USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 574 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 31 THR OG1 : rot 99:sc= 0.0917 USER MOD Set 1.2: A 37 GLN : amide:sc= -7.07! C(o=-7!,f=-11!) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -139:sc= 1.25 (180deg=0) USER MOD Set 2.2: A 25 HIS : no HE2:sc= 0.00871 K(o=1.3,f=-4.1) USER MOD Single : A 1 LYS N :NH3+ 147:sc= -0.0896 (180deg=-0.683) USER MOD Single : A 1 LYS NZ :NH3+ -104:sc= -0.0534 (180deg=-0.822) USER MOD Single : A 4 SER OG : rot 180:sc= -0.135 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00959 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -2.28 K(o=-2.3,f=-12!) USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= -0.201 (180deg=-0.908) USER MOD Single : A 30 ASN : amide:sc= -0.0154 K(o=-0.015,f=-0.85) USER MOD Single : A 33 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc=-0.000615 X(o=-0.00062,f=0.034) USER MOD Single : A 45 ASN : amide:sc= -2.27 K(o=-2.3,f=-16!) USER MOD Single : A 46 ASN : amide:sc= -0.745 X(o=-0.74,f=-1.1) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= -0.115 (180deg=-0.861) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 61 TYR OH : rot -110:sc= -0.774 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -3.24! C(o=-3.2!,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.748 -20.584 16.543 1.00 0.00 N ATOM 2 CA LYS A 1 -10.866 -19.626 16.310 1.00 0.00 C ATOM 3 C LYS A 1 -10.864 -19.188 14.841 1.00 0.00 C ATOM 4 O LYS A 1 -9.813 -19.161 14.201 1.00 0.00 O ATOM 5 CB LYS A 1 -10.684 -18.401 17.209 1.00 0.00 C ATOM 6 CG LYS A 1 -9.289 -17.811 16.994 1.00 0.00 C ATOM 7 CD LYS A 1 -9.151 -16.517 17.801 1.00 0.00 C ATOM 8 CE LYS A 1 -9.052 -16.847 19.292 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.389 -16.674 19.929 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.383 -20.463 17.509 1.00 0.00 H new ATOM 0 H2 LYS A 1 -10.094 -21.557 16.423 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.986 -20.401 15.859 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.815 -20.109 16.544 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.445 -17.654 16.982 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.814 -18.681 18.254 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.528 -18.528 17.303 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.127 -17.611 15.935 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.265 -15.970 17.480 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.009 -15.870 17.618 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.703 -17.871 19.426 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.322 -16.196 19.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.402 -15.788 20.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.122 -16.638 19.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.577 -17.475 20.565 1.00 0.00 H new ATOM 25 N PRO A 2 -12.037 -18.841 14.285 1.00 0.00 N ATOM 26 CA PRO A 2 -12.149 -18.405 12.880 1.00 0.00 C ATOM 27 C PRO A 2 -11.826 -16.924 12.698 1.00 0.00 C ATOM 28 O PRO A 2 -11.874 -16.140 13.646 1.00 0.00 O ATOM 29 CB PRO A 2 -13.611 -18.681 12.559 1.00 0.00 C ATOM 30 CG PRO A 2 -14.367 -18.671 13.881 1.00 0.00 C ATOM 31 CD PRO A 2 -13.339 -18.851 15.001 1.00 0.00 C ATOM 0 HA PRO A 2 -11.444 -18.921 12.228 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.007 -17.923 11.883 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.721 -19.643 12.059 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.909 -17.734 14.005 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.106 -19.472 13.906 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.400 -18.047 15.734 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.493 -19.786 15.540 1.00 0.00 H new ATOM 39 N VAL A 3 -11.500 -16.550 11.463 1.00 0.00 N ATOM 40 CA VAL A 3 -11.171 -15.159 11.159 1.00 0.00 C ATOM 41 C VAL A 3 -11.841 -14.731 9.861 1.00 0.00 C ATOM 42 O VAL A 3 -12.704 -13.853 9.846 1.00 0.00 O ATOM 43 CB VAL A 3 -9.655 -14.980 11.023 1.00 0.00 C ATOM 44 CG1 VAL A 3 -9.325 -13.491 10.907 1.00 0.00 C ATOM 45 CG2 VAL A 3 -8.959 -15.559 12.257 1.00 0.00 C ATOM 0 H VAL A 3 -11.457 -17.183 10.664 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.533 -14.539 11.979 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.308 -15.501 10.131 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.247 -13.364 10.810 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.820 -13.076 10.029 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.673 -12.971 11.799 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.881 -15.432 12.160 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.307 -15.038 13.149 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.193 -16.620 12.342 1.00 0.00 H new ATOM 55 N SER A 4 -11.431 -15.368 8.776 1.00 0.00 N ATOM 56 CA SER A 4 -11.988 -15.061 7.461 1.00 0.00 C ATOM 57 C SER A 4 -11.407 -15.998 6.408 1.00 0.00 C ATOM 58 O SER A 4 -12.074 -16.918 5.936 1.00 0.00 O ATOM 59 CB SER A 4 -11.686 -13.611 7.076 1.00 0.00 C ATOM 60 OG SER A 4 -10.456 -13.214 7.668 1.00 0.00 O ATOM 0 H SER A 4 -10.718 -16.098 8.775 1.00 0.00 H new ATOM 0 HA SER A 4 -13.068 -15.199 7.508 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.629 -13.515 5.992 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.492 -12.958 7.412 1.00 0.00 H new ATOM 0 HG SER A 4 -10.259 -12.286 7.422 1.00 0.00 H new ATOM 66 N LEU A 5 -10.155 -15.749 6.046 1.00 0.00 N ATOM 67 CA LEU A 5 -9.474 -16.569 5.047 1.00 0.00 C ATOM 68 C LEU A 5 -10.222 -16.530 3.716 1.00 0.00 C ATOM 69 O LEU A 5 -10.223 -17.501 2.959 1.00 0.00 O ATOM 70 CB LEU A 5 -9.379 -18.021 5.520 1.00 0.00 C ATOM 71 CG LEU A 5 -8.171 -18.693 4.866 1.00 0.00 C ATOM 72 CD1 LEU A 5 -6.921 -18.428 5.706 1.00 0.00 C ATOM 73 CD2 LEU A 5 -8.415 -20.202 4.779 1.00 0.00 C ATOM 0 H LEU A 5 -9.591 -14.989 6.426 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.472 -16.163 4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.284 -18.056 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.291 -18.559 5.262 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.027 -18.287 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.061 -18.907 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.747 -17.354 5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.063 -18.834 6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.555 -20.683 4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.558 -20.606 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.306 -20.393 4.181 1.00 0.00 H new ATOM 85 N SER A 6 -10.857 -15.394 3.440 1.00 0.00 N ATOM 86 CA SER A 6 -11.607 -15.236 2.198 1.00 0.00 C ATOM 87 C SER A 6 -11.740 -13.759 1.840 1.00 0.00 C ATOM 88 O SER A 6 -12.231 -12.956 2.633 1.00 0.00 O ATOM 89 CB SER A 6 -13.004 -15.843 2.335 1.00 0.00 C ATOM 90 OG SER A 6 -13.721 -15.649 1.123 1.00 0.00 O ATOM 0 H SER A 6 -10.868 -14.578 4.052 1.00 0.00 H new ATOM 0 HA SER A 6 -11.063 -15.754 1.408 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.930 -16.907 2.561 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.536 -15.377 3.164 1.00 0.00 H new ATOM 0 HG SER A 6 -14.616 -16.038 1.207 1.00 0.00 H new ATOM 96 N TYR A 7 -11.294 -13.411 0.637 1.00 0.00 N ATOM 97 CA TYR A 7 -11.365 -12.026 0.182 1.00 0.00 C ATOM 98 C TYR A 7 -11.375 -11.966 -1.343 1.00 0.00 C ATOM 99 O TYR A 7 -10.895 -12.874 -2.019 1.00 0.00 O ATOM 100 CB TYR A 7 -10.170 -11.227 0.703 1.00 0.00 C ATOM 101 CG TYR A 7 -10.489 -10.684 2.076 1.00 0.00 C ATOM 102 CD1 TYR A 7 -11.378 -9.611 2.215 1.00 0.00 C ATOM 103 CD2 TYR A 7 -9.896 -11.254 3.209 1.00 0.00 C ATOM 104 CE1 TYR A 7 -11.674 -9.108 3.487 1.00 0.00 C ATOM 105 CE2 TYR A 7 -10.191 -10.750 4.483 1.00 0.00 C ATOM 106 CZ TYR A 7 -11.080 -9.677 4.621 1.00 0.00 C ATOM 107 OH TYR A 7 -11.372 -9.181 5.875 1.00 0.00 O ATOM 0 H TYR A 7 -10.884 -14.060 -0.034 1.00 0.00 H new ATOM 0 HA TYR A 7 -12.287 -11.593 0.570 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -9.285 -11.862 0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.940 -10.409 0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.835 -9.172 1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -9.211 -12.082 3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -12.360 -8.281 3.594 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.733 -11.189 5.357 1.00 0.00 H new ATOM 0 HH TYR A 7 -10.877 -9.689 6.551 1.00 0.00 H new ATOM 117 N ARG A 8 -11.931 -10.881 -1.874 1.00 0.00 N ATOM 118 CA ARG A 8 -12.003 -10.700 -3.323 1.00 0.00 C ATOM 119 C ARG A 8 -10.982 -9.667 -3.800 1.00 0.00 C ATOM 120 O ARG A 8 -10.588 -9.661 -4.966 1.00 0.00 O ATOM 121 CB ARG A 8 -13.405 -10.241 -3.733 