USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=19 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= 0.927 K(o=0.93,f=-2.9!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 62 ASN : amide:sc= 0.991 X(o=1.9,f=1.7) USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0.9 USER MOD Single : A 1 MET CE :methyl 153:sc= -0.181 (180deg=-2.26) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0831 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.24 K(o=1.2,f=-3.2!) USER MOD Single : A 4 TYR OH : rot 89:sc= 1.54 USER MOD Single : A 13 GLN : amide:sc= -1.09! C(o=-1.1!,f=-6.7!) USER MOD Single : A 19 TYR OH : rot -56:sc= 0.0152 USER MOD Single : A 22 GLN : amide:sc= -0.0714 K(o=-0.071,f=-1.3) USER MOD Single : A 23 MET CE :methyl 168:sc= -0.546 (180deg=-0.982) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 36 ASN : amide:sc= 0.343 X(o=0.34,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.639 K(o=0.64,f=-3.1!) USER MOD Single : A 54 GLN : amide:sc= 1.05 K(o=1.1,f=-0.18) USER MOD Single : A 55 SER OG : rot 86:sc= 1.26 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 122:sc= 1.39 USER MOD Single : A 68 LYS NZ :NH3+ -175:sc= 0.948 (180deg=0.935) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0617 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=-0.00232 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00194 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 USER MOD Single : A 91 SER OG : rot -60:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.055 -0.782 1.614 1.00 0.00 N ATOM 2 CA MET A 1 2.493 -0.301 0.325 1.00 0.00 C ATOM 3 C MET A 1 2.758 -1.338 -0.782 1.00 0.00 C ATOM 4 O MET A 1 3.602 -2.216 -0.598 1.00 0.00 O ATOM 5 CB MET A 1 3.045 1.094 -0.039 1.00 0.00 C ATOM 6 CG MET A 1 1.971 1.942 -0.733 1.00 0.00 C ATOM 7 SD MET A 1 2.567 3.419 -1.601 1.00 0.00 S ATOM 8 CE MET A 1 3.641 2.628 -2.829 1.00 0.00 C ATOM 0 H1 MET A 1 2.280 -0.979 2.279 1.00 0.00 H new ATOM 0 H2 MET A 1 3.602 -1.652 1.451 1.00 0.00 H new ATOM 0 H3 MET A 1 3.678 -0.052 2.015 1.00 0.00 H new ATOM 0 HA MET A 1 1.414 -0.190 0.429 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.388 1.601 0.863 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.910 0.988 -0.694 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.444 1.311 -1.449 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.242 2.253 0.015 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.712 3.262 -3.713 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.635 2.484 -2.405 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.223 1.661 -3.109 1.00 0.00 H new ATOM 20 N LEU A 2 2.042 -1.286 -1.914 1.00 0.00 N ATOM 21 CA LEU A 2 1.981 -2.368 -2.901 1.00 0.00 C ATOM 22 C LEU A 2 2.442 -1.880 -4.281 1.00 0.00 C ATOM 23 O LEU A 2 2.823 -0.721 -4.468 1.00 0.00 O ATOM 24 CB LEU A 2 0.557 -2.969 -2.940 1.00 0.00 C ATOM 25 CG LEU A 2 0.360 -4.234 -2.080 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.523 -3.963 -0.581 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.033 -4.812 -2.346 1.00 0.00 C ATOM 0 H LEU A 2 1.480 -0.475 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 2 2.668 -3.160 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -0.151 -2.209 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.308 -3.208 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 2 1.136 -4.945 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.373 -4.889 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.525 -3.581 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.214 -3.226 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.177 -5.707 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.790 -4.072 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.125 -5.069 -3.401 1.00 0.00 H new ATOM 39 N GLN A 3 2.448 -2.797 -5.246 1.00 0.00 N ATOM 40 CA GLN A 3 3.046 -2.681 -6.564 1.00 0.00 C ATOM 41 C GLN A 3 2.295 -3.611 -7.521 1.00 0.00 C ATOM 42 O GLN A 3 1.719 -4.604 -7.075 1.00 0.00 O ATOM 43 CB GLN A 3 4.517 -3.085 -6.377 1.00 0.00 C ATOM 44 CG GLN A 3 5.348 -3.327 -7.639 1.00 0.00 C ATOM 45 CD GLN A 3 6.786 -3.652 -7.243 1.00 0.00 C ATOM 46 OE1 GLN A 3 7.029 -4.483 -6.371 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.759 -2.972 -7.815 1.00 0.00 N ATOM 0 H GLN A 3 2.001 -3.704 -5.112 1.00 0.00 H new ATOM 0 HA GLN A 3 2.988 -1.679 -6.990 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.009 -2.306 -5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.543 -3.995 -5.778 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.923 -4.149 -8.216 1.00 0.00 H new ATOM 0 HG3 GLN A 3 5.325 -2.444 -8.278 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.545 -2.285 -8.538 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.727 -3.133 -7.535 1.00 0.00 H new ATOM 56 N TYR A 4 2.350 -3.349 -8.828 1.00 0.00 N ATOM 57 CA TYR A 4 1.928 -4.302 -9.853 1.00 0.00 C ATOM 58 C TYR A 4 2.948 -4.364 -10.982 1.00 0.00 C ATOM 59 O TYR A 4 3.752 -3.445 -11.164 1.00 0.00 O ATOM 60 CB TYR A 4 0.510 -3.995 -10.395 1.00 0.00 C ATOM 61 CG TYR A 4 0.280 -2.658 -11.104 1.00 0.00 C ATOM 62 CD1 TYR A 4 1.031 -2.263 -12.236 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.758 -1.818 -10.658 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.836 -1.004 -12.827 1.00 0.00 C ATOM 65 CE2 TYR A 4 -0.961 -0.557 -11.243 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.140 -0.128 -12.309 1.00 0.00 C ATOM 67 OH TYR A 4 -0.269 1.135 -12.804 1.00 0.00 O ATOM 0 H TYR A 4 2.690 -2.465 -9.206 1.00 0.00 H new ATOM 0 HA TYR A 4 1.876 -5.283 -9.380 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.239 -4.791 -11.089 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.186 -4.052 -9.558 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.764 -2.939 -12.651 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.405 -2.146 -9.858 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.433 -0.707 -13.677 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.747 0.086 -10.876 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.899 1.129 -13.555 1.00 0.00 H new ATOM 77 N ARG A 5 2.812 -5.396 -11.815 1.00 0.00 N ATOM 78 CA ARG A 5 3.236 -5.377 -13.213 1.00 0.00 C ATOM 79 C ARG A 5 2.086 -5.972 -14.020 1.00 0.00 C ATOM 80 O ARG A 5 1.420 -6.895 -13.549 1.00 0.00 O ATOM 81 CB ARG A 5 4.559 -6.141 -13.394 1.00 0.00 C ATOM 82 CG ARG A 5 5.274 -5.719 -14.690 1.00 0.00 C ATOM 83 CD ARG A 5 6.672 -6.341 -14.762 1.00 0.00 C ATOM 84 NE ARG A 5 7.463 -5.780 -15.871 1.00 0.00 N ATOM 85 CZ ARG A 5 8.714 -6.122 -16.194 1.00 0.00 C ATOM 86 NH1 ARG A 5 9.385 -7.033 -15.491 1.00 0.00 N ATOM 87 NH2 ARG A 5 9.279 -5.531 -17.238 1.00 0.00 N ATOM 0 H ARG A 5 2.397 -6.283 -11.531 1.00 0.00 H new ATOM 0 HA ARG A 5 3.443 -4.365 -13.562 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.209 -5.954 -12.540 1.00 0.00 H new ATOM 0 HB3 ARG A 5 4.363 -7.213 -13.417 1.00 0.00 H new ATOM 0 HG2 ARG A 5 4.687 -6.031 -15.554 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.351 -4.633 -14.732 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.194 -6.171 -13.821 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.584 -7.420 -14.888 1.00 0.00 H new ATOM 0 HE ARG A 5 7.015 -5.065 -16.445 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.945 -7.484 -14.689 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.339 -7.279 -15.755 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.760 -4.834 -17.772 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.233 -5.773 -17.507 1.00 0.00 H new ATOM 101 N ILE A 6 1.809 -5.422 -15.195 1.00 0.00 N ATOM 102 CA ILE A 6 0.613 -5.709 -15.983 1.00 0.00 C ATOM 103 C ILE A 6 1.068 -5.825 -17.433 1.00 0.00 C ATOM 104 O ILE A 6 1.971 -5.095 -17.850 1.00 0.00 O ATOM 105 CB ILE A 6 -0.423 -4.567 -15.796 1.00 0.00 C ATOM 106 CG1 ILE A 6 -0.938 -4.497 -14.343 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.615 -4.689 -16.766 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.733 -3.225 -14.043 1.00 0.00 C ATOM 0 H ILE A 6 2.427 -4.744 -15.641 1.00 0.00 H new ATOM 0 HA ILE A 6 0.127 -6.633 -15.668 1.00 0.00 H new ATOM 0 HB ILE A 6 0.106 -3.642 -16.027 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.567 -5.365 -14.146 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.090 -4.556 -13.661 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.310 -3.867 -16.594 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.253 -4.650 -17.794 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.126 -5.637 -16.597 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.065 -3.240 -13.005 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.100 -2.353 -14.209 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.601 -3.174 -14.701 1.00 0.00 H new ATOM 120 N ILE A 7 0.418 -6.691 -18.211 1.00 0.00 N ATOM 121 CA ILE A 7 0.608 -6.800 -19.647 1.00 0.00 C ATOM 122 C ILE A 7 -0.785 -6.919 -20.275 1.00 0.00 C ATOM 123 O ILE A 7 -1.616 -7.704 -19.810 1.00 0.00 O ATOM 124 CB ILE A 7 1.538 -7.986 -20.037 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.868 -9.038 -18.945 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.832 -7.452 -20.675 1.00 0.00 C ATOM 127 CD1 ILE A 7 3.029 -8.711 -17.986 1.00 0.00 C ATOM 0 H ILE A 7 -0.270 -7.349 -17.846 1.00 0.00 H new ATOM 0 HA ILE A 7 1.120 -5.916 -20.027 1.00 0.00 H new ATOM 0 HB ILE A 7 0.937 -8.554 -20.747 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.971 -9.199 -18.348 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.094 -9.982 -19.441 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.477 -8.288 -20.945 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.587 -6.879 -21.570 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.350 -6.809 -19.963 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.154 -9.527 -17.274 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.948 -8.585 -18.558 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.807 -7.790 -17.447 1.00 0.00 H new ATOM 139 N VAL A 8 -1.049 -6.174 -21.349 1.00 0.00 N ATOM 140 CA VAL A 8 -2.389 -5.973 -21.911 1.00 0.00 C ATOM 141 C VAL A 8 -2.360 -6.038 -23.438 1.00 0.00 C ATOM 142 O VAL A 8 -1.331 -5.755 -24.061 1.00 0.00 O ATOM 143 CB VAL A 8 -2.985 -4.625 -21.433 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.607 -4.770 -20.048 1.00 0.00 C ATOM 145 CG2 VAL A 8 -1.981 -3.464 -21.394 1.00 0.00 C ATOM 0 H VAL A 8 -0.321 -5.681 -21.866 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.029 -6.779 -21.552 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.739 -4.375 -22.180 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.019 -3.812 -19.732 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.403 -5.514 -20.083 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.844 -5.088 -19.338 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.483 -2.560 -21.048 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.167 -3.710 -20.712 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.580 -3.296 -22.393 1.00 0.00 H new ATOM 155 N ASP A 9 -3.505 -6.388 -24.024 1.00 0.00 N ATOM 156 CA ASP A 9 -3.753 -6.435 -25.462 1.00 0.00 C ATOM 157 C ASP A 9 -5.189 -5.972 -25.733 1.00 0.00 C ATOM 158 O ASP A 9 -6.036 -5.981 -24.836 1.00 0.00 O ATOM 159 CB ASP A 9 -3.530 -7.860 -25.987 1.00 0.00 C ATOM 160 CG ASP A 9 -3.822 -7.977 -27.492 1.00 0.00 C ATOM 161 OD1 ASP A 9 -3.347 -7.120 -28.269 1.00 0.00 O ATOM 162 OD2 ASP