USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1081 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 128 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 132 SER OG : rot 148:sc= 0.541 USER MOD Set 2.1: A 12 GLN : amide:sc= 0.00435 K(o=-2.5,f=-4.8) USER MOD Set 2.2: A 16 LYS NZ :NH3+ 159:sc= -2.48! (180deg=-3.3) USER MOD Single : A 1 GLU N :NH3+ 156:sc= -0.973 (180deg=-1.33) USER MOD Single : A 5 HIS : no HD1:sc= -1.62! C(o=-1.6!,f=-0.83!) USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -0.177 (180deg=-0.946) USER MOD Single : A 10 THR OG1 : rot 98:sc= 0.566 USER MOD Single : A 17 THR OG1 : rot 86:sc= 1.04 USER MOD Single : A 19 ASN : amide:sc= -0.81 K(o=-0.81,f=-5.2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -83:sc= 0.564 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -149:sc= 0.308 USER MOD Single : A 29 THR OG1 : rot -89:sc= 0.0174 USER MOD Single : A 32 THR OG1 : rot 49:sc= 0.0982 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 52:sc= 0.0926 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 81:sc= 0.759 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00494 USER MOD Single : A 58 GLN : amide:sc= -2.44! C(o=-2.4!,f=-3.4!) USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 SER OG : rot 75:sc= 1 USER MOD Single : A 62 HIS : no HD1:sc= -2.73! C(o=-2.7!,f=-5.4!) USER MOD Single : A 63 HIS : no HD1:sc= -2.71 X(o=-2.7,f=-2.4) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 61:sc= 0.794 USER MOD Single : A 73 THR OG1 : rot -160:sc= -0.725 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.185 K(o=-0.18,f=-2.3!) USER MOD Single : A 78 HIS : no HD1:sc= -0.0617 X(o=-0.062,f=-0.0052) USER MOD Single : A 80 HIS : no HE2:sc= -3.41! C(o=-3.4!,f=-5.6!) USER MOD Single : A 81 LYS NZ :NH3+ -121:sc= -1.6 (180deg=-3.91!) USER MOD Single : A 82 GLN : amide:sc= -0.965 K(o=-0.97,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -126:sc= -1.61 (180deg=-4.04!) USER MOD Single : A 93 ASN : amide:sc= -2.09! C(o=-2.1!,f=-4!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.874 K(o=-0.87,f=0) USER MOD Single : A 111 SER OG : rot -166:sc= -1.25 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.00218 USER MOD Single : A 115 ASN : amide:sc=-0.00157 K(o=-0.0016,f=-1.8!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.00767 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -160:sc= -1.77 (180deg=-3.44!) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -168:sc= -1.26 (180deg=-1.42) USER MOD Single : A 133 SER OG : rot 79:sc= 0.0515 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -24.977 17.724 4.710 1.00 5.15 N ATOM 2 CA GLU A 1 -25.023 18.533 5.961 1.00 6.06 C ATOM 3 C GLU A 1 -25.595 17.681 7.097 1.00 5.70 C ATOM 4 O GLU A 1 -25.183 17.792 8.234 1.00 6.26 O ATOM 5 CB GLU A 1 -25.914 19.758 5.744 1.00 6.10 C ATOM 6 CG GLU A 1 -27.137 19.361 4.915 1.00 4.72 C ATOM 7 CD GLU A 1 -28.340 20.202 5.345 1.00 4.75 C ATOM 8 OE1 GLU A 1 -28.727 20.103 6.497 1.00 4.74 O ATOM 9 OE2 GLU A 1 -28.854 20.931 4.513 1.00 5.19 O ATOM 0 H1 GLU A 1 -24.989 18.358 3.886 1.00 5.15 H new ATOM 0 H2 GLU A 1 -24.107 17.155 4.696 1.00 5.15 H new ATOM 0 H3 GLU A 1 -25.803 17.094 4.674 1.00 5.15 H new ATOM 0 HA GLU A 1 -24.016 18.858 6.221 1.00 6.06 H new ATOM 0 HB2 GLU A 1 -26.230 20.166 6.704 1.00 6.10 H new ATOM 0 HB3 GLU A 1 -25.354 20.542 5.233 1.00 6.10 H new ATOM 0 HG2 GLU A 1 -26.935 19.512 3.854 1.00 4.72 H new ATOM 0 HG3 GLU A 1 -27.353 18.301 5.051 1.00 4.72 H new ATOM 18 N ALA A 2 -26.539 16.833 6.798 1.00 4.96 N ATOM 19 CA ALA A 2 -27.136 15.976 7.861 1.00 5.07 C ATOM 20 C ALA A 2 -27.839 14.779 7.217 1.00 4.03 C ATOM 21 O ALA A 2 -28.263 13.861 7.889 1.00 4.53 O ATOM 22 CB ALA A 2 -28.150 16.792 8.664 1.00 6.22 C ATOM 0 H ALA A 2 -26.923 16.696 5.863 1.00 4.96 H new ATOM 0 HA ALA A 2 -26.349 15.620 8.525 1.00 5.07 H new ATOM 0 HB1 ALA A 2 -28.587 16.166 9.442 1.00 6.22 H new ATOM 0 HB2 ALA A 2 -27.649 17.644 9.123 1.00 6.22 H new ATOM 0 HB3 ALA A 2 -28.938 17.149 8.000 1.00 6.22 H new ATOM 28 N GLU A 3 -27.967 14.783 5.918 1.00 3.12 N ATOM 29 CA GLU A 3 -28.643 13.646 5.233 1.00 2.44 C ATOM 30 C GLU A 3 -27.818 12.371 5.426 1.00 2.07 C ATOM 31 O GLU A 3 -27.977 11.659 6.397 1.00 2.45 O ATOM 32 CB GLU A 3 -28.766 13.952 3.739 1.00 2.35 C ATOM 33 CG GLU A 3 -30.109 14.633 3.467 1.00 3.77 C ATOM 34 CD GLU A 3 -31.233 13.599 3.547 1.00 4.09 C ATOM 35 OE1 GLU A 3 -31.502 12.966 2.540 1.00 4.42 O ATOM 36 OE2 GLU A 3 -31.807 13.460 4.614 1.00 4.53 O ATOM 0 H GLU A 3 -27.633 15.524 5.302 1.00 3.12 H new ATOM 0 HA GLU A 3 -29.636 13.504 5.658 1.00 2.44 H new ATOM 0 HB2 GLU A 3 -27.948 14.598 3.421 1.00 2.35 H new ATOM 0 HB3 GLU A 3 -28.689 13.031 3.161 1.00 2.35 H new ATOM 0 HG2 GLU A 3 -30.279 15.427 4.194 1.00 3.77 H new ATOM 0 HG3 GLU A 3 -30.099 15.099 2.482 1.00 3.77 H new ATOM 43 N ALA A 4 -26.937 12.079 4.508 1.00 1.89 N ATOM 44 CA ALA A 4 -26.104 10.850 4.641 1.00 1.99 C ATOM 45 C ALA A 4 -24.879 10.965 3.732 1.00 2.62 C ATOM 46 O ALA A 4 -24.739 11.909 2.979 1.00 3.97 O ATOM 47 CB ALA A 4 -26.929 9.629 4.233 1.00 1.42 C ATOM 0 H ALA A 4 -26.758 12.637 3.673 1.00 1.89 H new ATOM 0 HA ALA A 4 -25.780 10.740 5.676 1.00 1.99 H new ATOM 0 HB1 ALA A 4 -26.321 8.730 4.330 1.00 1.42 H new ATOM 0 HB2 ALA A 4 -27.803 9.547 4.880 1.00 1.42 H new ATOM 0 HB3 ALA A 4 -27.253 9.738 3.198 1.00 1.42 H new ATOM 53 N HIS A 5 -23.990 10.011 