1.00 0.00 C ATOM 122 CG ARG A 8 -14.369 -11.430 -3.680 1.00 0.00 C ATOM 123 CD ARG A 8 -15.746 -10.954 -3.212 1.00 0.00 C ATOM 124 NE ARG A 8 -15.892 -11.141 -1.771 1.00 0.00 N ATOM 125 CZ ARG A 8 -17.059 -10.929 -1.168 1.00 0.00 C ATOM 126 NH1 ARG A 8 -17.970 -11.864 -1.164 1.00 0.00 N ATOM 127 NH2 ARG A 8 -17.293 -9.788 -0.581 1.00 0.00 N ATOM 0 H ARG A 8 -12.335 -10.119 -1.330 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.779 -11.661 -3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.749 -9.450 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.382 -9.822 -4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.448 -11.891 -4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -13.986 -12.192 -3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.877 -9.901 -3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.525 -11.506 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 8 -15.088 -11.438 -1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -17.787 -12.756 -1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.865 -11.702 -0.702 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.581 -9.057 -0.584 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.188 -9.626 -0.119 1.00 0.00 H new ATOM 141 N CYS A 9 -10.557 -8.794 -2.889 1.00 0.00 N ATOM 142 CA CYS A 9 -9.579 -7.760 -3.234 1.00 0.00 C ATOM 143 C CYS A 9 -8.264 -8.412 -3.682 1.00 0.00 C ATOM 144 O CYS A 9 -8.038 -9.592 -3.419 1.00 0.00 O ATOM 145 CB CYS A 9 -9.304 -6.844 -2.030 1.00 0.00 C ATOM 146 SG CYS A 9 -10.858 -6.280 -1.267 1.00 0.00 S ATOM 0 H CYS A 9 -10.869 -8.779 -1.918 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.990 -7.161 -4.047 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -8.706 -7.378 -1.292 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -8.719 -5.982 -2.351 1.00 0.00 H new ATOM 151 N PRO A 10 -7.381 -7.663 -4.366 1.00 0.00 N ATOM 152 CA PRO A 10 -6.093 -8.207 -4.840 1.00 0.00 C ATOM 153 C PRO A 10 -5.035 -8.254 -3.741 1.00 0.00 C ATOM 154 O PRO A 10 -4.214 -9.170 -3.690 1.00 0.00 O ATOM 155 CB PRO A 10 -5.698 -7.234 -5.942 1.00 0.00 C ATOM 156 CG PRO A 10 -6.414 -5.923 -5.657 1.00 0.00 C ATOM 157 CD PRO A 10 -7.581 -6.234 -4.717 1.00 0.00 C ATOM 0 HA PRO A 10 -6.178 -9.241 -5.176 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.618 -7.088 -5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.982 -7.623 -6.920 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.733 -5.205 -5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.775 -5.474 -6.582 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.562 -5.598 -3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.542 -6.073 -5.205 1.00 0.00 H new ATOM 165 N CYS A 11 -5.072 -7.266 -2.854 1.00 0.00 N ATOM 166 CA CYS A 11 -4.116 -7.218 -1.751 1.00 0.00 C ATOM 167 C CYS A 11 -4.569 -8.148 -0.633 1.00 0.00 C ATOM 168 O CYS A 11 -5.755 -8.233 -0.314 1.00 0.00 O ATOM 169 CB CYS A 11 -3.985 -5.801 -1.194 1.00 0.00 C ATOM 170 SG CYS A 11 -2.989 -4.791 -2.321 1.00 0.00 S ATOM 0 H CYS A 11 -5.742 -6.498 -2.874 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.147 -7.536 -2.135 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.972 -5.357 -1.068 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.520 -5.829 -0.208 1.00 0.00 H new ATOM 175 N ARG A 12 -3.608 -8.846 -0.051 1.00 0.00 N ATOM 176 CA ARG A 12 -3.899 -9.783 1.031 1.00 0.00 C ATOM 177 C ARG A 12 -3.304 -9.276 2.339 1.00 0.00 C ATOM 178 O ARG A 12 -3.949 -9.302 3.387 1.00 0.00 O ATOM 179 CB ARG A 12 -3.311 -11.165 0.725 1.00 0.00 C ATOM 180 CG ARG A 12 -3.642 -11.566 -0.719 1.00 0.00 C ATOM 181 CD ARG A 12 -2.434 -11.292 -1.619 1.00 0.00 C ATOM 182 NE ARG A 12 -1.301 -12.126 -1.230 1.00 0.00 N ATOM 183 CZ ARG A 12 -0.846 -13.083 -2.033 1.00 0.00 C ATOM 184 NH1 ARG A 12 -1.338 -14.290 -1.953 1.00 0.00 N ATOM 185 NH2 ARG A 12 0.090 -12.816 -2.901 1.00 0.00 N ATOM 0 H ARG A 12 -2.622 -8.785 -0.305 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.982 -9.864 1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.231 -11.150 0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.715 -11.903 1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.908 -12.622 -0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.507 -11.005 -1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.697 -11.489 -2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.157 -10.240 -1.554 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.851 -11.972 -0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.071 -14.498 -1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.989 -15.025 -2.569 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.473 -11.873 -2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.439 -13.550 -3.517 1.00 0.00 H new ATOM 199 N PHE A 13 -2.064 -8.812 2.257 1.00 0.00 N ATOM 200 CA PHE A 13 -1.375 -8.291 3.434 1.00 0.00 C ATOM 201 C PHE A 13 -0.721 -6.956 3.106 1.00 0.00 C ATOM 202 O PHE A 13 -0.284 -6.722 1.979 1.00 0.00 O ATOM 203 CB PHE A 13 -0.299 -9.270 3.908 1.00 0.00 C ATOM 204 CG PHE A 13 -0.956 -10.460 4.566 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.422 -10.363 5.882 1.00 0.00 C ATOM 206 CD2 PHE A 13 -1.099 -11.660 3.859 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.031 -11.466 6.493 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.708 -12.763 4.470 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.174 -12.667 5.786 1.00 0.00 C ATOM 0 H PHE A 13 -1.517 -8.785 1.396 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.111 -8.158 4.227 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.308 -9.597 3.064 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.372 -8.777 4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.312 -9.437 6.427 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.740 -11.735 2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.390 -11.391 7.509 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.818 -13.689 3.925 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.644 -13.518 6.256 1.00 0.00 H new ATOM 219 N PHE A 14 -0.665 -6.079 4.102 1.00 0.00 N ATOM 220 CA PHE A 14 -0.069 -4.762 3.902 1.00 0.00 C ATOM 221 C PHE A 14 1.208 -4.608 4.715 1.00 0.00 C ATOM 222 O PHE A 14 1.255 -4.941 5.899 1.00 0.00 O ATOM 223 CB PHE A 14 -1.045 -3.665 4.318 1.00 0.00 C ATOM 224 CG PHE A 14 -2.032 -3.435 3.206 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.852 -4.480 2.768 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.123 -2.177 2.612 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.765 -4.262 1.731 1.00 0.00 C ATOM 228 CE2 PHE A 14 -3.034 -1.956 1.576 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.857 -2.999 1.134 1.00 0.00 C ATOM 0 H PHE A 14 -1.019 -6.251 5.043 1.00 0.00 H new ATOM 0 HA PHE A 14 0.165 -4.669 2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.567 -3.953 5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.504 -2.744 4.537 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.780 -5.454 3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.489 -1.372 2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.399 -5.068 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.103 -0.981 1.116 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.562 -2.829 0.334 1.00 0.00 H new ATOM 239 N GLU A 15 2.242 -4.087 4.063 1.00 0.00 N ATOM 240 CA GLU A 15 3.519 -3.875 4.734 1.00 0.00 C ATOM 241 C GLU A 15 3.608 -2.437 5.244 1.00 0.00 C ATOM 242 O GLU A 15 4.306 -1.599 4.674 1.00 0.00 O ATOM 243 CB GLU A 15 4.681 -4.148 3.777 1.00 0.00 C ATOM 244 CG GLU A 15 4.639 -5.608 3.325 1.00 0.00 C ATOM 245 CD GLU A 15 5.000 -6.516 4.497 1.00 0.00 C ATOM 246 OE1 GLU A 15 6.011 -6.257 5.130 1.00 0.00 O ATOM 247 OE2 GLU A 15 4.261 -7.454 4.744 1.00 0.00 O ATOM 0 H GLU A 15 2.222 -3.807 3.082 1.00 0.00 H new ATOM 0 HA GLU A 15 3.584 -4.565 5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.617 -3.487 2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.630 -3.936 4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.645 -5.856 2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.336 -5.765 2.502 1.00 0.00 H new ATOM 254 N SER A 16 2.886 -2.158 6.329 1.00 0.00 N ATOM 255 CA SER A 16 2.888 -0.815 6.909 1.00 0.00 C ATOM 256 C SER A 16 4.304 -0.401 7.307 1.00 0.00 C ATOM 257 O SER A 16 4.644 0.781 7.307 1.00 0.00 O ATOM 258 CB SER A 16 1.987 -0.761 8.144 1.00 0.00 C ATOM 259 OG SER A 16 2.231 -1.902 8.955 1.00 0.00 O ATOM 0 H SER A 16 2.300 -2.834 6.819 1.00 0.00 H new ATOM 0 HA SER A 16 2.510 -0.126 6.153 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.181 0.150 8.710 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.940 -0.732 7.843 1.00 0.00 H new