A 9 -4.517 -8.934 -27.902 1.00 0.00 O ATOM 0 H ASP A 9 -4.324 -6.660 -23.480 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.060 -5.773 -25.981 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.500 -8.159 -25.794 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.171 -8.551 -25.440 1.00 0.00 H new ATOM 167 N GLY A 10 -5.451 -5.514 -26.954 1.00 0.00 N ATOM 168 CA GLY A 10 -6.672 -4.855 -27.379 1.00 0.00 C ATOM 169 C GLY A 10 -6.267 -3.804 -28.400 1.00 0.00 C ATOM 170 O GLY A 10 -5.188 -3.898 -28.996 1.00 0.00 O ATOM 0 H GLY A 10 -4.775 -5.600 -27.713 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.367 -5.572 -27.816 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.180 -4.396 -26.531 1.00 0.00 H new ATOM 174 N ARG A 11 -7.068 -2.750 -28.558 1.00 0.00 N ATOM 175 CA ARG A 11 -6.619 -1.524 -29.222 1.00 0.00 C ATOM 176 C ARG A 11 -5.697 -0.752 -28.267 1.00 0.00 C ATOM 177 O ARG A 11 -5.964 0.402 -27.948 1.00 0.00 O ATOM 178 CB ARG A 11 -7.852 -0.736 -29.733 1.00 0.00 C ATOM 179 CG ARG A 11 -7.593 0.617 -30.433 1.00 0.00 C ATOM 180 CD ARG A 11 -6.368 0.660 -31.353 1.00 0.00 C ATOM 181 NE ARG A 11 -6.425 -0.320 -32.450 1.00 0.00 N ATOM 182 CZ ARG A 11 -5.389 -0.653 -33.233 1.00 0.00 C ATOM 183 NH1 ARG A 11 -4.194 -0.091 -33.055 1.00 0.00 N ATOM 184 NH2 ARG A 11 -5.555 -1.555 -34.195 1.00 0.00 N ATOM 0 H ARG A 11 -8.035 -2.720 -28.234 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.022 -1.731 -30.110 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.396 -1.376 -30.428 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.511 -0.555 -28.884 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.475 0.878 -31.018 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.479 1.386 -29.669 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.275 1.661 -31.775 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.471 0.479 -30.760 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.318 -0.779 -32.627 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.060 0.600 -32.317 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.413 -0.352 -33.657 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.467 -1.990 -34.334 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.770 -1.812 -34.794 1.00 0.00 H new ATOM 198 N VAL A 12 -4.637 -1.383 -27.759 1.00 0.00 N ATOM 199 CA VAL A 12 -3.802 -0.831 -26.692 1.00 0.00 C ATOM 200 C VAL A 12 -2.941 0.346 -27.149 1.00 0.00 C ATOM 201 O VAL A 12 -2.374 1.023 -26.297 1.00 0.00 O ATOM 202 CB VAL A 12 -2.955 -1.933 -26.019 1.00 0.00 C ATOM 203 CG1 VAL A 12 -3.838 -2.770 -25.092 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.215 -2.853 -27.003 1.00 0.00 C ATOM 0 H VAL A 12 -4.331 -2.301 -28.081 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.485 -0.426 -25.945 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.181 -1.414 -25.454 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.236 -3.546 -24.619 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.271 -2.128 -24.324 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.637 -3.233 -25.671 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.645 -3.597 -26.447 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.938 -3.355 -27.645 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.536 -2.260 -27.616 1.00 0.00 H new ATOM 214 N GLN A 13 -2.846 0.623 -28.452 1.00 0.00 N ATOM 215 CA GLN A 13 -2.177 1.798 -28.995 1.00 0.00 C ATOM 216 C GLN A 13 -3.141 2.401 -30.013 1.00 0.00 C ATOM 217 O GLN A 13 -3.461 1.767 -31.020 1.00 0.00 O ATOM 218 CB GLN A 13 -0.830 1.417 -29.646 1.00 0.00 C ATOM 219 CG GLN A 13 0.205 0.757 -28.716 1.00 0.00 C ATOM 220 CD GLN A 13 0.843 1.719 -27.716 1.00 0.00 C ATOM 221 OE1 GLN A 13 1.893 2.301 -27.971 1.00 0.00 O ATOM 222 NE2 GLN A 13 0.254 1.899 -26.549 1.00 0.00 N ATOM 0 H GLN A 13 -3.243 0.019 -29.172 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.938 2.518 -28.212 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.029 0.739 -30.476 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.386 2.318 -30.070 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.278 -0.053 -28.169 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.990 0.307 -29.324 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.619 1.415 -26.338 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.671 2.522 -25.858 1.00 0.00 H new ATOM 231 N GLY A 14 -3.645 3.596 -29.718 1.00 0.00 N ATOM 232 CA GLY A 14 -4.670 4.290 -30.479 1.00 0.00 C ATOM 233 C GLY A 14 -4.591 5.776 -30.149 1.00 0.00 C ATOM 234 O GLY A 14 -3.499 6.298 -29.918 1.00 0.00 O ATOM 0 H GLY A 14 -3.334 4.128 -28.905 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.523 4.130 -31.547 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.657 3.898 -30.231 1.00 0.00 H new ATOM 238 N VAL A 15 -5.731 6.466 -30.102 1.00 0.00 N ATOM 239 CA VAL A 15 -5.787 7.913 -29.863 1.00 0.00 C ATOM 240 C VAL A 15 -5.277 8.340 -28.469 1.00 0.00 C ATOM 241 O VAL A 15 -5.084 9.536 -28.247 1.00 0.00 O ATOM 242 CB VAL A 15 -7.201 8.458 -30.168 1.00 0.00 C ATOM 243 CG1 VAL A 15 -7.551 8.280 -31.655 1.00 0.00 C ATOM 244 CG2 VAL A 15 -8.298 7.803 -29.316 1.00 0.00 C ATOM 0 H VAL A 15 -6.648 6.037 -30.229 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.085 8.371 -30.560 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.169 9.517 -29.914 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.551 8.671 -31.843 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.829 8.821 -32.266 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.522 7.221 -31.911 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.266 8.230 -29.579 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.312 6.729 -29.503 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.096 7.985 -28.260 1.00 0.00 H new ATOM 254 N GLY A 16 -5.020 7.402 -27.545 1.00 0.00 N ATOM 255 CA GLY A 16 -4.392 7.674 -26.252 1.00 0.00 C ATOM 256 C GLY A 16 -2.976 7.102 -26.160 1.00 0.00 C ATOM 257 O GLY A 16 -2.443 6.998 -25.053 1.00 0.00 O ATOM 0 H GLY A 16 -5.248 6.417 -27.682 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.357 8.751 -26.087 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.005 7.249 -25.457 1.00 0.00 H new ATOM 261 N PHE A 17 -2.390 6.711 -27.303 1.00 0.00 N ATOM 262 CA PHE A 17 -1.113 6.015 -27.456 1.00 0.00 C ATOM 263 C PHE A 17 -0.906 5.026 -26.298 1.00 0.00 C ATOM 264 O PHE A 17 -1.804 4.227 -26.029 1.00 0.00 O ATOM 265 CB PHE A 17 -0.004 7.062 -27.681 1.00 0.00 C ATOM 266 CG PHE A 17 1.381 6.544 -28.047 1.00 0.00 C ATOM 267 CD1 PHE A 17 1.546 5.509 -28.990 1.00 0.00 C ATOM 268 CD2 PHE A 17 2.521 7.128 -27.456 1.00 0.00 C ATOM 269 CE1 PHE A 17 2.834 5.050 -29.319 1.00 0.00 C ATOM 270 CE2 PHE A 17 3.808 6.662 -27.782 1.00 0.00 C ATOM 271 CZ PHE A 17 3.965 5.622 -28.714 1.00 0.00 C ATOM 0 H PHE A 17 -2.832 6.888 -28.205 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.089 5.379 -28.341 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.332 7.736 -28.472 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.088 7.657 -26.772 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.680 5.067 -29.461 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.405 7.937 -26.750 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.954 4.255 -30.040 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.676 7.104 -27.316 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.953 5.264 -28.964 1.00 0.00 H new ATOM 281 N ARG A 18 0.230 5.081 -25.599 1.00 0.00 N ATOM 282 CA ARG A 18 0.431 4.408 -24.311 1.00 0.00 C ATOM 283 C ARG A 18 0.177 5.340 -23.128 1.00 0.00 C ATOM 284 O ARG A 18 0.094 4.856 -22.003 1.00 0.00 O ATOM 285 CB ARG A 18 1.846 3.793 -24.235 1.00 0.00 C ATOM 286 CG ARG A 18 3.001 4.771 -24.512 1.00 0.00 C ATOM 287 CD ARG A 18 4.281 4.031 -24.929 1.00 0.00 C ATOM 288 NE ARG A 18 4.115 3.374 -26.240 1.00 0.00 N ATOM 289 CZ ARG A 18 4.994 2.572 -26.846 1.00 0.00 C ATOM 290 NH1 ARG A 18 6.163 2.294 -26.283 1.00 0.00 N ATOM 291 NH2 ARG A 18 4.671 2.042 -28.018 1.00 0.00 N ATOM 0 H ARG A 18 1.048 5.601 -25.915 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.303 3.605 -24.246 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.985 3.363 -23.243 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.907 2.972 -24.950 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.709 5.466 -25.299 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.198 5.365 -23.619 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.112 4.734 -24.975 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.535 3.286 -24.175 1.00 0.00 H new ATOM 0 HE ARG A 18 3.240 3.550 -26.733 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.400 2.695 -25.375 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.824 1.680 -26.758 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.766 2.250 -28.440 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.328 1.427 -28.498 1.00 0.00 H new ATOM 305 N TYR A 19 0.062 6.656 -23.332 1.00 0.00 N ATOM 306 CA TYR A 19 -0.090 7.576 -22.210 1.00 0.00 C ATOM 307 C TYR A 19 -1.450 7.441 -21.524 1.00 0.00 C ATOM 308 O TYR A 19 -1.565 7.916 -20.397 1.00 0.00 O ATOM 309 CB TYR A 19 0.224 9.028 -22.603 1.00 0.00 C ATOM 310 CG TYR A 19 -0.498 9.582 -23.817 1.00 0.00 C ATOM 311 CD1 TYR A 19 -1.857 9.948 -23.740 1.00 0.00 C ATOM 312 CD2 TYR A 19 0.214 9.781 -25.015 1.00 0.00 C ATOM 313 CE1 TYR A 19 -2.512 10.482 -24.865 1.00 0.00 C ATOM 314 CE2 TYR A 19 -0.433 10.314 -26.144 1.00 0.00 C ATOM 315 CZ TYR A 19 -1.802 10.659 -26.078 1.00 0.00 C ATOM 316 OH TYR A 19 -2.417 11.167 -27.182 1.00 0.00 O ATOM 0 H TYR A 19 0.071 7.099 -24.251 1.00 0.00 H new ATOM 0 HA TYR A 19 0.656 7.286 -21.470 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.006 9.667 -21.751 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.296 9.107 -22.781 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.398 9.818 -22.814 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.261 9.523 -25.067 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.555 10.757 -24.804 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.117 10.460 -27.062 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.200 10.620 -27.402 1.00 0.00 H new ATOM 326 N PHE A 20 -2.464 6.795 -22.123 1.00 0.00 N ATOM 327 CA PHE A 20 -3.766 6.643 -21.468 1.00 0.00 C ATOM 328 C PHE A 20 -3.639 5.990 -20.094 1.00 0.00 C ATOM 329 O PHE A 20 -4.169 6.529 -19.123 1.00 0.00 O ATOM 330 CB PHE A 20 -4.793 5.924 -22.362 1.00 0.00 C ATOM 331 CG PHE A 20 -4.786 4.399 -22.344 1.00 0.00 C ATOM 332 CD1 PHE A 20 -3.962 3.677 -23.228 1.00 0.00 C ATOM 333 CD2 PHE A 20 -5.619 3.696 -21.444 1.00 0.00 C ATOM 334 CE1 PHE A 20 -3.997 2.270 -23.233 1.00 0.00 C ATOM 335 CE2 PHE A 20 -5.667 2.288 -21.458 1.00 0.00 C ATOM 336 CZ PHE A 20 -4.864 1.576 -22.369 1.00 0.00 C ATOM 0 H PHE A 20 -2.405 6.375 -23.051 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.153 7.649 -21.306 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.788 6.261 -22.071 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.633 6.250 -23.390 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.303 4.203 -23.903 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.225 4.244 -20.738 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.354 1.720 -23.904 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.315 1.759 -20.775 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.913 