 0.00 H new ATOM 1384 N ILE A 88 11.921 -17.987 10.850 1.00 0.00 N ATOM 1385 CA ILE A 88 11.983 -18.868 12.006 1.00 0.00 C ATOM 1386 C ILE A 88 12.222 -17.941 13.199 1.00 0.00 C ATOM 1387 O ILE A 88 13.150 -17.127 13.175 1.00 0.00 O ATOM 1388 CB ILE A 88 13.093 -19.913 11.772 1.00 0.00 C ATOM 1389 CG1 ILE A 88 12.743 -20.814 10.560 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.314 -20.770 13.028 1.00 0.00 C ATOM 1391 CD1 ILE A 88 13.975 -21.456 9.924 1.00 0.00 C ATOM 0 H ILE A 88 12.816 -17.551 10.630 1.00 0.00 H new ATOM 0 HA ILE A 88 11.078 -19.448 12.187 1.00 0.00 H new ATOM 0 HB ILE A 88 14.019 -19.380 11.556 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.056 -21.597 10.882 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.221 -20.220 9.810 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.102 -21.499 12.837 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.607 -20.129 13.859 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.390 -21.291 13.280 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.668 -22.075 9.081 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.652 -20.677 9.574 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.485 -22.075 10.662 1.00 0.00 H new ATOM 1403 N VAL A 89 11.356 -18.019 14.209 1.00 0.00 N ATOM 1404 CA VAL A 89 11.280 -17.055 15.307 1.00 0.00 C ATOM 1405 C VAL A 89 11.103 -17.803 16.637 1.00 0.00 C ATOM 1406 O VAL A 89 10.948 -19.027 16.643 1.00 0.00 O ATOM 1407 CB VAL A 89 10.153 -16.023 15.037 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.311 -15.311 13.681 1.00 0.00 C ATOM 1409 CG2 VAL A 89 8.743 -16.629 15.119 1.00 0.00 C ATOM 0 H VAL A 89 10.672 -18.771 14.289 1.00 0.00 H new ATOM 0 HA VAL A 89 12.209 -16.489 15.376 1.00 0.00 H new ATOM 0 HB VAL A 89 10.262 -15.291 15.838 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.495 -14.601 13.546 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.262 -14.779 13.658 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.288 -16.048 12.878 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.002 -15.855 14.920 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.645 -17.424 14.379 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.581 -17.039 16.116 1.00 0.00 H new ATOM 1419 N TYR A 90 11.113 -17.072 17.759 1.00 0.00 N ATOM 1420 CA TYR A 90 11.028 -17.629 19.115 1.00 0.00 C ATOM 1421 C TYR A 90 10.179 -16.735 20.037 1.00 0.00 C ATOM 1422 O TYR A 90 10.308 -16.795 21.262 1.00 0.00 O ATOM 1423 CB TYR A 90 12.452 -17.845 19.663 1.00 0.00 C ATOM 1424 CG TYR A 90 13.297 -18.743 18.777 1.00 0.00 C ATOM 1425 CD1 TYR A 90 13.061 -20.131 18.771 1.00 0.00 C ATOM 1426 CD2 TYR A 90 14.226 -18.183 17.876 1.00 0.00 C ATOM 1427 CE1 TYR A 90 13.717 -20.953 17.841 1.00 0.00 C ATOM 1428 CE2 TYR A 90 14.888 -19.002 16.944 1.00 0.00 C ATOM 1429 CZ TYR A 90 14.621 -20.390 16.911 1.00 0.00 C ATOM 1430 OH TYR A 90 15.221 -21.190 15.985 1.00 0.00 O ATOM 0 H TYR A 90 11.182 -16.054 17.749 1.00 0.00 H new ATOM 0 HA TYR A 90 10.522 -18.594 19.078 1.00 0.00 H new ATOM 0 HB2 TYR A 90 12.946 -16.879 19.768 1.00 0.00 H new ATOM 0 HB3 TYR A 90 12.390 -18.281 20.660 1.00 0.00 H new ATOM 0 HD1 TYR A 90 12.374 -20.564 19.483 1.00 0.00 H new ATOM 0 HD2 TYR A 90 14.430 -17.123 17.902 1.00 0.00 H new ATOM 0 HE1 TYR A 90 13.531 -22.017 17.836 1.00 0.00 H new ATOM 0 HE2 TYR A 90 15.599 -18.571 16.255 1.00 0.00 H new ATOM 0 HH TYR A 90 15.812 -20.650 15.420 1.00 0.00 H new ATOM 1440 N SER A 91 9.347 -15.870 19.447 1.00 0.00 N ATOM 1441 CA SER A 91 8.507 -14.895 20.131 1.00 0.00 C ATOM 1442 C SER A 91 7.631 -15.568 21.190 1.00 0.00 C ATOM 1443 O SER A 91 6.941 -16.556 20.859 1.00 0.00 O ATOM 1444 CB SER A 91 7.660 -14.152 19.090 1.00 0.00 C ATOM 1445 OG SER A 91 8.464 -13.757 17.980 1.00 0.00 O ATOM 1446 OXT SER A 91 7.620 -15.093 22.345 1.00 0.00 O ATOM 0 H SER A 91 9.240 -15.833 18.433 1.00 0.00 H new ATOM 0 HA SER A 91 9.137 -14.177 20.655 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.848 -14.794 18.748 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.202 -13.274 19.545 1.00 0.00 H new ATOM 0 HG SER A 91 7.908 -13.286 17.325 1.00 0.00 H new TER 1452 SER A 91 HETATM 1453 P PO4 A 92 13.771 -28.483 15.031 1.00 0.00 P HETATM 1454 O1 PO4 A 92 13.274 -29.777 14.550 1.00 0.00 O HETATM 1455 O2 PO4 A 92 13.224 -27.389 14.218 1.00 0.00 O HETATM 1456 O3 PO4 A 92 13.379 -28.283 16.438 1.00 0.00 O HETATM 1457 O4 PO4 A 92 15.239 -28.456 14.954 1.00 0.00 O