ATOM 0 HG SER A 16 1.656 -1.869 9.748 1.00 0.00 H new ATOM 265 N HIS A 17 5.130 -1.391 7.642 1.00 0.00 N ATOM 266 CA HIS A 17 6.513 -1.119 8.034 1.00 0.00 C ATOM 267 C HIS A 17 7.275 -0.413 6.908 1.00 0.00 C ATOM 268 O HIS A 17 8.304 0.219 7.146 1.00 0.00 O ATOM 269 CB HIS A 17 7.235 -2.421 8.381 1.00 0.00 C ATOM 270 CG HIS A 17 6.656 -2.994 9.645 1.00 0.00 C ATOM 271 ND1 HIS A 17 5.799 -4.083 9.639 1.00 0.00 N ATOM 272 CD2 HIS A 17 6.802 -2.640 10.964 1.00 0.00 C ATOM 273 CE1 HIS A 17 5.464 -4.343 10.916 1.00 0.00 C ATOM 274 NE2 HIS A 17 6.048 -3.494 11.764 1.00 0.00 N ATOM 0 H HIS A 17 4.871 -2.377 7.650 1.00 0.00 H new ATOM 0 HA HIS A 17 6.486 -0.469 8.909 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.131 -3.136 7.564 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.301 -2.235 8.509 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.409 -1.823 11.325 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.803 -5.142 11.218 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.961 -3.475 12.780 1.00 0.00 H new ATOM 282 N VAL A 18 6.763 -0.526 5.678 1.00 0.00 N ATOM 283 CA VAL A 18 7.403 0.102 4.524 1.00 0.00 C ATOM 284 C VAL A 18 7.600 1.600 4.759 1.00 0.00 C ATOM 285 O VAL A 18 6.923 2.221 5.579 1.00 0.00 O ATOM 286 CB VAL A 18 6.546 -0.117 3.264 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.174 0.580 2.049 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.446 -1.617 2.979 1.00 0.00 C ATOM 0 H VAL A 18 5.912 -1.044 5.459 1.00 0.00 H new ATOM 0 HA VAL A 18 8.381 -0.358 4.383 1.00 0.00 H new ATOM 0 HB VAL A 18 5.556 0.305 3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.551 0.411 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.248 1.650 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.170 0.174 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.840 -1.778 2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.444 -2.024 2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.982 -2.119 3.828 1.00 0.00 H new ATOM 298 N ALA A 19 8.541 2.159 4.011 1.00 0.00 N ATOM 299 CA ALA A 19 8.853 3.578 4.103 1.00 0.00 C ATOM 300 C ALA A 19 9.291 4.088 2.734 1.00 0.00 C ATOM 301 O ALA A 19 10.024 3.412 2.014 1.00 0.00 O ATOM 302 CB ALA A 19 9.975 3.821 5.112 1.00 0.00 C ATOM 0 H ALA A 19 9.104 1.648 3.331 1.00 0.00 H new ATOM 0 HA ALA A 19 7.961 4.110 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.192 4.888 5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.664 3.465 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.870 3.284 4.797 1.00 0.00 H new ATOM 308 N ARG A 20 8.825 5.286 2.380 1.00 0.00 N ATOM 309 CA ARG A 20 9.154 5.898 1.082 1.00 0.00 C ATOM 310 C ARG A 20 10.637 5.740 0.727 1.00 0.00 C ATOM 311 O ARG A 20 11.003 5.678 -0.446 1.00 0.00 O ATOM 312 CB ARG A 20 8.806 7.384 1.096 1.00 0.00 C ATOM 313 CG ARG A 20 8.564 7.868 -0.336 1.00 0.00 C ATOM 314 CD ARG A 20 8.934 9.348 -0.448 1.00 0.00 C ATOM 315 NE ARG A 20 9.507 9.640 -1.759 1.00 0.00 N ATOM 316 CZ ARG A 20 10.285 10.702 -1.946 1.00 0.00 C ATOM 317 NH1 ARG A 20 11.446 10.773 -1.355 1.00 0.00 N ATOM 318 NH2 ARG A 20 9.886 11.674 -2.720 1.00 0.00 N ATOM 0 H ARG A 20 8.219 5.856 2.970 1.00 0.00 H new ATOM 0 HA ARG A 20 8.564 5.378 0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.917 7.554 1.703 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.616 7.953 1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.159 7.280 -1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.518 7.723 -0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.048 9.962 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.648 9.609 0.333 1.00 0.00 H new ATOM 0 HE ARG A 20 9.307 9.020 -2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.757 10.014 -0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.042 11.588 -1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.978 11.619 -3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.482 12.489 -2.864 1.00 0.00 H new ATOM 332 N ALA A 21 11.482 5.673 1.752 1.00 0.00 N ATOM 333 CA ALA A 21 12.919 5.518 1.532 1.00 0.00 C ATOM 334 C ALA A 21 13.215 4.219 0.784 1.00 0.00 C ATOM 335 O ALA A 21 13.764 4.232 -0.318 1.00 0.00 O ATOM 336 CB ALA A 21 13.667 5.504 2.867 1.00 0.00 C ATOM 0 H ALA A 21 11.203 5.723 2.732 1.00 0.00 H new ATOM 0 HA ALA A 21 13.256 6.364 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.735 5.388 2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.489 6.441 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.310 4.673 3.475 1.00 0.00 H new ATOM 342 N ASN A 22 12.851 3.100 1.400 1.00 0.00 N ATOM 343 CA ASN A 22 13.085 1.793 0.794 1.00 0.00 C ATOM 344 C ASN A 22 12.082 1.495 -0.323 1.00 0.00 C ATOM 345 O ASN A 22 12.218 0.497 -1.029 1.00 0.00 O ATOM 346 CB ASN A 22 12.993 0.697 1.856 1.00 0.00 C ATOM 347 CG ASN A 22 11.639 0.762 2.550 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.345 1.719 3.266 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.789 -0.214 2.385 1.00 0.00 N ATOM 0 H ASN A 22 12.396 3.070 2.312 1.00 0.00 H new ATOM 0 HA ASN A 22 14.085 1.811 0.360 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.129 -0.281 1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.793 0.818 2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.881 -0.184 2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.032 -1.007 1.792 1.00 0.00 H new ATOM 356 N VAL A 23 11.083 2.362 -0.501 1.00 0.00 N ATOM 357 CA VAL A 23 10.104 2.147 -1.563 1.00 0.00 C ATOM 358 C VAL A 23 10.718 2.563 -2.896 1.00 0.00 C ATOM 359 O VAL A 23 11.345 3.616 -3.006 1.00 0.00 O ATOM 360 CB VAL A 23 8.826 2.954 -1.307 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.779 2.617 -2.373 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.266 2.608 0.083 1.00 0.00 C ATOM 0 H VAL A 23 10.934 3.199 0.062 1.00 0.00 H new ATOM 0 HA VAL A 23 9.837 1.090 -1.586 1.00 0.00 H new ATOM 0 HB VAL A 23 9.060 4.018 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.872 3.193 -2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.171 2.865 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.548 1.553 -2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.358 3.183 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.037 1.543 0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.006 2.852 0.845 1.00 0.00 H new ATOM 372 N LYS A 24 10.548 1.714 -3.901 1.00 0.00 N ATOM 373 CA LYS A 24 11.111 1.991 -5.221 1.00 0.00 C ATOM 374 C LYS A 24 10.128 2.779 -6.077 1.00 0.00 C ATOM 375 O LYS A 24 10.462 3.832 -6.619 1.00 0.00 O ATOM 376 CB LYS A 24 11.455 0.682 -5.939 1.00 0.00 C ATOM 377 CG LYS A 24 12.725 0.871 -6.773 1.00 0.00 C ATOM 378 CD LYS A 24 12.391 1.657 -8.042 1.00 0.00 C ATOM 379 CE LYS A 24 13.649 1.798 -8.902 1.00 0.00 C ATOM 380 NZ LYS A 24 13.510 2.983 -9.795 1.00 0.00 N ATOM 0 H LYS A 24 10.032 0.837 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 24 12.016 2.582 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.601 -0.116 -5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.628 0.380 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.479 1.402 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.149 -0.099 -7.034 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.609 1.146 -8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.004 2.642 -7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.527 1.910 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.799 0.897 -9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.880 2.752 -10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.506 3.245 -9.