0.498 -22.405 1.00 0.00 H new ATOM 346 N VAL A 21 -2.891 4.891 -19.962 1.00 0.00 N ATOM 347 CA VAL A 21 -2.728 4.274 -18.659 1.00 0.00 C ATOM 348 C VAL A 21 -1.926 5.188 -17.739 1.00 0.00 C ATOM 349 O VAL A 21 -2.238 5.271 -16.560 1.00 0.00 O ATOM 350 CB VAL A 21 -2.125 2.867 -18.764 1.00 0.00 C ATOM 351 CG1 VAL A 21 -3.068 1.926 -19.516 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.751 2.798 -19.429 1.00 0.00 C ATOM 0 H VAL A 21 -2.402 4.425 -20.726 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.715 4.142 -18.215 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.992 2.557 -17.728 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.619 0.935 -19.578 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.018 1.862 -18.985 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.240 2.310 -20.522 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.411 1.763 -19.455 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.819 3.183 -20.446 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.041 3.399 -18.860 1.00 0.00 H new ATOM 362 N GLN A 22 -0.942 5.931 -18.245 1.00 0.00 N ATOM 363 CA GLN A 22 -0.171 6.817 -17.386 1.00 0.00 C ATOM 364 C GLN A 22 -1.038 7.995 -16.894 1.00 0.00 C ATOM 365 O GLN A 22 -0.833 8.483 -15.782 1.00 0.00 O ATOM 366 CB GLN A 22 1.131 7.224 -18.102 1.00 0.00 C ATOM 367 CG GLN A 22 2.291 7.500 -17.132 1.00 0.00 C ATOM 368 CD GLN A 22 2.684 6.275 -16.290 1.00 0.00 C ATOM 369 OE1 GLN A 22 2.124 6.028 -15.228 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.647 5.471 -16.707 1.00 0.00 N ATOM 0 H GLN A 22 -0.666 5.936 -19.227 1.00 0.00 H new ATOM 0 HA GLN A 22 0.134 6.300 -16.476 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.422 6.432 -18.792 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.946 8.116 -18.701 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.159 7.835 -17.700 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.012 8.316 -16.465 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.124 5.661 -17.588 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.913 4.661 -16.147 1.00 0.00 H new ATOM 379 N MET A 23 -2.053 8.410 -17.664 1.00 0.00 N ATOM 380 CA MET A 23 -3.030 9.407 -17.232 1.00 0.00 C ATOM 381 C MET A 23 -3.945 8.808 -16.154 1.00 0.00 C ATOM 382 O MET A 23 -4.217 9.459 -15.147 1.00 0.00 O ATOM 383 CB MET A 23 -3.791 10.021 -18.437 1.00 0.00 C ATOM 384 CG MET A 23 -5.279 9.659 -18.575 1.00 0.00 C ATOM 385 SD MET A 23 -6.211 10.627 -19.794 1.00 0.00 S ATOM 386 CE MET A 23 -5.976 9.591 -21.260 1.00 0.00 C ATOM 0 H MET A 23 -2.216 8.059 -18.608 1.00 0.00 H new ATOM 0 HA MET A 23 -2.511 10.248 -16.772 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.710 11.106 -18.373 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.281 9.717 -19.351 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.355 8.604 -18.840 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.755 9.778 -17.602 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.653 9.918 -22.049 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.946 9.678 -21.606 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.188 8.552 -21.009 1.00 0.00 H new ATOM 396 N GLU A 24 -4.402 7.564 -16.329 1.00 0.00 N ATOM 397 CA GLU A 24 -5.255 6.904 -15.345 1.00 0.00 C ATOM 398 C GLU A 24 -4.471 6.650 -14.049 1.00 0.00 C ATOM 399 O GLU A 24 -5.011 6.803 -12.953 1.00 0.00 O ATOM 400 CB GLU A 24 -5.849 5.609 -15.931 1.00 0.00 C ATOM 401 CG GLU A 24 -6.850 5.860 -17.076 1.00 0.00 C ATOM 402 CD GLU A 24 -8.118 6.580 -16.592 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.946 5.938 -15.909 1.00 0.00 O ATOM 404 OE2 GLU A 24 -8.289 7.785 -16.880 1.00 0.00 O ATOM 0 H GLU A 24 -4.192 6.994 -17.149 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.091 7.557 -15.097 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.038 4.979 -16.298 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.348 5.055 -15.136 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.370 6.456 -17.852 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.126 4.908 -17.530 1.00 0.00 H new ATOM 411 N ALA A 25 -3.180 6.331 -14.162 1.00 0.00 N ATOM 412 CA ALA A 25 -2.267 6.180 -13.043 1.00 0.00 C ATOM 413 C ALA A 25 -2.128 7.504 -12.294 1.00 0.00 C ATOM 414 O ALA A 25 -2.235 7.522 -11.069 1.00 0.00 O ATOM 415 CB ALA A 25 -0.909 5.706 -13.570 1.00 0.00 C ATOM 0 H ALA A 25 -2.734 6.167 -15.065 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.657 5.440 -12.344 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.216 5.590 -12.737 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.030 4.749 -14.078 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.514 6.442 -14.271 1.00 0.00 H new ATOM 421 N ASP A 26 -1.939 8.615 -13.015 1.00 0.00 N ATOM 422 CA ASP A 26 -1.878 9.951 -12.423 1.00 0.00 C ATOM 423 C ASP A 26 -3.170 10.298 -11.685 1.00 0.00 C ATOM 424 O ASP A 26 -3.106 10.835 -10.579 1.00 0.00 O ATOM 425 CB ASP A 26 -1.565 11.010 -13.486 1.00 0.00 C ATOM 426 CG ASP A 26 -1.702 12.431 -12.910 1.00 0.00 C ATOM 427 OD1 ASP A 26 -0.790 12.892 -12.190 1.00 0.00 O ATOM 428 OD2 ASP A 26 -2.714 13.106 -13.203 1.00 0.00 O ATOM 0 H ASP A 26 -1.824 8.610 -14.028 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.068 9.946 -11.694 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.553 10.863 -13.863 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.241 10.891 -14.333 1.00 0.00 H new ATOM 433 N LYS A 27 -4.338 9.924 -12.224 1.00 0.00 N ATOM 434 CA LYS A 27 -5.620 10.133 -11.544 1.00 0.00 C ATOM 435 C LYS A 27 -5.617 9.457 -10.170 1.00 0.00 C ATOM 436 O LYS A 27 -6.085 10.031 -9.188 1.00 0.00 O ATOM 437 CB LYS A 27 -6.798 9.692 -12.447 1.00 0.00 C ATOM 438 CG LYS A 27 -7.622 8.495 -11.927 1.00 0.00 C ATOM 439 CD LYS A 27 -8.508 7.901 -13.011 1.00 0.00 C ATOM 440 CE LYS A 27 -9.172 6.617 -12.498 1.00 0.00 C ATOM 441 NZ LYS A 27 -10.174 6.100 -13.460 1.00 0.00 N ATOM 0 H LYS A 27 -4.420 9.472 -13.135 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.762 11.198 -11.360 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.468 10.541 -12.581 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.404 9.439 -13.431 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.947 7.727 -11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.240 8.817 -11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.270 8.622 -13.305 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.915 7.684 -13.899 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.410 5.858 -12.322 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.654 6.813 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.492 5.157 -13.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.989 6.746 -13.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.746 6.034 -14.405 1.00 0.00 H new ATOM 455 N ARG A 28 -5.072 8.238 -10.103 1.00 0.00 N ATOM 456 CA ARG A 28 -4.987 7.444 -8.876 1.00 0.00 C ATOM 457 C ARG A 28 -3.740 7.796 -8.056 1.00 0.00 C ATOM 458 O ARG A 28 -3.504 7.166 -7.025 1.00 0.00 O ATOM 459 CB ARG A 28 -5.023 5.938 -9.223 1.00 0.00 C ATOM 460 CG ARG A 28 -6.368 5.377 -9.723 1.00 0.00 C ATOM 461 CD ARG A 28 -7.618 5.797 -8.930 1.00 0.00 C ATOM 462 NE ARG A 28 -7.452 5.624 -7.469 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.377 5.190 -6.599 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.618 4.925 -6.992 1.00 0.00 N ATOM 465 NH2 ARG A 28 -8.042 5.009 -5.326 1.00 0.00 N ATOM 0 H ARG A 28 -4.671 7.769 -10.915 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.850 7.682 -8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.269 5.746 -9.986 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.728 5.377 -8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.502 5.683 -10.761 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.308 4.289 -9.717 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.846 6.841 -9.145 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.472 5.209 -9.267 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.538 5.860 -7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.881 5.051 -7.969 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.308 4.596 -6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.089 5.200 -5.017 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.738 4.679 -4.657 1.00 0.00 H new ATOM 479 N LYS A 29 -2.948 8.783 -8.488 1.00 0.00 N ATOM 480 CA LYS A 29 -1.645 9.150 -7.937 1.00 0.00 C ATOM 481 C LYS A 29 -0.731 7.933 -7.713 1.00 0.00 C ATOM 482 O LYS A 29 0.034 7.884 -6.748 1.00 0.00 O ATOM 483 CB LYS A 29 -1.805 10.056 -6.699 1.00 0.00 C ATOM 484 CG LYS A 29 -2.598 11.340 -6.999 1.00 0.00 C ATOM 485 CD LYS A 29 -2.670 12.245 -5.762 1.00 0.00 C ATOM 486 CE LYS A 29 -3.470 13.514 -6.087 1.00 0.00 C ATOM 487 NZ LYS A 29 -3.571 14.428 -4.922 1.00 0.00 N ATOM 0 H LYS A 29 -3.215 9.377 -9.273 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.120 9.745 -8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.309 9.499 -5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.819 10.324 -6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.127 11.879 -7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.606 11.081 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.140 11.710 -4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.664 12.512 -5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.996 14.038 -6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.471 13.236 -6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.119 15.271 -5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.047 13.939 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.617 14.716 -4.623 1.00 0.00 H new ATOM 501 N LEU A 30 -0.815 6.945 -8.607 1.00 0.00 N ATOM 502 CA LEU A 30 0.194 5.899 -8.756 1.00 0.00 C ATOM 503 C LEU A 30 1.468 6.530 -9.341 1.00 0.00 C ATOM 504 O LEU A 30 1.436 7.684 -9.770 1.00 0.00 O ATOM 505 CB LEU A 30 -0.363 4.805 -9.689 1.00 0.00 C ATOM 506 CG LEU A 30 -1.575 4.032 -9.137 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.991 2.960 -10.142 1.00 0.00 C ATOM 508 CD2 LEU A 30 -1.289 3.379 -7.785 1.00 0.00 C ATOM 0 H LEU A 30 -1.597 6.850 -9.255 1.00 0.00 H new ATOM 0 HA LEU A 30 0.437 5.446 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.646 5.266 -10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.434 4.094 -9.906 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.380 4.751 -8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.849 2.411 -9.754 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.259 3.432 -11.087 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.162 2.271 -10.303 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.177 2.848 -7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.463 2.676 -7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.023 4.147 -7.059 1.00 0.00 H new ATOM 520 N ALA A 31 2.580 5.792 -9.407 1.00 0.00 N ATOM 521 CA ALA A 31 3.799 6.220 -10.101 1.00 0.00 C ATOM 522 C ALA A 31 4.501 4.967 -10.623 1.00 0.00 C ATOM 523 O ALA A 31 4.518 3.957 -9.916 1.00 0.00 O ATOM 524 CB ALA A 31 4.697 6.984 -9.119 1.00 0.00 C ATOM 0 H ALA A 31 2.660 4.871 -8.976 1.00 0.00 H new ATOM 0 HA ALA A 31 3.568 6.883 -10.935 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.605 7.304 -9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.164 7.858 -8.743 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.960 6.333 -8.285 1.00 0.00 H new ATOM 530 N GLY A 32 5.046 5.009 -11.844 1.00 0.00 N ATOM 531 CA GLY A 32 5.424 3.801 -12.571 1.00 0.00 C ATOM 532 C GLY A 32 5.815 4.075 -14.024 1.00 0.00 C ATOM 533 O GLY A 32 6.016 5.234 -14.393 1.00 0.00 O ATOM 0 H GLY A 32 5.234 5.875 -12.349 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.259 3.323 -12.060 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.592 3.097 -12.551 1.00 0.00 H new ATOM 537 N TRP A 33 5.892 3.030 -14.862 1.00 0.00 N ATOM 538 CA TRP A 33 6.221 3.119 -16.285 1.00 0.00 C ATOM 539 C TRP A 33 5.143 2.485 -17.172 1.00 0.00 C ATOM 540 O TRP A 33 4.390 1.622 -16.712 1.00 0.00 O ATOM 541 CB TRP A 33 7.622 2.542 -16.589 1.00 0.00 C ATOM 542 CG TRP A 33 7.896 1.052 -16.561 1.00 0.00 C ATOM 543 CD1 TRP A 33 7.159 0.057 -17.122 1.00 0.00 C ATOM 544 CD2 TRP A 33 9.091 0.381 -16.045 1.00 0.00 C ATOM 545 NE1 TRP A 33 7.795 -1.160 -16.970 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.008 -1.015 -16.339 1.00 0.00 C ATOM 547 CE3 TRP A 33 10.258 0.820 -15.381 1.00 0.00 C ATOM 548 CZ2 TRP A 33 10.025 -1.921 -16.001 1.00 0.00 C ATOM 549 CZ3 TRP A 33 11.285 -0.079 -15.033 1.00 0.00 C ATOM 550 CH2 TRP A 33 11.172 -1.447 -15.342 1.00 0.00 C ATOM 0 H TRP A 33 5.721 2.073 -14.555 1.00 0.00 H new ATOM 0 HA TRP A 33 6.248 4.180 -16.532 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.899 2.895 -17.582 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.313 3.003 -15.883 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.210 0.198 -17.617 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.414 -2.052 -17.285 1.00 0.00 H new ATOM 0 HE3 TRP A 33 10.365 1.866 -15.