3.795 1.00 2.37 N ATOM 54 CA HIS A 5 -22.775 10.065 2.935 1.00 2.85 C ATOM 55 C HIS A 5 -22.368 8.645 2.538 1.00 1.61 C ATOM 56 O HIS A 5 -21.260 8.213 2.788 1.00 2.05 O ATOM 57 CB HIS A 5 -21.633 10.725 3.709 1.00 4.25 C ATOM 58 CG HIS A 5 -21.220 9.836 4.850 1.00 5.41 C ATOM 59 ND1 HIS A 5 -19.892 9.542 5.115 1.00 6.21 N ATOM 60 CD2 HIS A 5 -21.948 9.171 5.804 1.00 6.44 C ATOM 61 CE1 HIS A 5 -19.863 8.731 6.188 1.00 7.73 C ATOM 62 NE2 HIS A 5 -21.089 8.473 6.648 1.00 7.97 N ATOM 0 H HIS A 5 -24.053 9.196 4.406 1.00 2.37 H new ATOM 0 HA HIS A 5 -22.990 10.645 2.038 1.00 2.85 H new ATOM 0 HB2 HIS A 5 -20.785 10.902 3.047 1.00 4.25 H new ATOM 0 HB3 HIS A 5 -21.950 11.697 4.088 1.00 4.25 H new ATOM 0 HD2 HIS A 5 -23.025 9.187 5.887 1.00 6.44 H new ATOM 0 HE1 HIS A 5 -18.957 8.336 6.624 1.00 7.73 H new ATOM 0 HE2 HIS A 5 -21.342 7.890 7.446 1.00 7.97 H new ATOM 70 N LYS A 6 -23.255 7.914 1.920 1.00 1.02 N ATOM 71 CA LYS A 6 -22.919 6.522 1.507 1.00 1.40 C ATOM 72 C LYS A 6 -21.557 6.513 0.810 1.00 1.42 C ATOM 73 O LYS A 6 -20.902 5.493 0.722 1.00 1.83 O ATOM 74 CB LYS A 6 -23.989 6.003 0.544 1.00 2.90 C ATOM 75 CG LYS A 6 -25.355 6.041 1.230 1.00 3.34 C ATOM 76 CD LYS A 6 -26.448 5.718 0.209 1.00 5.10 C ATOM 77 CE LYS A 6 -27.822 5.871 0.865 1.00 5.76 C ATOM 78 NZ LYS A 6 -27.785 5.287 2.237 1.00 4.90 N ATOM 0 H LYS A 6 -24.198 8.221 1.683 1.00 1.02 H new ATOM 0 HA LYS A 6 -22.881 5.880 2.387 1.00 1.40 H new ATOM 0 HB2 LYS A 6 -24.007 6.613 -0.359 1.00 2.90 H new ATOM 0 HB3 LYS A 6 -23.753 4.984 0.236 1.00 2.90 H new ATOM 0 HG2 LYS A 6 -25.383 5.322 2.048 1.00 3.34 H new ATOM 0 HG3 LYS A 6 -25.528 7.025 1.665 1.00 3.34 H new ATOM 0 HD2 LYS A 6 -26.367 6.385 -0.649 1.00 5.10 H new ATOM 0 HD3 LYS A 6 -26.323 4.702 -0.164 1.00 5.10 H new ATOM 0 HE2 LYS A 6 -28.098 6.924 0.914 1.00 5.76 H new ATOM 0 HE3 LYS A 6 -28.581 5.370 0.265 1.00 5.76 H new ATOM 0 HZ1 LYS A 6 -28.754 5.079 2.552 1.00 4.90 H new ATOM 0 HZ2 LYS A 6 -27.228 4.409 2.226 1.00 4.90 H new ATOM 0 HZ3 LYS A 6 -27.347 5.966 2.892 1.00 4.90 H new ATOM 92 N CYS A 7 -21.125 7.639 0.314 1.00 1.21 N ATOM 93 CA CYS A 7 -19.806 7.692 -0.376 1.00 1.36 C ATOM 94 C CYS A 7 -18.697 7.893 0.659 1.00 1.22 C ATOM 95 O CYS A 7 -18.703 8.847 1.413 1.00 1.17 O ATOM 96 CB CYS A 7 -19.796 8.858 -1.368 1.00 1.45 C ATOM 97 SG CYS A 7 -21.338 8.857 -2.316 1.00 1.65 S ATOM 0 H CYS A 7 -21.629 8.525 0.357 1.00 1.21 H new ATOM 0 HA CYS A 7 -19.638 6.758 -0.912 1.00 1.36 H new ATOM 0 HB2 CYS A 7 -19.685 9.802 -0.835 1.00 1.45 H new ATOM 0 HB3 CYS A 7 -18.943 8.770 -2.041 1.00 1.45 H new ATOM 102 N ASP A 8 -17.744 7.004 0.700 1.00 1.16 N ATOM 103 CA ASP A 8 -16.635 7.144 1.686 1.00 1.03 C ATOM 104 C ASP