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.047 3.781 -9.399 1.00 0.00 H new ATOM 394 N HIS A 25 8.913 2.258 -6.198 1.00 0.00 N ATOM 395 CA HIS A 25 7.894 2.927 -7.001 1.00 0.00 C ATOM 396 C HIS A 25 6.507 2.666 -6.431 1.00 0.00 C ATOM 397 O HIS A 25 6.298 1.715 -5.678 1.00 0.00 O ATOM 398 CB HIS A 25 7.939 2.430 -8.447 1.00 0.00 C ATOM 399 CG HIS A 25 9.014 3.167 -9.198 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.116 4.549 -9.177 1.00 0.00 N ATOM 401 CD2 HIS A 25 10.042 2.727 -9.996 1.00 0.00 C ATOM 402 CE1 HIS A 25 10.171 4.889 -9.940 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.770 3.816 -10.463 1.00 0.00 N ATOM 0 H HIS A 25 8.611 1.388 -5.759 1.00 0.00 H new ATOM 0 HA HIS A 25 8.100 3.997 -6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.135 1.358 -8.468 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.973 2.587 -8.927 1.00 0.00 H new ATOM 0 HD1 HIS A 25 8.503 5.191 -8.675 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.253 1.693 -10.226 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.494 5.906 -10.109 1.00 0.00 H new ATOM 411 N LEU A 26 5.558 3.521 -6.801 1.00 0.00 N ATOM 412 CA LEU A 26 4.190 3.370 -6.320 1.00 0.00 C ATOM 413 C LEU A 26 3.245 3.040 -7.466 1.00 0.00 C ATOM 414 O LEU A 26 3.407 3.514 -8.591 1.00 0.00 O ATOM 415 CB LEU A 26 3.695 4.652 -5.648 1.00 0.00 C ATOM 416 CG LEU A 26 4.013 4.636 -4.148 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.531 5.944 -3.517 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.293 3.463 -3.477 1.00 0.00 C ATOM 0 H LEU A 26 5.708 4.315 -7.424 1.00 0.00 H new ATOM 0 HA LEU A 26 4.197 2.555 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.165 5.518 -6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.620 4.754 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 26 5.089 4.528 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.755 5.938 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.039 6.785 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.455 6.043 -3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.523 3.457 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.217 3.569 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.626 2.527 -3.926 1.00 0.00 H new ATOM 430 N LYS A 27 2.247 2.234 -7.146 1.00 0.00 N ATOM 431 CA LYS A 27 1.240 1.839 -8.128 1.00 0.00 C ATOM 432 C LYS A 27 -0.078 1.552 -7.415 1.00 0.00 C ATOM 433 O LYS A 27 -0.092 1.244 -6.226 1.00 0.00 O ATOM 434 CB LYS A 27 1.689 0.589 -8.894 1.00 0.00 C ATOM 435 CG LYS A 27 2.318 1.002 -10.229 1.00 0.00 C ATOM 436 CD LYS A 27 3.839 1.078 -10.077 1.00 0.00 C ATOM 437 CE LYS A 27 4.463 -0.251 -10.507 1.00 0.00 C ATOM 438 NZ LYS A 27 4.234 -0.458 -11.966 1.00 0.00 N ATOM 0 H LYS A 27 2.109 1.838 -6.216 1.00 0.00 H new ATOM 0 HA LYS A 27 1.108 2.654 -8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.409 0.025 -8.300 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.837 -0.068 -9.070 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.055 0.283 -11.005 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.925 1.969 -10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.235 1.891 -10.685 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.101 1.297 -9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.532 -0.250 -10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.025 -1.072 -9.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.055 -0.943 -12.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.382 -1.039 -12.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.105 0.463 -12.431 1.00 0.00 H new ATOM 452 N ILE A 28 -1.185 1.664 -8.142 1.00 0.00 N ATOM 453 CA ILE A 28 -2.493 1.420 -7.549 1.00 0.00 C ATOM 454 C ILE A 28 -3.367 0.602 -8.498 1.00 0.00 C ATOM 455 O ILE A 28 -3.252 0.705 -9.718 1.00 0.00 O ATOM 456 CB ILE A 28 -3.193 2.745 -7.243 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.274 3.622 -6.388 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.489 2.473 -6.479 1.00 0.00 C ATOM 459 CD1 ILE A 28 -1.473 4.557 -7.297 1.00 0.00 C ATOM 0 H ILE A 28 -1.203 1.919 -9.130 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.346 0.863 -6.624 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.422 3.258 -8.177 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.864 4.203 -5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.598 2.998 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.988 3.417 -6.261 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.144 1.848 -7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.260 1.960 -5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.818 5.182 -6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.872 3.966 -7.988 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.158 5.190 -7.862 1.00 0.00 H new ATOM 471 N LEU A 29 -4.251 -0.203 -7.914 1.00 0.00 N ATOM 472 CA LEU A 29 -5.154 -1.029 -8.708 1.00 0.00 C ATOM 473 C LEU A 29 -6.593 -0.574 -8.498 1.00 0.00 C ATOM 474 O LEU A 29 -7.132 -0.658 -7.393 1.00 0.00 O ATOM 475 CB LEU A 29 -5.036 -2.506 -8.306 1.00 0.00 C ATOM 476 CG LEU A 29 -3.786 -3.140 -8.938 1.00 0.00 C ATOM 477 CD1 LEU A 29 -3.878 -3.072 -10.465 1.00 0.00 C ATOM 478 CD2 LEU A 29 -2.530 -2.398 -8.469 1.00 0.00 C ATOM 0 H LEU A 29 -4.360 -0.300 -6.905 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.878 -0.921 -9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.984 -2.590 -7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.926 -3.048 -8.625 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.727 -4.183 -8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.988 -3.523 -10.904 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.763 -3.613 -10.801 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.949 -2.031 -10.779 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.649 -2.853 -8.921 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.592 -1.352 -8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.454 -2.461 -7.383 1.00 0.00 H new ATOM 490 N ASN A 30 -7.207 -0.084 -9.568 1.00 0.00 N ATOM 491 CA ASN A 30 -8.585 0.393 -9.492 1.00 0.00 C ATOM 492 C ASN A 30 -9.563 -0.758 -9.702 1.00 0.00 C ATOM 493 O ASN A 30 -9.895 -1.112 -10.833 1.00 0.00 O ATOM 494 CB ASN A 30 -8.841 1.463 -10.556 1.00 0.00 C ATOM 495 CG ASN A 30 -10.168 2.157 -10.272 1.00 0.00 C ATOM 496 OD1 ASN A 30 -10.478 2.472 -9.123 1.00 0.00 O ATOM 497 ND2 ASN A 30 -10.980 2.416 -11.260 1.00 0.00 N ATOM 0 H ASN A 30 -6.779 -0.006 -10.491 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.736 0.821 -8.501 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.030 2.192 -10.556 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.861 1.008 -11.546 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.871 2.879 -11.080 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.724 2.155 -12.212 1.00 0.00 H new ATOM 504 N THR A 31 -10.021 -1.336 -8.596 1.00 0.00 N ATOM 505 CA THR A 31 -10.966 -2.446 -8.662 1.00 0.00 C ATOM 506 C THR A 31 -12.349 -1.989 -8.186 1.00 0.00 C ATOM 507 O THR A 31 -12.450 -1.170 -7.273 1.00 0.00 O ATOM 508 CB THR A 31 -10.490 -3.603 -7.779 1.00 0.00 C ATOM 509 OG1 THR A 31 -9.072 -3.573 -7.687 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.936 -4.933 -8.387 1.00 0.00 C ATOM 0 H THR A 31 -9.756 -1.058 -7.651 1.00 0.00 H new ATOM 0 HA THR A 31 -11.028 -2.783 -9.697 1.00 0.00 H new ATOM 0 HB THR A 31 -10.922 -3.501 -6.784 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.808 -3.148 -6.845 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.595 -5.754 -7.756 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.024 -4.955 -8.456 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.507 -5.039 -9.383 1.00 0.00 H new ATOM 518 N PRO A 32 -13.434 -2.505 -8.788 1.00 0.00 N ATOM 519 CA PRO A 32 -14.806 -2.124 -8.398 1.00 0.00 C ATOM 520 C PRO A 32 -15.309 -2.912 -7.193 1.00 0.00 C ATOM 521 O PRO A 32 -15.866 -2.349 -6.251 1.00 0.00 O ATOM 522 CB PRO A 32 -15.616 -2.463 -9.642 1.00 0.00 C ATOM 523 CG PRO A 32 -14.838 -3.526 -10.405 1.00 0.00 C ATOM 524 CD PRO A 32 -13.395 -3.496 -9.893 1.00 0.00 C ATOM 0 HA PRO A 32 -14.877 -1.080 -8.093 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.605 -2.831 -9.369 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.764 -1.577 -10.259 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -15.280 -4.510 -10.249 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.869 -3.329 -11.477 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -13.075 -4.476 -9.540 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.699 -3.196 -10.676 1.00 0.00 H new ATOM 532 N ASN A 33 -15.103 -4.223 -7.238 1.00 0.00 N ATOM 533 CA ASN A 33 -15.532 -5.096 -6.152 1.00 0.00 C ATOM 534 C ASN A 33 -14.885 -4.681 -4.829 1.00 0.00 C ATOM 535 O ASN A 33 -15.433 -4.922 -3.754 1.00 0.00 O ATOM 536 CB ASN A 33 -15.158 -6.549 -6.456 1.00 0.00 C ATOM 537 CG ASN A 33 -16.219 -7.484 -5.883 1.00 0.00 C ATOM 538 OD1 ASN A 33 -17.371 -7.091 -5.703 1.00 0.00 O ATOM 539 ND2 ASN A 33 -15.894 -8.712 -5.585 1.00 0.00 N ATOM 0 H ASN A 33 -14.643 -4.703 -8.012 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.615 -5.007 -6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.074 -6.695 -7.533 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.184 -6.782 -6.026 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.595 -9.347 -5.203 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.939 -9.037 -5.734 1.00 0.00 H new ATOM 546 N CYS A 34 -13.710 -4.058 -4.920 1.00 0.00 N ATOM 547 CA CYS A 34 -12.999 -3.617 -3.723 1.00 0.00 C ATOM 548 C CYS A 34 -12.621 -2.143 -3.841 1.00 0.00 C ATOM 549 O CYS A 34 -12.906 -1.493 -4.847 1.00 0.00 O ATOM 550 CB CYS A 34 -11.729 -4.448 -3.523 1.00 0.00 C ATOM 551 SG CYS A 34 -12.166 -6.044 -2.792 1.00 0.00 S ATOM 0 H CYS A 34 -13.236 -3.850 -5.799 