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.927 -2.969 -16.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.166 0.285 -14.525 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.964 -2.130 -15.074 1.00 0.00 H new ATOM 561 N VAL A 34 5.131 2.854 -18.459 1.00 0.00 N ATOM 562 CA VAL A 34 4.405 2.140 -19.520 1.00 0.00 C ATOM 563 C VAL A 34 5.328 1.952 -20.734 1.00 0.00 C ATOM 564 O VAL A 34 6.140 2.831 -21.043 1.00 0.00 O ATOM 565 CB VAL A 34 3.066 2.840 -19.831 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.235 4.261 -20.379 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.217 1.999 -20.796 1.00 0.00 C ATOM 0 H VAL A 34 5.635 3.673 -18.800 1.00 0.00 H new ATOM 0 HA VAL A 34 4.128 1.139 -19.189 1.00 0.00 H new ATOM 0 HB VAL A 34 2.548 2.930 -18.876 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.254 4.694 -20.576 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.762 4.873 -19.647 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.809 4.228 -21.305 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.278 2.515 -20.999 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.762 1.856 -21.729 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.008 1.029 -20.345 1.00 0.00 H new ATOM 577 N LYS A 35 5.228 0.801 -21.410 1.00 0.00 N ATOM 578 CA LYS A 35 6.089 0.392 -22.528 1.00 0.00 C ATOM 579 C LYS A 35 5.283 -0.467 -23.509 1.00 0.00 C ATOM 580 O LYS A 35 4.180 -0.899 -23.174 1.00 0.00 O ATOM 581 CB LYS A 35 7.301 -0.425 -22.032 1.00 0.00 C ATOM 582 CG LYS A 35 7.880 -0.034 -20.658 1.00 0.00 C ATOM 583 CD LYS A 35 9.198 -0.761 -20.362 1.00 0.00 C ATOM 584 CE LYS A 35 8.975 -2.272 -20.201 1.00 0.00 C ATOM 585 NZ LYS A 35 10.216 -3.052 -20.400 1.00 0.00 N ATOM 0 H LYS A 35 4.519 0.103 -21.186 1.00 0.00 H new ATOM 0 HA LYS A 35 6.452 1.294 -23.020 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.011 -1.475 -21.994 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.096 -0.340 -22.773 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.045 1.043 -20.627 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.154 -0.267 -19.879 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.906 -0.579 -21.171 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.643 -0.357 -19.452 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.579 -2.474 -19.206 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.223 -2.603 -20.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.012 -4.065 -20.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.582 -2.883 -21.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.927 -2.757 -19.701 1.00 0.00 H new ATOM 599 N ASN A 36 5.843 -0.801 -24.676 1.00 0.00 N ATOM 600 CA ASN A 36 5.276 -1.788 -25.600 1.00 0.00 C ATOM 601 C ASN A 36 6.333 -2.857 -25.854 1.00 0.00 C ATOM 602 O ASN A 36 7.399 -2.554 -26.387 1.00 0.00 O ATOM 603 CB ASN A 36 4.839 -1.116 -26.907 1.00 0.00 C ATOM 604 CG ASN A 36 4.445 -2.110 -28.001 1.00 0.00 C ATOM 605 OD1 ASN A 36 4.896 -1.998 -29.136 1.00 0.00 O ATOM 606 ND2 ASN A 36 3.583 -3.073 -27.717 1.00 0.00 N ATOM 0 H ASN A 36 6.714 -0.388 -25.010 1.00 0.00 H new ATOM 0 HA ASN A 36 4.388 -2.247 -25.166 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.994 -0.458 -26.703 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.651 -0.488 -27.273 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.291 -3.726 -28.444 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.211 -3.162 -26.771 1.00 0.00 H new ATOM 613 N ARG A 37 6.071 -4.092 -25.427 1.00 0.00 N ATOM 614 CA ARG A 37 7.036 -5.184 -25.539 1.00 0.00 C ATOM 615 C ARG A 37 7.080 -5.652 -26.990 1.00 0.00 C ATOM 616 O ARG A 37 6.075 -5.579 -27.699 1.00 0.00 O ATOM 617 CB ARG A 37 6.638 -6.341 -24.603 1.00 0.00 C ATOM 618 CG ARG A 37 6.720 -5.941 -23.120 1.00 0.00 C ATOM 619 CD ARG A 37 6.231 -7.057 -22.187 1.00 0.00 C ATOM 620 NE ARG A 37 7.136 -8.221 -22.178 1.00 0.00 N ATOM 621 CZ ARG A 37 8.211 -8.384 -21.393 1.00 0.00 C ATOM 622 NH1 ARG A 37 8.579 -7.453 -20.515 1.00 0.00 N ATOM 623 NH2 ARG A 37 8.927 -9.500 -21.496 1.00 0.00 N ATOM 0 H ARG A 37 5.187 -4.362 -24.995 1.00 0.00 H new ATOM 0 HA ARG A 37 8.026 -4.838 -25.242 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.623 -6.662 -24.836 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.291 -7.194 -24.784 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.751 -5.688 -22.871 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.123 -5.044 -22.954 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.138 -6.665 -21.174 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.236 -7.376 -22.498 1.00 0.00 H new ATOM 0 HE ARG A 37 6.924 -8.975 -22.832 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.039 -6.592 -20.428 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.401 -7.601 -19.929 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.656 -10.220 -22.166 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.747 -9.636 -20.905 1.00 0.00 H new ATOM 637 N ASP A 38 8.223 -6.200 -27.408 1.00 0.00 N ATOM 638 CA ASP A 38 8.428 -6.710 -28.767 1.00 0.00 C ATOM 639 C ASP A 38 7.443 -7.834 -29.114 1.00 0.00 C ATOM 640 O ASP A 38 7.066 -7.993 -30.275 1.00 0.00 O ATOM 641 CB ASP A 38 9.868 -7.212 -28.918 1.00 0.00 C ATOM 642 CG ASP A 38 10.118 -7.802 -30.316 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.212 -7.029 -31.297 1.00 0.00 O ATOM 644 OD2 ASP A 38 10.266 -9.039 -30.439 1.00 0.00 O ATOM 0 H ASP A 38 9.041 -6.304 -26.807 1.00 0.00 H new ATOM 0 HA ASP A 38 8.246 -5.889 -29.461 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.561 -6.390 -28.740 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.071 -7.970 -28.161 1.00 0.00 H new ATOM 649 N ASP A 39 6.989 -8.585 -28.103 1.00 0.00 N ATOM 650 CA ASP A 39 5.982 -9.639 -28.253 1.00 0.00 C ATOM 651 C ASP A 39 4.634 -9.098 -28.752 1.00 0.00 C ATOM 652 O ASP A 39 3.885 -9.823 -29.409 1.00 0.00 O ATOM 653 CB ASP A 39 5.790 -10.359 -26.913 1.00 0.00 C ATOM 654 CG ASP A 39 4.763 -11.498 -27.030 1.00 0.00 C ATOM 655 OD1 ASP A 39 5.081 -12.545 -27.638 1.00 0.00 O ATOM 656 OD2 ASP A 39 3.646 -11.368 -26.480 1.00 0.00 O ATOM 0 H ASP A 39 7.317 -8.475 -27.144 1.00 0.00 H new ATOM 0 HA ASP A 39 6.348 -10.336 -29.007 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.745 -10.761 -26.574 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.459 -9.645 -26.159 1.00 0.00 H new ATOM 661 N GLY A 40 4.331 -7.823 -28.470 1.00 0.00 N ATOM 662 CA GLY A 40 3.164 -7.106 -28.976 1.00 0.00 C ATOM 663 C GLY A 40 2.358 -6.441 -27.860 1.00 0.00 C ATOM 664 O GLY A 40 1.704 -5.426 -28.106 1.00 0.00 O ATOM 0 H GLY A 40 4.915 -7.248 -27.862 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.488 -6.347 -29.688 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.523 -7.800 -29.520 1.00 0.00 H new ATOM 668 N ARG A 41 2.406 -6.988 -26.637 1.00 0.00 N ATOM 669 CA ARG A 41 1.655 -6.470 -25.488 1.00 0.00 C ATOM 670 C ARG A 41 2.090 -5.040 -25.173 1.00 0.00 C ATOM 671 O ARG A 41 3.260 -4.689 -25.357 1.00 0.00 O ATOM 672 CB ARG A 41 1.885 -7.348 -24.240 1.00 0.00 C ATOM 673 CG ARG A 41 1.574 -8.849 -24.383 1.00 0.00 C ATOM 674 CD ARG A 41 0.093 -9.179 -24.611 1.00 0.00 C ATOM 675 NE ARG A 41 -0.716 -9.000 -23.388 1.00 0.00 N ATOM 676 CZ ARG A 41 -1.864 -9.639 -23.113 1.00 0.00 C ATOM 677 NH1 ARG A 41 -2.418 -10.470 -23.986 1.00 0.00 N ATOM 678 NH2 ARG A 41 -2.495 -9.466 -21.959 1.00 0.00 N ATOM 0 H ARG A 41 2.971 -7.808 -26.417 1.00 0.00 H new ATOM 0 HA ARG A 41 0.596 -6.486 -25.747 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.927 -7.244 -23.938 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.277 -6.950 -23.428 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.153 -9.248 -25.216 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.912 -9.363 -23.484 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.302 -8.541 -25.402 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.002 -10.209 -24.957 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.374 -8.335 -22.694 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.971 -10.634 -24.888 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.291 -10.945 -23.755 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.109 -8.835 -21.256 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.366 -9.963 -21.774 1.00 0.00 H new ATOM 692 N VAL A 42 1.202 -4.231 -24.607 1.00 0.00 N ATOM 693 CA VAL A 42 1.646 -3.092 -23.806 1.00 0.00 C ATOM 694 C VAL A 42 1.918 -3.641 -22.408 1.00 0.00 C ATOM 695 O VAL A 42 1.279 -4.604 -21.983 1.00 0.00 O ATOM 696 CB VAL A 42 0.609 -1.952 -23.872 1.00 0.00 C ATOM 697 CG1 VAL A 42 0.714 -0.942 -22.716 1.00 0.00 C ATOM 698 CG2 VAL A 42 0.792 -1.213 -25.203 1.00 0.00 C ATOM 0 H VAL A 42 0.190 -4.337 -24.684 1.00 0.00 H new ATOM 0 HA VAL A 42 2.562 -2.633 -24.179 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.377 -2.410 -23.787 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.049 -0.172 -22.835 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.564 -1.458 -21.767 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.701 -0.479 -22.726 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.068 -0.401 -25.271 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.801 -0.804 -25.257 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.638 -1.907 -26.029 1.00 0.00 H new ATOM 708 N GLU A 43 2.864 -3.032 -21.701 1.00 0.00 N ATOM 709 CA GLU A 43 3.286 -3.417 -20.366 1.00 0.00 C ATOM 710 C GLU A 43 3.228 -2.170 -19.493 1.00 0.00 C ATOM 711 O GLU A 43 3.530 -1.070 -19.962 1.00 0.00 O ATOM 712 CB GLU A 43 4.714 -3.978 -20.434 1.00 0.00 C ATOM 713 CG GLU A 43 5.214 -4.537 -19.093 1.00 0.00 C ATOM 714 CD GLU A 43 6.734 -4.451 -18.951 1.00 0.00 C ATOM 715 OE1 GLU A 43 7.476 -5.039 -19.769 