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.659 -3.752 -2.866 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -11.225 -4.598 -4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.032 -3.917 -2.875 1.00 0.00 H new ATOM 556 N ALA A 35 -11.978 -1.623 -2.799 1.00 0.00 N ATOM 557 CA ALA A 35 -11.567 -0.222 -2.790 1.00 0.00 C ATOM 558 C ALA A 35 -10.236 -0.049 -3.522 1.00 0.00 C ATOM 559 O ALA A 35 -9.759 -0.964 -4.194 1.00 0.00 O ATOM 560 CB ALA A 35 -11.420 0.280 -1.352 1.00 0.00 C ATOM 0 H ALA A 35 -11.732 -2.145 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.335 0.359 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.113 1.326 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.375 0.187 -0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.667 -0.314 -0.834 1.00 0.00 H new ATOM 566 N LEU A 36 -9.644 1.135 -3.382 1.00 0.00 N ATOM 567 CA LEU A 36 -8.367 1.423 -4.031 1.00 0.00 C ATOM 568 C LEU A 36 -7.218 0.815 -3.233 1.00 0.00 C ATOM 569 O LEU A 36 -6.771 1.376 -2.234 1.00 0.00 O ATOM 570 CB LEU A 36 -8.152 2.933 -4.140 1.00 0.00 C ATOM 571 CG LEU A 36 -8.778 3.445 -5.439 1.00 0.00 C ATOM 572 CD1 LEU A 36 -8.914 4.967 -5.375 1.00 0.00 C ATOM 573 CD2 LEU A 36 -7.883 3.064 -6.619 1.00 0.00 C ATOM 0 H LEU A 36 -10.024 1.904 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.389 0.986 -5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.600 3.438 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.086 3.162 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.763 2.997 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.360 5.332 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.550 5.240 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.929 5.415 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.328 3.428 -7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.898 3.513 -6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.784 1.979 -6.666 1.00 0.00 H new ATOM 585 N GLN A 37 -6.742 -0.337 -3.695 1.00 0.00 N ATOM 586 CA GLN A 37 -5.634 -1.015 -3.025 1.00 0.00 C ATOM 587 C GLN A 37 -4.314 -0.497 -3.577 1.00 0.00 C ATOM 588 O GLN A 37 -3.875 -0.906 -4.653 1.00 0.00 O ATOM 589 CB GLN A 37 -5.699 -2.531 -3.249 1.00 0.00 C ATOM 590 CG GLN A 37 -7.101 -3.052 -2.918 1.00 0.00 C ATOM 591 CD GLN A 37 -7.961 -3.034 -4.178 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.682 -2.289 -5.118 1.00 0.00 O ATOM 593 NE2 GLN A 37 -9.000 -3.816 -4.257 1.00 0.00 N ATOM 0 H GLN A 37 -7.100 -0.817 -4.521 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.708 -0.812 -1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.451 -2.764 -4.284 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.960 -3.031 -2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.040 -4.065 -2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.557 -2.434 -2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.233 -4.434 -3.480 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.580 -3.810 -5.096 1.00 0.00 H new ATOM 602 N ILE A 38 -3.684 0.414 -2.838 1.00 0.00 N ATOM 603 CA ILE A 38 -2.416 0.973 -3.289 1.00 0.00 C ATOM 604 C ILE A 38 -1.315 -0.072 -3.200 1.00 0.00 C ATOM 605 O ILE A 38 -0.975 -0.564 -2.120 1.00 0.00 O ATOM 606 CB ILE A 38 -2.011 2.196 -2.466 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.169 3.198 -2.428 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.790 2.859 -3.119 1.00 0.00 C ATOM 609 CD1 ILE A 38 -2.958 4.179 -1.275 1.00 0.00 C ATOM 0 H ILE A 38 -4.022 0.773 -1.945 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.552 1.283 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.767 1.886 -1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.227 3.738 -3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.115 2.672 -2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.496 3.732 -2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.036 2.149 -3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.043 3.167 -4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.782 4.892 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.921 3.631 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.020 4.714 -1.420 1.00 0.00 H new ATOM 621 N VAL A 39 -0.745 -0.379 -4.353 1.00 0.00 N ATOM 622 CA VAL A 39 0.340 -1.344 -4.420 1.00 0.00 C ATOM 623 C VAL A 39 1.662 -0.597 -4.476 1.00 0.00 C ATOM 624 O VAL A 39 1.690 0.629 -4.600 1.00 0.00 O ATOM 625 CB VAL A 39 0.203 -2.248 -5.651 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.095 -3.051 -5.550 1.00 0.00 C ATOM 627 CG2 VAL A 39 0.173 -1.395 -6.920 1.00 0.00 C ATOM 0 H VAL A 39 -1.013 0.023 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 39 0.302 -1.977 -3.533 1.00 0.00 H new ATOM 0 HB VAL A 39 1.054 -2.928 -5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.194 -3.694 -6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.074 -3.664 -4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.943 -2.368 -5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.076 -2.042 -7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.675 -0.712 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.097 -0.822 -6.995 1.00 0.00 H new ATOM 637 N ALA A 40 2.753 -1.332 -4.360 1.00 0.00 N ATOM 638 CA ALA A 40 4.064 -0.707 -4.375 1.00 0.00 C ATOM 639 C ALA A 40 5.154 -1.713 -4.678 1.00 0.00 C ATOM 640 O ALA A 40 4.897 -2.899 -4.862 1.00 0.00 O ATOM 641 CB ALA A 40 4.354 -0.092 -3.015 1.00 0.00 C ATOM 0 H ALA A 40 2.760 -2.347 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 40 4.055 0.056 -5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.338 0.376 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.598 0.660 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.334 -0.870 -2.252 1.00 0.00 H new ATOM 647 N ARG A 41 6.381 -1.213 -4.701 1.00 0.00 N ATOM 648 CA ARG A 41 7.543 -2.055 -4.954 1.00 0.00 C ATOM 649 C ARG A 41 8.713 -1.591 -4.087 1.00 0.00 C ATOM 650 O ARG A 41 9.243 -0.494 -4.270 1.00 0.00 O ATOM 651 CB ARG A 41 7.934 -1.999 -6.431 1.00 0.00 C ATOM 652 CG ARG A 41 9.104 -2.959 -6.707 1.00 0.00 C ATOM 653 CD ARG A 41 8.723 -3.937 -7.823 1.00 0.00 C ATOM 654 NE ARG A 41 9.899 -4.309 -8.605 1.00 0.00 N ATOM 655 CZ ARG A 41 9.823 -5.231 -9.560 1.00 0.00 C ATOM 656 NH1 ARG A 41 9.320 -4.925 -10.724 1.00 0.00 N ATOM 657 NH2 ARG A 41 10.250 -6.444 -9.332 1.00 0.00 N ATOM 0 H ARG A 41 6.598 -0.228 -4.548 1.00 0.00 H new ATOM 0 HA ARG A 41 7.292 -3.085 -4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.079 -2.268 -7.052 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.217 -0.982 -6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.990 -2.393 -6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.357 -3.509 -5.800 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.269 -4.829 -7.392 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.976 -3.482 -8.474 1.00 0.00 H new ATOM 0 HE ARG A 41 10.792 -3.855 -8.416 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.985 -3.978 -10.902 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.262 -5.633 -11.456 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.642 -6.684 -8.421 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.192 -7.151 -10.065 1.00 0.00 H new ATOM 671 N LEU A 42 9.089 -2.437 -3.125 1.00 0.00 N ATOM 672 CA LEU A 42 10.175 -2.117 -2.204 1.00 0.00 C ATOM 673 C LEU A 42 11.539 -2.358 -2.845 1.00 0.00 C ATOM 674 O LEU A 42 11.658 -3.059 -3.853 1.00 0.00 O ATOM 675 CB LEU A 42 10.069 -2.977 -0.948 1.00 0.00 C ATOM 676 CG LEU A 42 8.662 -2.874 -0.358 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.540 -3.829 0.830 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.408 -1.442 0.113 1.00 0.00 C ATOM 0 H LEU A 42 8.656 -3.347 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 42 10.085 -1.061 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.296 -4.016 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.805 -2.652 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 42 7.928 -3.140 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.538 -3.758 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.721 -4.851 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.274 -3.560 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.405 -1.370 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.141 -1.174 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.497 -0.760 -0.732 1.00 0.00 H new ATOM 690 N LYS A 43 12.567 -1.762 -2.235 1.00 0.00 N ATOM 691 CA LYS A 43 13.937 -1.895 -2.731 1.00 0.00 C ATOM 692 C LYS A 43 14.775 -2.769 -1.800 1.00 0.00 C ATOM 693 O LYS A 43 15.616 -3.548 -2.250 1.00 0.00 O ATOM 694 CB LYS A 43 14.596 -0.511 -2.837 1.00 0.00 C ATOM 695 CG LYS A 43 14.512 -0.006 -4.277 1.00 0.00 C