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.210 -3.820 -17.977 1.00 0.00 O ATOM 0 H GLU A 43 3.376 -2.226 -22.059 1.00 0.00 H new ATOM 0 HA GLU A 43 2.640 -4.189 -19.947 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.751 -4.767 -21.185 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.391 -3.190 -20.766 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.745 -3.988 -18.277 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.902 -5.577 -18.998 1.00 0.00 H new ATOM 723 N ILE A 44 2.866 -2.344 -18.225 1.00 0.00 N ATOM 724 CA ILE A 44 2.737 -1.292 -17.242 1.00 0.00 C ATOM 725 C ILE A 44 3.391 -1.820 -15.959 1.00 0.00 C ATOM 726 O ILE A 44 3.292 -3.011 -15.653 1.00 0.00 O ATOM 727 CB ILE A 44 1.245 -0.953 -17.002 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.311 -1.198 -18.217 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.131 0.499 -16.498 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.170 -0.949 -17.919 1.00 0.00 C ATOM 0 H ILE A 44 2.647 -3.265 -17.846 1.00 0.00 H new ATOM 0 HA ILE A 44 3.219 -0.374 -17.577 1.00 0.00 H new ATOM 0 HB ILE A 44 0.889 -1.653 -16.246 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.621 -0.551 -19.038 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.436 -2.226 -18.558 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.083 0.744 -16.327 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.685 0.605 -15.565 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.545 1.177 -17.245 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.759 -1.141 -18.816 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.497 -1.615 -17.121 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.310 0.086 -17.608 1.00 0.00 H new ATOM 742 N LEU A 45 4.010 -0.939 -15.182 1.00 0.00 N ATOM 743 CA LEU A 45 4.593 -1.230 -13.873 1.00 0.00 C ATOM 744 C LEU A 45 4.284 -0.008 -13.015 1.00 0.00 C ATOM 745 O LEU A 45 4.391 1.091 -13.552 1.00 0.00 O ATOM 746 CB LEU A 45 6.116 -1.383 -14.041 1.00 0.00 C ATOM 747 CG LEU A 45 6.855 -1.698 -12.727 1.00 0.00 C ATOM 748 CD1 LEU A 45 6.971 -3.208 -12.506 1.00 0.00 C ATOM 749 CD2 LEU A 45 8.255 -1.074 -12.723 1.00 0.00 C ATOM 0 H LEU A 45 4.125 0.037 -15.455 1.00 0.00 H new ATOM 0 HA LEU A 45 4.200 -2.143 -13.426 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.315 -2.178 -14.759 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.520 -0.463 -14.463 1.00 0.00 H new ATOM 0 HG LEU A 45 6.269 -1.267 -11.915 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.497 -3.399 -11.571 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.974 -3.646 -12.458 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.524 -3.655 -13.332 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.756 -1.311 -11.785 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.834 -1.475 -13.555 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.171 0.008 -12.827 1.00 0.00 H new ATOM 761 N ALA A 46 3.895 -0.147 -11.745 1.00 0.00 N ATOM 762 CA ALA A 46 3.767 0.985 -10.834 1.00 0.00 C ATOM 763 C ALA A 46 3.752 0.515 -9.381 1.00 0.00 C ATOM 764 O ALA A 46 3.519 -0.665 -9.105 1.00 0.00 O ATOM 765 CB ALA A 46 2.462 1.740 -11.113 1.00 0.00 C ATOM 0 H ALA A 46 3.661 -1.046 -11.324 1.00 0.00 H new ATOM 0 HA ALA A 46 4.623 1.640 -10.994 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.376 2.583 -10.428 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.466 2.106 -12.140 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.615 1.068 -10.970 1.00 0.00 H new ATOM 771 N GLU A 47 3.862 1.473 -8.458 1.00 0.00 N ATOM 772 CA GLU A 47 3.620 1.292 -7.033 1.00 0.00 C ATOM 773 C GLU A 47 2.540 2.265 -6.545 1.00 0.00 C ATOM 774 O GLU A 47 2.318 3.319 -7.152 1.00 0.00 O ATOM 775 CB GLU A 47 4.925 1.377 -6.223 1.00 0.00 C ATOM 776 CG GLU A 47 5.693 2.706 -6.312 1.00 0.00 C ATOM 777 CD GLU A 47 6.834 2.761 -5.276 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.849 2.046 -5.449 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.715 3.520 -4.288 1.00 0.00 O ATOM 0 H GLU A 47 4.132 2.428 -8.695 1.00 0.00 H new ATOM 0 HA GLU A 47 3.236 0.285 -6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.691 1.186 -5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.586 0.576 -6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.103 2.826 -7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.007 3.537 -6.146 1.00 0.00 H new ATOM 786 N GLY A 48 1.857 1.894 -5.457 1.00 0.00 N ATOM 787 CA GLY A 48 0.790 2.668 -4.836 1.00 0.00 C ATOM 788 C GLY A 48 0.034 1.843 -3.790 1.00 0.00 C ATOM 789 O GLY A 48 0.384 0.685 -3.549 1.00 0.00 O ATOM 0 H GLY A 48 2.042 1.016 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.210 3.557 -4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.095 3.011 -5.602 1.00 0.00 H new ATOM 793 N PRO A 49 -0.981 2.417 -3.125 1.00 0.00 N ATOM 794 CA PRO A 49 -1.815 1.687 -2.181 1.00 0.00 C ATOM 795 C PRO A 49 -2.752 0.719 -2.914 1.00 0.00 C ATOM 796 O PRO A 49 -3.087 0.925 -4.083 1.00 0.00 O ATOM 797 CB PRO A 49 -2.565 2.762 -1.389 1.00 0.00 C ATOM 798 CG PRO A 49 -2.655 3.935 -2.363 1.00 0.00 C ATOM 799 CD PRO A 49 -1.391 3.808 -3.219 1.00 0.00 C ATOM 0 HA PRO A 49 -1.233 1.056 -1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.553 2.418 -1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.029 3.037 -0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.557 3.878 -2.973 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.686 4.889 -1.836 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.591 4.087 -4.254 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.606 4.471 -2.856 1.00 0.00 H new ATOM 807 N GLU A 50 -3.207 -0.324 -2.214 1.00 0.00 N ATOM 808 CA GLU A 50 -3.962 -1.434 -2.799 1.00 0.00 C ATOM 809 C GLU A 50 -5.202 -0.941 -3.551 1.00 0.00 C ATOM 810 O GLU A 50 -5.425 -1.343 -4.692 1.00 0.00 O ATOM 811 CB GLU A 50 -4.340 -2.420 -1.681 1.00 0.00 C ATOM 812 CG GLU A 50 -4.986 -3.707 -2.216 1.00 0.00 C ATOM 813 CD GLU A 50 -5.379 -4.657 -1.070 1.00 0.00 C ATOM 814 OE1 GLU A 50 -6.508 -4.539 -0.538 1.00 0.00 O ATOM 815 OE2 GLU A 50 -4.576 -5.541 -0.696 1.00 0.00 O ATOM 0 H GLU A 50 -3.059 -0.422 -1.210 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.338 -1.942 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.447 -2.677 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.029 -1.933 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.870 -3.456 -2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.292 -4.212 -2.888 1.00 0.00 H new ATOM 822 N ASN A 51 -5.986 -0.041 -2.943 1.00 0.00 N ATOM 823 CA ASN A 51 -7.214 0.462 -3.561 1.00 0.00 C ATOM 824 C ASN A 51 -6.918 1.232 -4.847 1.00 0.00 C ATOM 825 O ASN A 51 -7.664 1.102 -5.817 1.00 0.00 O ATOM 826 CB ASN A 51 -7.990 1.361 -2.585 1.00 0.00 C ATOM 827 CG ASN A 51 -9.230 1.952 -3.257 1.00 0.00 C ATOM 828 OD1 ASN A 51 -9.246 3.119 -3.638 1.00 0.00 O ATOM 829 ND2 ASN A 51 -10.279 1.167 -3.434 1.00 0.00 N ATOM 0 H ASN A 51 -5.789 0.352 -2.023 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.827 -0.404 -3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.286 0.783 -1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.344 2.165 -2.233 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.115 1.529 -3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.252 0.199 -3.112 1.00 0.00 H new ATOM 836 N ALA A 52 -5.832 2.010 -4.872 1.00 0.00 N ATOM 837 CA ALA A 52 -5.435 2.765 -6.053 1.00 0.00 C ATOM 838 C ALA A 52 -5.042 1.814 -7.176 1.00 0.00 C ATOM 839 O ALA A 52 -5.511 1.971 -8.302 1.00 0.00 O ATOM 840 CB ALA A 52 -4.277 3.705 -5.702 1.00 0.00 C ATOM 0 H ALA A 52 -5.208 2.131 -4.074 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.277 3.366 -6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.984 4.268 -6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.594 4.397 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.429 3.120 -5.346 1.00 0.00 H new ATOM 846 N LEU A 53 -4.216 0.816 -6.857 1.00 0.00 N ATOM 847 CA LEU A 53 -3.738 -0.167 -7.819 1.00 0.00 C ATOM 848 C LEU A 53 -4.918 -0.938 -8.404 1.00 0.00 C ATOM 849 O LEU A 53 -5.036 -1.055 -9.620 1.00 0.00 O ATOM 850 CB LEU A 53 -2.745 -1.121 -7.136 1.00 0.00 C ATOM 851 CG LEU A 53 -1.429 -0.462 -6.679 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.705 -1.428 -5.749 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.471 -0.098 -7.816 1.00 0.00 C ATOM 0 H LEU A 53 -3.859 0.670 -5.913 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.224 0.342 -8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.231 -1.570 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.509 -1.932 -7.825 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.709 0.472 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.230 -0.979 -5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.334 -1.642 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.492 -2.355 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.427 0.360 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.199 -0.999 -8.365 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.958 0.605 -8.491 1.00 0.00 H new ATOM 865 N GLN A 54 -5.817 -1.431 -7.554 1.00 0.00 N ATOM 866 CA GLN A 54 -6.965 -2.221 -7.977 1.00 0.00 C ATOM 867 C GLN A 54 -7.936 -1.395 -8.822 1.00 0.00 C ATOM 868 O GLN A 54 -8.358 -1.849 -9.885 1.00 0.00 O ATOM 869 CB GLN A 54 -7.659 -2.834 -6.751 1.00 0.00 C ATOM 870 CG GLN A 54 -6.874 -4.029 -6.175 1.00 0.00 C ATOM 871 CD GLN A 54 -6.902 -5.251 -7.101 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.961 -5.690 -7.547 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.762 -5.832 -7.430 1.00 0.00 N ATOM 0 H GLN A 54 -5.766 -1.291 -6.545 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.611 -3.032 -8.613 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.773 -2.071 -5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.662 -3.160 -7.028 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.840 -3.731 -6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.293 -4.302 -5.206 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.881 -5.472 -7.063 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.763 -6.641 -8.051 1.00 0.00 H new ATOM 882 N SER A 55 -8.262 -0.175 -8.396 1.00 0.00 N ATOM 883 CA SER A 55 -9.179 0.687 -9.142 1.00 0.00 C ATOM 884 C SER A 55 -8.591 1.033 -10.516 1.00 0.00 C ATOM 885 O SER A 55 -9.297 1.009 -11.526 1.00 0.00 O ATOM 886 CB SER A 55 -9.480 1.960 -8.344 1.00 0.00 C ATOM 887 OG SER A 55 -9.975 1.653 -7.054 1.00 0.00 O ATOM 0 H SER A 55 -7.904 0.240 -7.536 1.00 0.00 H new ATOM 0 HA SER A 55 -10.115 0.150 -9.297 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.574 2.559 -8.255 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.210 2.565 -8.882 1.00 0.00 H new ATOM 0 HG SER A 55 -9.224 1.515 -6.440 1.00 0.00 H new ATOM 893 N PHE A 56 -7.284 1.300 -10.567 1.00 0.00 N ATOM 894 CA PHE A 56 -6.563 1.480 -11.810 1.00 0.00 C ATOM 895 C PHE A 56 -6.677 0.229 -12.688 1.00 0.00 C ATOM 896 O PHE A 56 -7.027 0.362 -13.857 1.00 0.00 O ATOM 897 CB PHE A 56 -5.106 1.836 -11.500 1.00 0.00 C ATOM 898 CG PHE A 56 -4.220 1.749 -12.715 1.00 0.00 C ATOM 899 CD1 PHE A 56 -4.111 2.845 -13.587 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.578 0.535 -13.015 1.00 0.00 C ATOM 901 CE1 PHE A 56 -3.355 2.716 -14.760 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.819 0.418 -14.186 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.693 1.513 -15.051 1.00 0.00 C ATOM 0 H PHE A 56 -6.700 1.396 -9.736 1.00 0.00 H new ATOM 0 HA PHE A 56 -7.003 2.301 -12.376 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.061 2.846 -11.093 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.727 1.165 -10.729 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.605 3.777 -13.356 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.670 -0.306 -12.344 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.281 3.548 -15.445 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.331 -0.516 -14.422 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.087 1.431 -15.941 1.00 0.00 H new ATOM 913 N VAL A 57 -6.436 -0.977 -12.159 1.00 0.00 N ATOM 914 CA VAL A 57 -6.545 -2.210 -12.938 1.00 0.00 C ATOM 915 C VAL A 57 -7.953 -2.326 -13.534 1.00 0.00 C ATOM 916 O VAL A 57 -8.076 -2.693 -14.701 1.00 0.00 O ATOM 917 CB VAL A 57 -6.168 -3.432 -12.065 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.547 -4.784 -12.691 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.658 -3.480 -11.788 1.00 0.00 C ATOM 0 H VAL A 57 -6.162 -1.122 -11.187 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.840 -2.184 -13.769 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.740 -3.291 -11.148 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.251 -5.591 -12.021 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.625 -4.822 -12.851 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.034 -4.899 -13.646 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.428 -4.350 -11.173 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.117 -3.550 -12.732 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.355 -2.574 -11.263 1.00 0.00 H new ATOM 929 N GLU A 58 -9.008 -1.977 -12.788 1.00 0.00 N ATOM 930 CA GLU A 58 -10.364 -1.996 -13.328 1.00 0.00 C ATOM 931 C GLU A 58 -10.505 -0.997 -14.479 1.00 0.00 C ATOM 932 O GLU A 58 -11.095 -1.330 -15.506 1.00 0.00 O ATOM 933 CB GLU A 58 -11.413 -1.721 -12.240 1.00 0.00 C ATOM 934 CG GLU A 58 -11.485 -2.850 -11.205 1.00 0.00 C ATOM 935 CD GLU A 58 -12.640 -2.634 -10.212 1.00 0.00 C ATOM 936 OE1 GLU A 58 -12.467 -1.909 -9.206 1.00 0.00 O ATOM 937 OE2 GLU A 58 -13.737 -3.204 -10.417 1.00 0.00 O ATOM 0 H GLU A 58 -8.945 -1.680 -11.814 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.547 -2.998 -13.715 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.175 -0.784 -11.737 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.391 -1.594 -12.705 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.616 -3.804 -11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.542 -2.907 -10.661 1.00 0.00 H new ATOM 944 N ALA A 59 -9.935 0.202 -14.335 1.00 0.00 N ATOM 945 CA ALA A 59 -9.972 1.229 -15.370 1.00 0.00 C ATOM 946 C ALA A 59 -9.271 0.764 -16.656 1.00 0.00 C ATOM 947 O ALA A 59 -9.812 0.953 -17.750 1.00 0.00 O ATOM 948 CB ALA A 59 -9.352 2.523 -14.831 1.00 0.00 C ATOM 0 H ALA A 59 -9.434 0.485 -13.493 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.012 1.420 -15.633 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.380 3.290 -15.605 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.917 2.863 -13.963 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.318 2.338 -14.541 1.00 0.00 H new ATOM 954 N VAL A 60 -8.100 0.125 -16.536 1.00 0.00 N ATOM 955 CA VAL A 60 -7.385 -0.488 -17.655 1.00 0.00 C ATOM 956 C VAL A 60 -8.286 -1.561 -18.271 1.00 0.00 C ATOM 957 O VAL A 60 -8.611 -1.479 -19.454 1.00 0.00 O ATOM 958 CB VAL A 60 -6.048 -1.096 -17.165 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.274 -1.809 -18.279 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.100 -0.039 -16.599 1.00 0.00 C ATOM 0 H VAL A 60 -7.618 0.020 -15.643 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.147 0.262 -18.410 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.348 -1.805 -16.394 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.346 -2.214 -17.875 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.880 -2.621 -18.681 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.044 -1.100 -19.074 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.177 -0.517 -16.269 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.872 0.696 -17.371 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.573 0.458 -15.753 1.00 0.00 H new ATOM 970 N LYS A 61 -8.717 -2.549 -17.478 1.00 0.00 N ATOM 971 CA LYS A 61 -9.425 -3.731 -17.963 1.00 0.00 C ATOM 972 C LYS A 61 -10.714 -3.350 -18.684 1.00 0.00 C ATOM 973 O LYS A 61 -11.006 -3.909 -19.741 1.00 0.00 O ATOM 974 CB LYS A 61 -9.694 -4.669 -16.774 1.00 0.00 C ATOM 975 CG LYS A 61 -10.387 -5.969 -17.205 1.00 0.00 C ATOM 976 CD LYS A 61 -10.513 -6.948 -16.030 1.00 0.00 C ATOM 977 CE LYS A 61 -11.182 -8.248 -16.498 1.00 0.00 C ATOM 978 NZ LYS A 61 -11.346 -9.227 -15.394 1.00 0.00 N ATOM 0 H LYS A 61 -8.580 -2.546 -16.467 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.806 -4.251 -18.694 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.751 -4.908 -16.282 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.315 -4.154 -16.041 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.377 -5.742 -17.600 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.821 -6.436 -18.011 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.527 -7.164 -15.619 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.099 -6.495 -15.230 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.158 -8.018 -16.925 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.584 -8.696 -17.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.802 -10.088 -15.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.413 -9.468 -15.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.938 -8.812 -14.647 1.00 0.00 H new ATOM 992 N ASN A 62 -11.475 -2.399 -18.135 1.00 0.00 N ATOM 993 CA ASN A 62 -12.708 -1.924 -18.753 1.00 0.00 C ATOM 994 C ASN A 62 -12.433 -1.177 -20.061 1.00 0.00 C ATOM 995 O ASN A 62 -13.313 -1.114 -20.919 1.00 0.00 O ATOM 996 CB ASN A 62 -13.470 -1.007 -17.787 1.00 0.00 C ATOM 997 CG ASN A 62 -14.817 -0.595 -18.378 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.682 -1.431 -18.619 1.00 0.00 O ATOM 999 ND2 ASN A 62 -15.032 0.687 -18.620 1.00 0.00 N ATOM 0 H ASN A 62 -11.251 -1.940 -17.252 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.316 -2.799 -18.982 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.626 -1.520 -16.838 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.874 -0.119 -17.575 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.924 0.990 -19.011 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.306 1.373 -18.416 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.231 -0.610 -20.225 1.00 0.00 N ATOM 1007 CA GLY A 63 -10.907 0.259 -21.343 1.00 0.00 C ATOM 1008 C GLY A 63 -11.878 1.435 -21.388 1.00 0.00 C ATOM 1009 O GLY A 63 -12.522 1.651 -22.415 1.00 0.00 O ATOM 0 H GLY A 63 -10.456 -0.748 -19.576 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.885 0.624 -21.246 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.958 -0.301 -22.277 1.00 0.00 H new ATOM 1013 N SER A 64 -12.067 2.116 -20.253 1.00 0.00 N ATOM 1014 CA SER A 64 -12.946 3.273 -20.152 1.00 0.00 C ATOM 1015 C SER A 64 -12.521 4.404 -21.117 1.00 0.00 C ATOM 1016 O SER A 64 -13.372 4.849 -21.895 1.00 0.00 O ATOM 1017 CB SER A 64 -13.042 3.743 -18.691 1.00 0.00 C ATOM 1018 OG SER A 64 -13.108 2.633 -17.806 1.00 0.00 O ATOM 0 H SER A 64 -11.608 1.873 -19.375 1.00 0.00 H new ATOM 0 HA SER A 64 -13.946 2.975 -20.467 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.177 4.359 -18.445 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.925 4.369 -18.563 1.00 0.00 H new ATOM 0 HG SER A 64 -13.167 2.954 -16.882 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.250 4.867 -21.135 1.00 0.00 N ATOM 1025 CA PRO A 65 -10.760 5.781 -22.166 1.00 0.00 C ATOM 1026 C PRO A 65 -10.424 5.010 -23.459 1.00 0.00 C ATOM 1027 O PRO A 65 -10.580 3.789 -23.532 1.00 0.00 O ATOM 1028 CB PRO A 65 -9.513 6.421 -21.541 1.00 0.00 C ATOM 1029 CG PRO A 65 -8.924 5.265 -20.741 1.00 0.00 C ATOM 1030 CD PRO A 65 -10.173 4.584 -20.186 1.00 0.00 C ATOM 0 HA PRO A 65 -11.496 6.531 -22.456 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.820 6.787 -22.299 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.766 7.269 -20.905 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.339 4.593 -21.368 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.264 5.614 -19.947 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -10.017 3.510 -20.083 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.417 4.967 -19.195 1.00 0.00 H new ATOM 1038 N PHE A 66 -9.891 5.722 -24.456 1.00 0.00 N ATOM 1039 CA PHE A 66 -9.019 5.124 -25.464 1.00 0.00 C ATOM 1040 C PHE A 66 -7.582 5.585 -25.161 1.00 0.00 C ATOM 1041 O PHE A 66 -7.400 6.670 -24.608 1.00 0.00 O ATOM 1042 CB PHE A 66 -9.445 5.526 -26.881 1.00 0.00 C ATOM 1043 CG PHE A 66 -10.477 4.598 -27.490 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -11.850 4.820 -27.270 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -10.062 3.501 -28.272 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -12.804 3.955 -27.838 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -11.017 2.637 -28.839 1.00 0.00 C ATOM 1048 CZ PHE A 66 -12.387 2.867 -28.626 1.00 0.00 C ATOM 0 H PHE A 66 -10.052 6.721 -24.585 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.085 4.037 -25.422 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.848 6.538 -26.857 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.565 5.549 -27.523 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -12.171 5.655 -26.665 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -9.009 3.323 -28.436 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -13.857 4.127 -27.669 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -10.697 1.797 -29.438 1.00 0.00 H new ATOM 0 HZ PHE A 66 -13.120 2.208 -29.068 1.00 0.00 H new ATOM 1058 N SER A 67 -6.533 4.854 -25.545 1.00 0.00 N ATOM 1059 CA SER A 67 -6.525 3.516 -26.133 1.00 0.00 C ATOM 1060 C SER A 67 -7.138 2.474 -25.167 1.00 0.00 C ATOM 1061 O SER A 67 -7.490 2.811 -24.035 1.00 0.00 O ATOM 1062 CB SER A 67 -5.083 3.177 -26.544 1.00 0.00 C ATOM 1063 OG SER A 67 -4.344 4.342 -26.898 1.00 0.00 O ATOM 0 H SER A 67 -5.585 5.217 -25.443 1.00 0.00 H new ATOM 0 HA SER A 67 -7.154 3.491 -27.023 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.582 2.665 -25.722 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.099 2.487 -27.387 1.00 0.00 H new ATOM 0 HG SER A 67 -3.550 4.412 -26.327 1.00 0.00 H new ATOM 1069 N LYS A 68 -7.365 1.238 -25.623 1.00 0.00 N ATOM 1070 CA LYS A 68 -8.358 0.335 -25.031 1.00 0.00 C ATOM 1071 C LYS A 68 -7.784 -1.073 -24.874 1.00 0.00 C ATOM 1072 O LYS A 68 -6.810 -1.428 -25.533 1.00 0.00 O ATOM 1073 CB LYS A 68 -9.612 0.360 -25.928 1.00 0.00 C ATOM 1074 CG LYS A 68 -10.890 -0.085 -25.207 1.00 0.00 C ATOM 1075 CD LYS A 68 -12.090 -0.090 -26.162 1.00 0.00 C ATOM 1076 CE LYS A 68 -13.361 -0.595 -25.461 1.00 0.00 C ATOM 1077 NZ LYS A 68 -13.956 0.408 -24.539 1.00 0.00 N ATOM 0 H LYS A 68 -6.864 0.834 -26.415 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.630 0.664 -24.028 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.754 1.370 -26.312 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.446 -0.288 -26.789 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.748 -1.083 -24.791 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.090 0.584 -24.370 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.258 0.917 -26.543 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.870 -0.723 -27.022 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.099 -0.870 -26.214 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.125 -1.500 -24.