ATOM 696 CD LYS A 43 15.563 -0.716 -5.133 1.00 0.00 C ATOM 697 CE LYS A 43 16.899 0.020 -5.015 1.00 0.00 C ATOM 698 NZ LYS A 43 17.970 -0.789 -5.664 1.00 0.00 N ATOM 0 H LYS A 43 12.476 -1.184 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 43 13.891 -2.364 -3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.100 0.190 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.638 -0.569 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.516 -0.190 -4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.673 1.072 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.675 -1.750 -4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.241 -0.743 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.830 0.999 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.142 0.190 -3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.879 -0.290 -5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 18.041 -1.713 -5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.739 -0.929 -6.668 1.00 0.00 H new ATOM 712 N ASN A 44 14.547 -2.621 -0.495 1.00 0.00 N ATOM 713 CA ASN A 44 15.295 -3.388 0.510 1.00 0.00 C ATOM 714 C ASN A 44 15.345 -4.875 0.152 1.00 0.00 C ATOM 715 O ASN A 44 16.358 -5.546 0.357 1.00 0.00 O ATOM 716 CB ASN A 44 14.646 -3.232 1.887 1.00 0.00 C ATOM 717 CG ASN A 44 15.716 -3.341 2.968 1.00 0.00 C ATOM 718 OD1 ASN A 44 16.614 -4.178 2.881 1.00 0.00 O ATOM 719 ND2 ASN A 44 15.673 -2.535 3.993 1.00 0.00 N ATOM 0 H ASN A 44 13.854 -1.981 -0.107 1.00 0.00 H new ATOM 0 HA ASN A 44 16.312 -2.996 0.531 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.141 -2.268 1.956 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.887 -4.001 2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.384 -2.599 4.722 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.929 -1.841 4.065 1.00 0.00 H new ATOM 726 N ASN A 45 14.238 -5.373 -0.382 1.00 0.00 N ATOM 727 CA ASN A 45 14.153 -6.782 -0.768 1.00 0.00 C ATOM 728 C ASN A 45 13.944 -6.928 -2.279 1.00 0.00 C ATOM 729 O ASN A 45 14.282 -7.955 -2.865 1.00 0.00 O ATOM 730 CB ASN A 45 12.997 -7.465 -0.031 1.00 0.00 C ATOM 731 CG ASN A 45 11.676 -6.776 -0.367 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.661 -5.703 -0.966 1.00 0.00 O ATOM 733 ND2 ASN A 45 10.553 -7.338 -0.011 1.00 0.00 N ATOM 0 H ASN A 45 13.392 -4.831 -0.558 1.00 0.00 H new ATOM 0 HA ASN A 45 15.095 -7.259 -0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.948 -8.517 -0.312 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.171 -7.430 1.045 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.665 -6.887 -0.230 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.564 -8.229 0.486 1.00 0.00 H new ATOM 740 N ASN A 46 13.370 -5.892 -2.897 1.00 0.00 N ATOM 741 CA ASN A 46 13.097 -5.900 -4.339 1.00 0.00 C ATOM 742 C ASN A 46 11.887 -6.779 -4.629 1.00 0.00 C ATOM 743 O ASN A 46 12.015 -7.909 -5.102 1.00 0.00 O ATOM 744 CB ASN A 46 14.301 -6.407 -5.153 1.00 0.00 C ATOM 745 CG ASN A 46 15.578 -5.733 -4.660 1.00 0.00 C ATOM 746 OD1 ASN A 46 16.273 -6.263 -3.793 1.00 0.00 O ATOM 747 ND2 ASN A 46 15.932 -4.584 -5.168 1.00 0.00 N ATOM 0 H ASN A 46 13.085 -5.036 -2.422 1.00 0.00 H new ATOM 0 HA ASN A 46 12.898 -4.871 -4.640 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.389 -7.489 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.152 -6.194 -6.212 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.784 -4.125 -4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.356 -4.145 -5.886 1.00 0.00 H new ATOM 754 N ARG A 47 10.706 -6.243 -4.334 1.00 0.00 N ATOM 755 CA ARG A 47 9.463 -6.982 -4.557 1.00 0.00 C ATOM 756 C ARG A 47 8.267 -6.035 -4.494 1.00 0.00 C ATOM 757 O ARG A 47 8.384 -4.898 -4.040 1.00 0.00 O ATOM 758 CB ARG A 47 9.296 -8.082 -3.498 1.00 0.00 C ATOM 759 CG ARG A 47 9.635 -9.447 -4.108 1.00 0.00 C ATOM 760 CD ARG A 47 8.347 -10.152 -4.540 1.00 0.00 C ATOM 761 NE ARG A 47 7.882 -11.061 -3.497 1.00 0.00 N ATOM 762 CZ ARG A 47 7.963 -12.380 -3.652 1.00 0.00 C ATOM 763 NH1 ARG A 47 9.029 -12.910 -4.186 1.00 0.00 N ATOM 764 NH2 ARG A 47 6.977 -13.144 -3.269 1.00 0.00 N ATOM 0 H ARG A 47 10.582 -5.309 -3.944 1.00 0.00 H new ATOM 0 HA ARG A 47 9.511 -7.440 -5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.947 -7.882 -2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.273 -8.085 -3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.296 -9.319 -4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.170 -10.058 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.576 -9.412 -4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.522 -10.707 -5.462 1.00 0.00 H new ATOM 0 HE ARG A 47 7.489 -10.679 -2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.800 -12.313 -4.485 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.091 -13.921 -4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.144 -12.730 -2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.039 -14.155 -3.388 1.00 0.00 H new ATOM 778 N GLN A 48 7.117 -6.517 -4.960 1.00 0.00 N ATOM 779 CA GLN A 48 5.903 -5.705 -4.958 1.00 0.00 C ATOM 780 C GLN A 48 5.061 -5.992 -3.717 1.00 0.00 C ATOM 781 O GLN A 48 4.893 -7.146 -3.322 1.00 0.00 O ATOM 782 CB GLN A 48 5.066 -5.997 -6.208 1.00 0.00 C ATOM 783 CG GLN A 48 3.901 -5.008 -6.294 1.00 0.00 C ATOM 784 CD GLN A 48 2.729 -5.664 -7.015 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.887 -6.204 -8.109 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.547 -5.647 -6.461 1.00 0.00 N ATOM 0 H GLN A 48 7.000 -7.456 -5.340 1.00 0.00 H new ATOM 0 HA GLN A 48 6.202 -4.657 -4.953 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.688 -5.919 -7.100 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.686 -7.018 -6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.599 -4.698 -5.294 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.212 -4.109 -6.826 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.415 -5.199 -5.554 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.755 -6.081 -6.935 1.00 0.00 H new ATOM 795 N VAL A 49 4.530 -4.932 -3.099 1.00 0.00 N ATOM 796 CA VAL A 49 3.706 -5.111 -1.897 1.00 0.00 C ATOM 797 C VAL A 49 2.544 -4.126 -1.871 1.00 0.00 C ATOM 798 O VAL A 49 2.422 -3.263 -2.732 1.00 0.00 O ATOM 799 CB VAL A 49 4.532 -4.897 -0.624 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.472 -6.081 -0.410 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.350 -3.609 -0.749 1.00 0.00 C ATOM 0 H VAL A 49 4.650 -3.965 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 49 3.326 -6.132 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 49 3.858 -4.816 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.056 -5.923 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.888 -6.996 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.144 -6.171 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.936 -3.461 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.020 -3.685 -1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.677 -2.763 -0.889 1.00 0.00 H new ATOM 811 N CYS A 50 1.707 -4.259 -0.846 1.00 0.00 N ATOM 812 CA CYS A 50 0.568 -3.364 -0.675 1.00 0.00 C ATOM 813 C CYS A 50 0.848 -2.455 0.514 1.00 0.00 C ATOM 814 O CYS A 50 0.900 -2.912 1.655 1.00 0.00 O ATOM 815 CB CYS A 50 -0.716 -4.155 -0.413 1.00 0.00 C ATOM 816 SG CYS A 50 -1.076 -5.224 -1.831 1.00 0.00 S ATOM 0 H CYS A 50 1.796 -4.975 -0.125 1.00 0.00 H new ATOM 0 HA CYS A 50 0.431 -2.782 -1.586 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.606 -4.757 0.489 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.547 -3.471 -0.241 1.00 0.00 H new ATOM 821 N ILE A 51 1.058 -1.170 0.245 1.00 0.00 N ATOM 822 CA ILE A 51 1.365 -0.237 1.326 1.00 0.00 C ATOM 823 C ILE A 51 0.101 0.222 2.028 1.00 0.00 C ATOM 824 O ILE A 51 -0.982 0.262 1.445 1.00 0.00 O ATOM 825 CB ILE A 51 2.136 0.980 0.816 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.329 0.512 -0.015 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.651 1.780 2.012 1.00 0.00 C ATOM 828 CD1 ILE A 51 4.021 1.718 -0.643 1.00 0.00 C ATOM 0 H ILE A 51 1.023 -0.758 -0.687 1.00 0.00 H new ATOM 0 HA ILE A 51 1.993 -0.773 2.038 1.00 0.00 H new ATOM 0 HB ILE A 51 1.480 1.599 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.031 -0.036 0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.996 -0.175 -0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.203 2.651 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.808 2.108 2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.310 1.153 2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.872 1.382 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.318 2.247 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.369 2.388 0.143 1.00 