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.759 -0.018 -24.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.239 0.717 -23.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.287 1.228 -25.086 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.404 -1.894 -24.031 1.00 0.00 N ATOM 1092 CA VAL A 69 -7.937 -3.222 -23.652 1.00 0.00 C ATOM 1093 C VAL A 69 -9.104 -4.184 -23.863 1.00 0.00 C ATOM 1094 O VAL A 69 -10.259 -3.813 -23.637 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.502 -3.189 -22.169 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -7.007 -4.541 -21.639 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -6.397 -2.148 -21.927 1.00 0.00 C ATOM 0 H VAL A 69 -9.281 -1.641 -23.575 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.083 -3.543 -24.249 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.408 -2.920 -21.625 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.720 -4.438 -20.593 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.804 -5.280 -21.726 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.145 -4.867 -22.222 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.117 -2.153 -20.874 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.527 -2.393 -22.535 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.763 -1.158 -22.200 1.00 0.00 H new ATOM 1107 N THR A 70 -8.801 -5.420 -24.253 1.00 0.00 N ATOM 1108 CA THR A 70 -9.762 -6.515 -24.330 1.00 0.00 C ATOM 1109 C THR A 70 -9.193 -7.791 -23.681 1.00 0.00 C ATOM 1110 O THR A 70 -9.927 -8.769 -23.519 1.00 0.00 O ATOM 1111 CB THR A 70 -10.202 -6.731 -25.793 1.00 0.00 C ATOM 1112 OG1 THR A 70 -9.075 -6.934 -26.624 1.00 0.00 O ATOM 1113 CG2 THR A 70 -10.985 -5.533 -26.351 1.00 0.00 C ATOM 0 H THR A 70 -7.858 -5.693 -24.530 1.00 0.00 H new ATOM 0 HA THR A 70 -10.654 -6.254 -23.761 1.00 0.00 H new ATOM 0 HB THR A 70 -10.849 -7.609 -25.790 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.371 -7.071 -27.548 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.272 -5.735 -27.383 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.880 -5.372 -25.751 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.359 -4.641 -26.316 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.922 -7.791 -23.251 1.00 0.00 N ATOM 1122 CA ASP A 71 -7.293 -8.885 -22.512 1.00 0.00 C ATOM 1123 C ASP A 71 -6.191 -8.311 -21.623 1.00 0.00 C ATOM 1124 O ASP A 71 -5.485 -7.385 -22.028 1.00 0.00 O ATOM 1125 CB ASP A 71 -6.692 -9.914 -23.478 1.00 0.00 C ATOM 1126 CG ASP A 71 -5.988 -11.034 -22.698 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -6.681 -11.942 -22.188 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -4.743 -10.994 -22.590 1.00 0.00 O ATOM 0 H ASP A 71 -7.290 -7.007 -23.414 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.046 -9.384 -21.902 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -7.478 -10.337 -24.104 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.982 -9.425 -24.145 1.00 0.00 H new ATOM 1133 N ILE A 72 -6.041 -8.852 -20.414 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.144 -8.340 -19.386 1.00 0.00 C ATOM 1135 C ILE A 72 -4.567 -9.522 -18.599 1.00 0.00 C ATOM 1136 O ILE A 72 -5.257 -10.522 -18.376 1.00 0.00 O ATOM 1137 CB ILE A 72 -5.909 -7.321 -18.493 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -4.986 -6.716 -17.412 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.181 -7.907 -17.851 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -5.531 -5.440 -16.751 1.00 0.00 C ATOM 0 H ILE A 72 -6.556 -9.681 -20.118 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.304 -7.802 -19.825 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.235 -6.526 -19.163 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.813 -7.465 -16.639 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.019 -6.492 -17.862 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.666 -7.144 -17.242 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.865 -8.235 -18.633 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.913 -8.757 -17.223 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.820 -5.084 -16.006 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.677 -4.671 -17.510 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.483 -5.659 -16.268 1.00 0.00 H new ATOM 1152 N SER A 73 -3.325 -9.372 -18.145 1.00 0.00 N ATOM 1153 CA SER A 73 -2.648 -10.266 -17.218 1.00 0.00 C ATOM 1154 C SER A 73 -1.938 -9.377 -16.194 1.00 0.00 C ATOM 1155 O SER A 73 -1.449 -8.301 -16.554 1.00 0.00 O ATOM 1156 CB SER A 73 -1.654 -11.153 -17.983 1.00 0.00 C ATOM 1157 OG SER A 73 -2.296 -11.881 -19.021 1.00 0.00 O ATOM 0 H SER A 73 -2.739 -8.587 -18.428 1.00 0.00 H new ATOM 0 HA SER A 73 -3.346 -10.934 -16.714 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.864 -10.533 -18.407 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.178 -11.848 -17.291 1.00 0.00 H new ATOM 0 HG SER A 73 -1.636 -12.434 -19.489 1.00 0.00 H new ATOM 1163 N VAL A 74 -1.902 -9.797 -14.928 1.00 0.00 N ATOM 1164 CA VAL A 74 -1.446 -8.979 -13.806 1.00 0.00 C ATOM 1165 C VAL A 74 -0.598 -9.860 -12.886 1.00 0.00 C ATOM 1166 O VAL A 74 -0.896 -11.042 -12.688 1.00 0.00 O ATOM 1167 CB VAL A 74 -2.662 -8.381 -13.045 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.239 -7.416 -11.920 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -3.646 -7.650 -13.975 1.00 0.00 C ATOM 0 H VAL A 74 -2.195 -10.734 -14.650 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.845 -8.144 -14.166 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.164 -9.243 -12.607 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.127 -7.027 -11.421 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.621 -7.948 -11.197 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.670 -6.589 -12.345 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.475 -7.253 -13.388 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.132 -6.830 -14.477 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.030 -8.348 -14.719 1.00 0.00 H new ATOM 1179 N THR A 75 0.413 -9.250 -12.277 1.00 0.00 N ATOM 1180 CA THR A 75 1.111 -9.729 -11.097 1.00 0.00 C ATOM 1181 C THR A 75 1.055 -8.555 -10.115 1.00 0.00 C ATOM 1182 O THR A 75 1.164 -7.398 -10.532 1.00 0.00 O ATOM 1183 CB THR A 75 2.553 -10.123 -11.475 1.00 0.00 C ATOM 1184 OG1 THR A 75 2.560 -11.019 -12.575 1.00 0.00 O ATOM 1185 CG2 THR A 75 3.298 -10.797 -10.318 1.00 0.00 C ATOM 0 H THR A 75 0.785 -8.362 -12.614 1.00 0.00 H new ATOM 0 HA THR A 75 0.667 -10.621 -10.655 1.00 0.00 H new ATOM 0 HB THR A 75 3.059 -9.193 -11.731 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.484 -11.255 -12.799 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.308 -11.054 -10.637 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.348 -10.114 -9.470 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.769 -11.703 -10.023 1.00 0.00 H new ATOM 1193 N GLU A 76 0.865 -8.822 -8.824 1.00 0.00 N ATOM 1194 CA GLU A 76 0.743 -7.791 -7.801 1.00 0.00 C ATOM 1195 C GLU A 76 1.671 -8.187 -6.648 1.00 0.00 C ATOM 1196 O GLU A 76 1.791 -9.373 -6.320 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.730 -7.658 -7.377 1.00 0.00 C ATOM 1198 CG GLU A 76 -0.992 -6.379 -6.570 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.452 -6.277 -6.095 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -2.887 -7.111 -5.269 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -3.171 -5.352 -6.537 1.00 0.00 O ATOM 0 H GLU A 76 0.791 -9.771 -8.457 1.00 0.00 H new ATOM 0 HA GLU A 76 1.042 -6.808 -8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.363 -7.661 -8.265 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.014 -8.525 -6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.329 -6.355 -5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.750 -5.510 -7.182 1.00 0.00 H new ATOM 1208 N SER A 77 2.352 -7.199 -6.072 1.00 0.00 N ATOM 1209 CA SER A 77 3.562 -7.371 -5.277 1.00 0.00 C ATOM 1210 C SER A 77 3.633 -6.271 -4.212 1.00 0.00 C ATOM 1211 O SER A 77 2.808 -5.358 -4.195 1.00 0.00 O ATOM 1212 CB SER A 77 4.785 -7.286 -6.215 1.00 0.00 C ATOM 1213 OG SER A 77 4.678 -8.172 -7.320 1.00 0.00 O ATOM 0 H SER A 77 2.065 -6.223 -6.150 1.00 0.00 H new ATOM 0 HA SER A 77 3.553 -8.340 -4.778 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.890 -6.264 -6.580 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.689 -7.518 -5.652 1.00 0.00 H new ATOM 0 HG SER A 77 5.472 -8.084 -7.888 1.00 0.00 H new ATOM 1219 N ARG A 78 4.638 -6.323 -3.335 1.00 0.00 N ATOM 1220 CA ARG A 78 4.932 -5.273 -2.348 1.00 0.00 C ATOM 1221 C ARG A 78 6.446 -5.035 -2.227 1.00 0.00 C ATOM 1222 O ARG A 78 6.907 -4.450 -1.247 1.00 0.00 O ATOM 1223 CB ARG A 78 4.234 -5.563 -0.998 1.00 0.00 C ATOM 1224 CG ARG A 78 4.352 -7.007 -0.472 1.00 0.00 C ATOM 1225 CD ARG A 78 3.120 -7.851 -0.838 1.00 0.00 C ATOM 1226 NE ARG A 78 1.959 -7.539 0.018 1.00 0.00 N ATOM 1227 CZ ARG A 78 0.687 -7.881 -0.233 1.00 0.00 C ATOM 1228 NH1 ARG A 78 0.364 -8.530 -1.350 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -0.264 -7.566 0.642 1.00 0.00 N ATOM 0 H ARG A 78 5.285 -7.110 -3.287 1.00 0.00 H new ATOM 0 HA ARG A 78 4.511 -4.332 -2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.646 -4.889 -0.247 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.176 -5.320 -1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.247 -7.472 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.472 -6.990 0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.858 -7.676 -1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.365 -8.909 -0.744 1.00 0.00 H new ATOM 0 HE ARG A 78 2.140 -7.018 0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.088 -8.773 -2.026 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.607 -8.785 -1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.024 -7.067 1.499 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.233 -7.824 0.456 1.00 0.00 H new ATOM 1243 N SER A 79 7.233 -5.486 -3.210 1.00 0.00 N ATOM 1244 CA SER A 79 8.678 -5.289 -3.257 1.00 0.00 C ATOM 1245 C SER A 79 9.044 -3.807 -3.448 1.00 0.00 C ATOM 1246 O SER A 79 10.097 -3.376 -2.974 1.00 0.00 O ATOM 1247 CB SER A 79 9.265 -6.144 -4.389 1.00 0.00 C ATOM 1248 OG SER A 79 8.696 -7.449 -4.387 1.00 0.00 O ATOM 0 H SER A 79 6.872 -6.008 -4.009 1.00 0.00 H new ATOM 0 HA SER A 79 9.104 -5.601 -2.303 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.077 -5.662 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.347 -6.214 -4.274 1.00 0.00 H new ATOM 0 HG SER A 79 9.083 -7.976 -5.117 1.00 0.00 H new ATOM 1254 N LEU A 80 8.152 -3.035 -4.090 1.00 0.00 N ATOM 1255 CA LEU A 80 8.311 -1.629 -4.472 1.00 0.00 C ATOM 1256 C LEU A 80 9.441 -1.439 -5.492 1.00 0.00 C ATOM 1257 O LEU A 80 10.110 -2.394 -5.898 1.00 0.00 O ATOM 1258 CB LEU A 80 8.439 -0.701 -3.241 1.00 0.00 C ATOM 1259 CG LEU A 80 7.263 -0.770 -2.247 1.00 0.00 C ATOM 1260 CD1 LEU A 80 7.509 0.201 -1.087 1.00 0.00 C ATOM 1261 CD2 LEU A 80 5.922 -0.429 -2.908 1.00 0.00 C ATOM 0 H LEU A 80 7.244 -3.403 