0.00 H new ATOM 840 N ASP A 52 0.258 0.549 3.306 1.00 0.00 N ATOM 841 CA ASP A 52 -0.866 0.986 4.122 1.00 0.00 C ATOM 842 C ASP A 52 -1.197 2.458 3.838 1.00 0.00 C ATOM 843 O ASP A 52 -0.294 3.271 3.636 1.00 0.00 O ATOM 844 CB ASP A 52 -0.523 0.819 5.612 1.00 0.00 C ATOM 845 CG ASP A 52 -1.607 -0.002 6.308 1.00 0.00 C ATOM 846 OD1 ASP A 52 -1.731 -1.173 5.991 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.296 0.555 7.147 1.00 0.00 O ATOM 0 H ASP A 52 1.151 0.519 3.797 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.733 0.374 3.873 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.443 0.326 5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.435 1.797 6.085 1.00 0.00 H new ATOM 852 N PRO A 53 -2.490 2.826 3.827 1.00 0.00 N ATOM 853 CA PRO A 53 -2.907 4.220 3.571 1.00 0.00 C ATOM 854 C PRO A 53 -2.701 5.120 4.788 1.00 0.00 C ATOM 855 O PRO A 53 -2.611 6.341 4.665 1.00 0.00 O ATOM 856 CB PRO A 53 -4.387 4.081 3.240 1.00 0.00 C ATOM 857 CG PRO A 53 -4.861 2.787 3.879 1.00 0.00 C ATOM 858 CD PRO A 53 -3.629 1.903 4.072 1.00 0.00 C ATOM 0 HA PRO A 53 -2.323 4.689 2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.950 4.931 3.625 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.541 4.058 2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.347 2.985 4.835 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.596 2.291 3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.593 1.480 5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.623 1.066 3.374 1.00 0.00 H new ATOM 866 N LYS A 54 -2.624 4.501 5.966 1.00 0.00 N ATOM 867 CA LYS A 54 -2.424 5.256 7.197 1.00 0.00 C ATOM 868 C LYS A 54 -0.934 5.487 7.477 1.00 0.00 C ATOM 869 O LYS A 54 -0.570 5.971 8.548 1.00 0.00 O ATOM 870 CB LYS A 54 -3.041 4.509 8.383 1.00 0.00 C ATOM 871 CG LYS A 54 -4.497 4.947 8.565 1.00 0.00 C ATOM 872 CD LYS A 54 -4.581 6.013 9.661 1.00 0.00 C ATOM 873 CE LYS A 54 -3.849 7.277 9.202 1.00 0.00 C ATOM 874 NZ LYS A 54 -3.830 8.271 10.313 1.00 0.00 N ATOM 0 H LYS A 54 -2.696 3.491 6.091 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.912 6.222 7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.993 3.433 8.213 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.473 4.714 9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.888 5.343 7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.115 4.089 8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.624 6.243 9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.137 5.638 10.583 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.830 7.032 8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.345 7.701 8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.333 9.130 10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.806 8.513 10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.338 7.865 11.134 1.00 0.00 H new ATOM 888 N LEU A 55 -0.068 5.145 6.514 1.00 0.00 N ATOM 889 CA LEU A 55 1.366 5.341 6.707 1.00 0.00 C ATOM 890 C LEU A 55 1.672 6.826 6.862 1.00 0.00 C ATOM 891 O LEU A 55 0.878 7.683 6.477 1.00 0.00 O ATOM 892 CB LEU A 55 2.155 4.760 5.530 1.00 0.00 C ATOM 893 CG LEU A 55 2.739 3.395 5.919 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.461 2.778 4.717 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.725 3.562 7.083 1.00 0.00 C ATOM 0 H LEU A 55 -0.331 4.741 5.615 1.00 0.00 H new ATOM 0 HA LEU A 55 1.668 4.818 7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.505 4.654 4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.957 5.441 5.246 1.00 0.00 H new ATOM 0 HG LEU A 55 1.928 2.736 6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.874 1.809 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.755 2.647 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.268 3.438 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.136 2.589 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.535 4.227 6.782 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.206 3.989 7.941 1.00 0.00 H new ATOM 907 N LYS A 56 2.818 7.118 7.464 1.00 0.00 N ATOM 908 CA LYS A 56 3.206 8.500 7.706 1.00 0.00 C ATOM 909 C LYS A 56 3.631 9.208 6.428 1.00 0.00 C ATOM 910 O LYS A 56 3.324 10.384 6.232 1.00 0.00 O ATOM 911 CB LYS A 56 4.343 8.574 8.733 1.00 0.00 C ATOM 912 CG LYS A 56 5.578 7.835 8.206 1.00 0.00 C ATOM 913 CD LYS A 56 6.400 7.310 9.384 1.00 0.00 C ATOM 914 CE LYS A 56 7.310 8.423 9.908 1.00 0.00 C ATOM 915 NZ LYS A 56 8.335 8.752 8.879 1.00 0.00 N ATOM 0 H LYS A 56 3.489 6.423 7.791 1.00 0.00 H new ATOM 0 HA LYS A 56 2.326 9.009 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.592 9.615 8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.021 8.133 9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.274 7.008 7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.184 8.506 7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.738 6.963 10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.998 6.454 9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.720 9.308 10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.795 8.106 10.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.192 9.113 9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.570 7.896 8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.960 9.477 8.235 1.00 0.00 H new ATOM 929 N TRP A 57 4.347 8.503 5.566 1.00 0.00 N ATOM 930 CA TRP A 57 4.793 9.118 4.325 1.00 0.00 C ATOM 931 C TRP A 57 3.721 8.999 3.251 1.00 0.00 C ATOM 932 O TRP A 57 3.624 9.848 2.363 1.00 0.00 O ATOM 933 CB TRP A 57 6.113 8.511 3.837 1.00 0.00 C ATOM 934 CG TRP A 57 5.961 7.059 3.513 1.00 0.00 C ATOM 935 CD1 TRP A 57 6.012 6.039 4.405 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.752 6.449 2.211 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.873 4.844 3.720 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.705 5.049 2.368 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.606 6.978 0.918 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.524 4.198 1.280 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.415 6.126 -0.182 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.375 4.737 -0.001 1.00 0.00 C ATOM 0 H TRP A 57 4.626 7.531 5.696 1.00 0.00 H new ATOM 0 HA TRP A 57 4.969 10.175 4.527 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.457 9.048 2.953 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.878 8.636 4.604 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.140 6.142 5.472 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.893 3.925 4.162 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.641 8.047 0.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.499 3.128 1.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.298 6.543 -1.171 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.229 4.085 -0.849 1.00 0.00 H new ATOM 953 N ILE A 58 2.906 7.951 3.340 1.00 0.00 N ATOM 954 CA ILE A 58 1.851 7.772 2.363 1.00 0.00 C ATOM 955 C ILE A 58 0.666 8.680 2.692 1.00 0.00 C ATOM 956 O ILE A 58 -0.141 8.972 1.814 1.00 0.00 O ATOM 957 CB ILE A 58 1.422 6.293 2.256 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.558 5.537 1.510 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.068 6.164 1.509 1.00 0.00 C ATOM 960 CD1 ILE A 58 2.031 4.384 0.638 1.00 0.00 C ATOM 0 H ILE A 58 2.957 7.232 4.062 1.00 0.00 H new ATOM 0 HA ILE A 58 2.238 8.059 1.385 1.00 0.00 H new ATOM 0 HB ILE A 58 1.271 5.862 3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.106 6.240 0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.265 5.142 2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.214 5.113 1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.701 6.714 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.166 6.574 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.867 3.892 0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.507 3.663 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.345 4.779 -0.111 1.00 0.00 H new ATOM 972 N GLN A 59 0.553 9.135 3.945 1.00 0.00 N ATOM 973 CA GLN A 59 -0.557 10.012 4.281 1.00 0.00 C ATOM 974 C GLN A 59 -0.388 11.347 3.562 1.00 0.00 C ATOM 975 O GLN A 59 -1.366 11.995 3.194 1.00 0.00 O ATOM 976 CB GLN A 59 -0.681 10.236 5.793 1.00 0.00 C ATOM 977 CG GLN A 59 0.638 10.763 6.359 1.00 0.00 C ATOM 978 CD GLN A 59 0.355 11.790 7.451 1.00 0.00 C ATOM 979 OE1 GLN A 59 0.815 12.928 7.376 1.00 0.00 O ATOM 980 NE2 GLN A 59 -0.384 11.451 8.472 1.00 0.00 N ATOM 0 H GLN A 59 1.191 8.918 4.710 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.476 9.528 3.952 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.482 10.946 5.998 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.949 9.301 6.286 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.226 