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 80 7.394 -1.325 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.358 -0.951 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.541 0.327 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 80 7.207 -1.796 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.676 0.149 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.432 -0.071 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.595 1.216 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.125 -0.491 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.963 0.582 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.724 -1.135 -3.714 1.00 0.00 H new ATOM 1273 N GLU A 81 9.595 -0.206 -5.975 1.00 0.00 N ATOM 1274 CA GLU A 81 10.479 0.143 -7.088 1.00 0.00 C ATOM 1275 C GLU A 81 11.076 1.552 -6.945 1.00 0.00 C ATOM 1276 O GLU A 81 12.040 1.878 -7.643 1.00 0.00 O ATOM 1277 CB GLU A 81 9.719 -0.026 -8.418 1.00 0.00 C ATOM 1278 CG GLU A 81 8.409 0.780 -8.496 1.00 0.00 C ATOM 1279 CD GLU A 81 7.471 0.289 -9.600 1.00 0.00 C ATOM 1280 OE1 GLU A 81 7.045 -0.884 -9.508 1.00 0.00 O ATOM 1281 OE2 GLU A 81 7.143 1.085 -10.507 1.00 0.00 O ATOM 0 H GLU A 81 9.096 0.598 -5.594 1.00 0.00 H new ATOM 0 HA GLU A 81 11.329 -0.539 -7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.370 0.277 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.493 -1.082 -8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.895 0.721 -7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.645 1.830 -8.667 1.00 0.00 H new ATOM 1288 N GLY A 82 10.557 2.382 -6.034 1.00 0.00 N ATOM 1289 CA GLY A 82 11.080 3.712 -5.751 1.00 0.00 C ATOM 1290 C GLY A 82 10.623 4.748 -6.778 1.00 0.00 C ATOM 1291 O GLY A 82 11.210 5.830 -6.847 1.00 0.00 O ATOM 0 H GLY A 82 9.746 2.138 -5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.757 4.023 -4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.169 3.676 -5.736 1.00 0.00 H new ATOM 1295 N HIS A 83 9.606 4.438 -7.590 1.00 0.00 N ATOM 1296 CA HIS A 83 8.994 5.416 -8.474 1.00 0.00 C ATOM 1297 C HIS A 83 8.292 6.472 -7.621 1.00 0.00 C ATOM 1298 O HIS A 83 7.408 6.154 -6.824 1.00 0.00 O ATOM 1299 CB HIS A 83 8.000 4.760 -9.447 1.00 0.00 C ATOM 1300 CG HIS A 83 8.579 4.503 -10.815 1.00 0.00 C ATOM 1301 ND1 HIS A 83 8.377 5.282 -11.933 1.00 0.00 N ATOM 1302 CD2 HIS A 83 9.378 3.457 -11.194 1.00 0.00 C ATOM 1303 CE1 HIS A 83 9.025 4.711 -12.960 1.00 0.00 C ATOM 1304 NE2 HIS A 83 9.662 3.595 -12.560 1.00 0.00 N ATOM 0 H HIS A 83 9.192 3.508 -7.647 1.00 0.00 H new ATOM 0 HA HIS A 83 9.772 5.880 -9.080 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.658 3.816 -9.023 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.124 5.401 -9.546 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.830 6.142 -11.973 1.00 0.00 H new ATOM 0 HD2 HIS A 83 9.729 2.663 -10.551 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.034 5.095 -13.970 1.00 0.00 H new ATOM 1312 N HIS A 84 8.642 7.733 -7.872 1.00 0.00 N ATOM 1313 CA HIS A 84 7.910 8.921 -7.436 1.00 0.00 C ATOM 1314 C HIS A 84 7.692 9.829 -8.660 1.00 0.00 C ATOM 1315 O HIS A 84 7.589 11.051 -8.539 1.00 0.00 O ATOM 1316 CB HIS A 84 8.682 9.622 -6.303 1.00 0.00 C ATOM 1317 CG HIS A 84 8.920 8.746 -5.095 1.00 0.00 C ATOM 1318 ND1 HIS A 84 7.998 8.414 -4.126 1.00 0.00 N ATOM 1319 CD2 HIS A 84 10.093 8.117 -4.766 1.00 0.00 C ATOM 1320 CE1 HIS A 84 8.600 7.603 -3.240 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.885 7.393 -3.583 1.00 0.00 N ATOM 0 H HIS A 84 9.479 7.964 -8.407 1.00 0.00 H new ATOM 0 HA HIS A 84 6.933 8.657 -7.030 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.643 9.963 -6.688 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.129 10.509 -5.994 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.017 8.170 -5.322 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.119 7.178 -2.372 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.568 6.823 -3.084 1.00 0.00 H new ATOM 1329 N ARG A 85 7.713 9.237 -9.859 1.00 0.00 N ATOM 1330 CA ARG A 85 7.685 9.883 -11.166 1.00 0.00 C ATOM 1331 C ARG A 85 6.949 8.935 -12.110 1.00 0.00 C ATOM 1332 O ARG A 85 6.861 7.733 -11.834 1.00 0.00 O ATOM 1333 CB ARG A 85 9.124 10.099 -11.685 1.00 0.00 C ATOM 1334 CG ARG A 85 10.021 11.010 -10.829 1.00 0.00 C ATOM 1335 CD ARG A 85 9.524 12.461 -10.795 1.00 0.00 C ATOM 1336 NE ARG A 85 10.441 13.332 -10.038 1.00 0.00 N ATOM 1337 CZ ARG A 85 10.365 13.639 -8.735 1.00 0.00 C ATOM 1338 NH1 ARG A 85 9.417 13.121 -7.959 1.00 0.00 N ATOM 1339 NH2 ARG A 85 11.256 14.475 -8.208 1.00 0.00 N ATOM 0 H ARG A 85 7.753 8.221 -9.942 1.00 0.00 H new ATOM 0 HA ARG A 85 7.193 10.854 -11.105 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.607 9.126 -11.773 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.067 10.519 -12.689 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.064 10.620 -9.812 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.037 10.987 -11.222 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.424 12.836 -11.814 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.533 12.496 -10.343 1.00 0.00 H new ATOM 0 HE ARG A 85 11.214 13.744 -10.560 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.731 12.477 -8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.376 13.367 -6.970 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.988 14.876 -8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.207 14.715 -7.218 1.00 0.00 H new ATOM 1353 N PHE A 86 6.470 9.454 -13.234 1.00 0.00 N ATOM 1354 CA PHE A 86 5.816 8.664 -14.267 1.00 0.00 C ATOM 1355 C PHE A 86 6.784 8.534 -15.441 1.00 0.00 C ATOM 1356 O PHE A 86 7.498 9.496 -15.749 1.00 0.00 O ATOM 1357 CB PHE A 86 4.526 9.357 -14.724 1.00 0.00 C ATOM 1358 CG PHE A 86 3.574 9.793 -13.627 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.716 11.058 -13.022 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.519 8.950 -13.237 1.00 0.00 C ATOM 1361 CE1 PHE A 86 2.820 11.467 -12.018 1.00 0.00 C ATOM 1362 CE2 PHE A 86 1.612 9.369 -12.252 1.00 0.00 C ATOM 1363 CZ PHE A 86 1.766 10.619 -11.632 1.00 0.00 C ATOM 0 H PHE A 86 6.526 10.448 -13.455 1.00 0.00 H new ATOM 0 HA PHE A 86 5.554 7.679 -13.880 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.798 10.235 -15.310 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.992 8.681 -15.392 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.515 11.715 -13.330 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.406 7.979 -13.696 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.941 12.430 -11.544 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.791 8.727 -11.969 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.077 10.929 -10.860 1.00 0.00 H new ATOM 1373 N SER A 87 6.772 7.390 -16.127 1.00 0.00 N ATOM 1374 CA SER A 87 7.706 7.110 -17.211 1.00 0.00 C ATOM 1375 C SER A 87 7.014 6.427 -18.390 1.00 0.00 C ATOM 1376 O SER A 87 6.040 5.675 -18.246 1.00 0.00 O ATOM 1377 CB SER A 87 8.873 6.260 -16.688 1.00 0.00 C ATOM 1378 OG SER A 87 9.547 6.917 -15.625 1.00 0.00 O ATOM 0 H SER A 87 6.113 6.633 -15.944 1.00 0.00 H new ATOM 0 HA SER A 87 8.097 8.059 -17.578 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.499 5.295 -16.345 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.574 6.060 -17.499 1.00 0.00 H new ATOM 0 HG SER A 87 10.285 6.355 -15.308 1.00 0.00 H new ATOM 1384 N ILE A 88 7.553 6.673 -19.577 1.00 0.00 N ATOM 1385 CA ILE A 88 7.090 6.106 -20.826 1.00 0.00 C ATOM 1386 C ILE A 88 8.363 5.680 -21.556 1.00 0.00 C ATOM 1387 O ILE A 88 9.334 6.443 -21.598 1.00 0.00 O ATOM 1388 CB ILE A 88 6.237 7.134 -21.615 1.00 0.00 C ATOM 1389 CG1 ILE A 88 5.076 7.712 -20.762 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.701 6.425 -22.864 1.00 0.00 C ATOM 1391 CD1 ILE A 88 4.075 8.608 -21.507 1.00 0.00 C ATOM 0 H ILE A 88 8.352 7.295 -19.695 1.00 0.00 H new ATOM 0 HA ILE A 88 6.426 5.252 -20.690 1.00 0.00 H new ATOM 0 HB ILE A 88 6.857 7.987 -21.891 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.529 6.880 -20.318 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.506 8.286 -19.941 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.095 7.120 -23.445 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.536 6.077 -23.472 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.090 5.573 -22.565 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.309 8.954 -20.813 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.598 9.467 -21.927 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.606 8.040 -22.311 1.00 0.00 H new ATOM 1403 N VAL A 89 8.374 4.464 -22.100 1.00 0.00 N ATOM 1404 CA VAL A 89 9.542 3.858 -22.733 1.00 0.00 C ATOM 1405 C VAL A 89 9.069 3.209 -24.037 1.00 0.00 C ATOM 1406 O VAL A 89 7.881 2.895 -24.178 1.00 0.00 O ATOM 1407 CB VAL A 89 10.212 2.831 -21.780 1.00 0.00 C ATOM 1408 CG1 VAL A 89 11.694 2.633 -22.131 1.00 0.00 C ATOM 1409 CG2 VAL A 89 10.139 3.198 -20.283 1.00 0.00 C ATOM 0 H VAL A 89 7.552 3.860 -22.113 1.00 0.00 H new ATOM 0 HA VAL A 89 10.301 4.609 -22.952 1.00 0.00 H new ATOM 0 HB VAL A 89 9.636 1.918 -21.932 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.136 1.909 -21.447 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.780 2.266 -23.154 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.219 3.584 -22.042 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.632 2.424 -19.694 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.638 4.153 -20.118 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.095 3.276 -19.978 1.00 0.00 H new ATOM 1419 N TYR A 90 9.977 3.011 -24.997 1.00 0.00 N ATOM 1420 CA TYR A 90 9.652 2.328 -26.245 1.00 0.00 C ATOM 1421 C TYR A 90 9.331 0.856 -25.962 1.00 0.00 C ATOM 1422 O TYR A 90 8.208 0.412 -26.215 1.00 0.00 O ATOM 1423 CB TYR A 90 10.795 2.495 -27.258 1.00 0.00 C ATOM 1424 CG TYR A 90 10.440 2.000 -28.649 1.00 0.00 C ATOM 1425 CD1 TYR A 90 9.682 2.818 -29.511 1.00 0.00 C ATOM 1426 CD2 TYR A 90 10.849 0.723 -29.077 1.00 0.00 C ATOM 1427 CE1 TYR A 90 9.335 2.364 -30.796 1.00 0.00 C ATOM 1428 CE2 TYR A 90 10.505 0.262 -30.361 1.00 0.00 C ATOM 1429 CZ TYR A 90 9.746 1.081 -31.228 1.00 0.00 C ATOM 1430 OH TYR A 90 9.419 0.623 -32.470 1.00 0.00 O ATOM 0 H TYR A 90 10.948 3.317 -24.929 1.00 0.00 H new ATOM 0 HA TYR A 90 8.765 2.777 -26.691 1.00 0.00 H new ATOM 0 HB2 TYR A 90 11.071 3.548 -27.314 1.00 0.00 H new ATOM 0 HB3 TYR A 90 11.671 1.954 -26.900 1.00 0.00 H new ATOM 0 HD1 TYR A 90 9.366 3.797 -29.183 1.00 0.00 H new ATOM 0 HD2 TYR A 90 11.429 0.095 -28.417 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.755 2.995 -31.453 1.00 0.00 H new ATOM 0 HE2 TYR A 90 10.821 -0.719 -30.685 1.00 0.00 H new ATOM 0 HH TYR A 90 9.787 -0.277 -32.594 1.00 0.00 H new ATOM 1440 N SER A 91 10.280 0.145 -25.354 1.00 0.00 N ATOM 1441 CA SER A 91 10.211 -1.258 -24.962 1.00 0.00 C ATOM 1442 C SER A 91 11.159 -1.465 -23.783 1.00 0.00 C ATOM 1443 O SER A 91 10.909 -2.386 -22.980 1.00 0.00 O ATOM 1444 CB SER A 91 10.640 -2.173 -26.118 1.00 0.00 C ATOM 1445 OG SER A 91 9.842 -1.977 -27.270 1.00 0.00 O ATOM 1446 OXT SER A 91 12.145 -0.703 -23.668 1.00 0.00 O ATOM 0 H SER A 91 11.176 0.564 -25.107 1.00 0.00 H new ATOM 0 HA SER A 91 9.185 -1.508 -24.692 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.685 -1.982 -26.363 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.572 -3.214 -25.802 1.00 0.00 H new ATOM 0 HG SER A 91 8.905 -2.166 -27.055 1.00 0.00 H new TER 1452 SER A 91