9.939 6.764 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.230 11.217 5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.766 10.507 8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.580 12.130 9.208 1.00 0.00 H new ATOM 989 N GLU A 60 0.868 11.737 3.331 1.00 0.00 N ATOM 990 CA GLU A 60 1.142 12.980 2.618 1.00 0.00 C ATOM 991 C GLU A 60 0.960 12.749 1.120 1.00 0.00 C ATOM 992 O GLU A 60 0.486 13.619 0.391 1.00 0.00 O ATOM 993 CB GLU A 60 2.573 13.453 2.885 1.00 0.00 C ATOM 994 CG GLU A 60 2.607 14.273 4.175 1.00 0.00 C ATOM 995 CD GLU A 60 4.021 14.794 4.411 1.00 0.00 C ATOM 996 OE1 GLU A 60 4.832 14.039 4.922 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.272 15.940 4.077 1.00 0.00 O ATOM 0 H GLU A 60 1.696 11.218 3.623 1.00 0.00 H new ATOM 0 HA GLU A 60 0.450 13.745 2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.241 12.596 2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.930 14.055 2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.908 15.106 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.289 13.658 5.017 1.00 0.00 H new ATOM 1004 N TYR A 61 1.336 11.548 0.682 1.00 0.00 N ATOM 1005 CA TYR A 61 1.210 11.171 -0.723 1.00 0.00 C ATOM 1006 C TYR A 61 -0.273 11.067 -1.096 1.00 0.00 C ATOM 1007 O TYR A 61 -0.736 11.688 -2.052 1.00 0.00 O ATOM 1008 CB TYR A 61 1.939 9.821 -0.954 1.00 0.00 C ATOM 1009 CG TYR A 61 1.385 9.057 -2.145 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.188 9.700 -3.372 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.064 7.704 -2.002 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.669 8.986 -4.459 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.544 6.989 -3.085 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.347 7.629 -4.316 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.165 6.924 -5.386 1.00 0.00 O ATOM 0 H TYR A 61 1.730 10.821 1.280 1.00 0.00 H new ATOM 0 HA TYR A 61 1.669 11.929 -1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.002 10.007 -1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.850 9.206 -0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.436 10.746 -3.481 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.218 7.210 -1.054 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.517 9.480 -5.407 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.294 5.944 -2.973 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.107 6.713 -5.218 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.999 10.263 -0.330 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.417 10.063 -0.581 1.00 0.00 C ATOM 1027 C LEU A 62 -3.178 11.384 -0.451 1.00 0.00 C ATOM 1028 O LEU A 62 -4.227 11.574 -1.067 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.977 9.034 0.409 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.783 7.970 -0.341 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.886 6.708 0.519 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.188 8.503 -0.635 1.00 0.00 C ATOM 0 H LEU A 62 -0.630 9.742 0.466 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.544 9.691 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.161 8.564 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.611 9.531 1.143 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.283 7.731 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.460 5.950 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.886 6.327 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.386 6.947 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.761 7.745 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.690 8.743 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.115 9.401 -1.248 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.632 12.299 0.349 1.00 0.00 N ATOM 1045 CA GLU A 63 -3.266 13.602 0.536 1.00 0.00 C ATOM 1046 C GLU A 63 -3.163 14.426 -0.746 1.00 0.00 C ATOM 1047 O GLU A 63 -4.037 15.239 -1.053 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.598 14.370 1.681 1.00 0.00 C ATOM 1049 CG GLU A 63 -3.384 15.652 1.970 1.00 0.00 C ATOM 1050 CD GLU A 63 -2.501 16.627 2.741 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -1.915 16.211 3.728 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -2.425 17.775 2.336 1.00 0.00 O ATOM 0 H GLU A 63 -1.766 12.165 0.870 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.315 13.435 0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.558 13.747 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.569 14.614 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.716 16.106 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.279 15.420 2.548 1.00 0.00 H new ATOM 1059 N LYS A 64 -2.085 14.201 -1.494 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.871 14.917 -2.748 1.00 0.00 C ATOM 1061 C LYS A 64 -2.601 14.213 -3.886 1.00 0.00 C ATOM 1062 O LYS A 64 -3.045 14.845 -4.844 1.00 0.00 O ATOM 1063 CB LYS A 64 -0.378 14.985 -3.079 1.00 0.00 C ATOM 1064 CG LYS A 64 -0.161 15.912 -4.278 1.00 0.00 C ATOM 1065 CD LYS A 64 0.987 15.377 -5.137 1.00 0.00 C ATOM 1066 CE LYS A 64 0.748 15.752 -6.601 1.00 0.00 C ATOM 1067 NZ LYS A 64 1.037 17.201 -6.796 1.00 0.00 N ATOM 0 H LYS A 64 -1.351 13.534 -1.255 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.261 15.928 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.180 15.351 -2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.001 13.988 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.073 15.976 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.068 16.921 -3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.935 15.792 -4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.057 14.294 -5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.386 15.152 -7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.283 15.535 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.875 17.457 -7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.410 17.765 -6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.028 17.394 -6.546 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.727 12.891 -3.766 1.00 0.00 N ATOM 1082 CA ALA A 65 -3.412 12.105 -4.785 1.00 0.00 C ATOM 1083 C ALA A 65 -4.860 11.836 -4.371 1.00 0.00 C ATOM 1084 O ALA A 65 -5.452 10.828 -4.759 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.695 10.768 -4.998 1.00 0.00 C ATOM 0 H ALA A 65 -2.367 12.349 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.402 12.675 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.218 10.192 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.670 10.952 -5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.686 10.207 -4.063 1.00 0.00 H new ATOM 1091 N LEU A 66 -5.425 12.751 -3.580 1.00 0.00 N ATOM 1092 CA LEU A 66 -6.807 12.610 -3.119 1.00 0.00 C ATOM 1093 C LEU A 66 -6.957 11.374 -2.238 1.00 0.00 C ATOM 1094 O LEU A 66 -6.274 10.367 -2.431 1.00 0.00 O ATOM 1095 CB LEU A 66 -7.769 12.500 -4.309 1.00 0.00 C ATOM 1096 CG LEU A 66 -8.326 13.885 -4.648 1.00 0.00 C ATOM 1097 CD1 LEU A 66 -8.718 13.930 -6.127 1.00 0.00 C ATOM 1098 CD2 LEU A 66 -9.560 14.162 -3.787 1.00 0.00 C ATOM 0 H LEU A 66 -4.951 13.591 -3.248 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.055 13.499 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.250 12.084 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.584 11.818 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.566 14.640 -4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.115 14.916 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.840 13.731 -6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.478 13.175 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.958 15.148 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.320 13.406 -3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.283 14.130 -2.733 1.00 0.00 H new ATOM 1110 N ASN A 67 -7.862 11.464 -1.267 1.00 0.00 N ATOM 1111 CA ASN A 67 -8.103 10.351 -0.352 1.00 0.00 C ATOM 1112 C ASN A 67 -9.555 9.893 -0.445 1.00 0.00 C ATOM 1113 O ASN A 67 -9.785 8.697 -0.373 1.00 0.00 O ATOM 1114 CB ASN A 67 -7.803 10.769 1.089 1.00 0.00 C ATOM 1115 CG ASN A 67 -7.524 9.528 1.932 1.00 0.00 C ATOM 1116 OD1 ASN A 67 -6.371 9.125 2.091 1.00 0.00 O ATOM 1117 ND2 ASN A 67 -8.519 8.895 2.489 1.00 0.00 N ATOM 1118 OXT ASN A 67 -10.417 10.745 -0.585 1.00 0.00 O ATOM 0 H ASN A 67 -8.437 12.289 -1.094 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.444 9.531 -0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.943 11.439 1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.648 11.320 1.502 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.342 8.066 3.056 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.474 9.229 2.357 1.00 0.00 H new TER 1125 ASN A 67