A 8 -15.554 8.061 1.111 1.00 0.92 C ATOM 105 O ASP A 8 -14.969 7.777 0.085 1.00 0.81 O ATOM 106 CB ASP A 8 -16.035 5.768 1.979 1.00 0.96 C ATOM 107 CG ASP A 8 -15.959 5.554 3.492 1.00 1.00 C ATOM 108 OD1 ASP A 8 -15.144 6.207 4.122 1.00 1.25 O ATOM 109 OD2 ASP A 8 -16.719 4.742 3.995 1.00 1.97 O ATOM 0 H ASP A 8 -17.685 6.186 0.093 1.00 1.16 H new ATOM 0 HA ASP A 8 -17.023 7.574 2.609 1.00 1.03 H new ATOM 0 HB2 ASP A 8 -16.645 4.989 1.521 1.00 0.96 H new ATOM 0 HB3 ASP A 8 -15.040 5.693 1.540 1.00 0.96 H new ATOM 114 N ILE A 9 -15.283 9.157 1.764 1.00 1.01 N ATOM 115 CA ILE A 9 -14.239 10.090 1.254 1.00 0.92 C ATOM 116 C ILE A 9 -12.854 9.485 1.495 1.00 0.77 C ATOM 117 O ILE A 9 -11.865 9.943 0.958 1.00 0.77 O ATOM 118 CB ILE A 9 -14.347 11.427 1.988 1.00 0.94 C ATOM 119 CG1 ILE A 9 -13.354 12.422 1.383 1.00 0.92 C ATOM 120 CG2 ILE A 9 -14.024 11.223 3.470 1.00 0.92 C ATOM 121 CD1 ILE A 9 -13.684 13.834 1.870 1.00 0.91 C ATOM 0 H ILE A 9 -15.739 9.447 2.629 1.00 1.01 H new ATOM 0 HA ILE A 9 -14.385 10.250 0.186 1.00 0.92 H new ATOM 0 HB ILE A 9 -15.360 11.816 1.887 1.00 0.94 H new ATOM 0 HG12 ILE A 9 -12.336 12.156 1.669 1.00 0.92 H new ATOM 0 HG13 ILE A 9 -13.400 12.381 0.295 1.00 0.92 H new ATOM 0 HG21 ILE A 9 -14.101 12.176 3.994 1.00 0.92 H new ATOM 0 HG22 ILE A 9 -14.730 10.514 3.902 1.00 0.92 H new ATOM 0 HG23 ILE A 9 -13.011 10.834 3.571 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -12.976 14.542 1.439 1.00 0.91 H new ATOM 0 HD12 ILE A 9 -14.695 14.098 1.561 1.00 0.91 H new ATOM 0 HD13 ILE A 9 -13.616 13.869 2.957 1.00 0.91 H new ATOM 133 N THR A 10 -12.775 8.460 2.299 1.00 0.72 N ATOM 134 CA THR A 10 -11.454 7.829 2.573 1.00 0.59 C ATOM 135 C THR A 10 -10.961 7.113 1.314 1.00 0.53 C ATOM 136 O THR A 10 -9.887 7.385 0.814 1.00 0.55 O ATOM 137 CB THR A 10 -11.599 6.816 3.713 1.00 0.68 C ATOM 138 OG1 THR A 10 -12.467 7.346 4.705 1.00 0.79 O ATOM 139 CG2 THR A 10 -10.227 6.536 4.327 1.00 0.61 C ATOM 0 H THR A 10 -13.568 8.033 2.778 1.00 0.72 H new ATOM 0 HA THR A 10 -10.736 8.597 2.859 1.00 0.59 H new ATOM 0 HB THR A 10 -12.015 5.886 3.325 1.00 0.68 H new ATOM 0 HG1 THR A 10 -13.371 6.992 4.572 1.00 0.79 H new ATOM 0 HG21 THR A 10 -10.332 5.815 5.138 1.00 0.61 H new ATOM 0 HG22 THR A 10 -9.563 6.130 3.564 1.00 0.61 H new ATOM 0 HG23 THR A 10 -9.807 7.463 4.717 1.00 0.61 H new ATOM 147 N LEU A 11 -11.735 6.198 0.798 1.00 0.45 N ATOM 148 CA LEU A 11 -11.308 5.466 -0.428 1.00 0.39 C ATOM 149 C LEU A 11 -10.972 6.475 -1.528 1.00 0.37 C ATOM 150 O LEU A 11 -10.262 6.173 -2.466 1.00 0.33 O ATOM 151 CB LEU A 11 -12.444 4.554 -0.906 1.00 0.39 C ATOM 152 CG LEU A 11 -12.850 3.585 0.213 1.00 0.40 C ATOM 153 CD1 LEU A 11 -14.258 3.055 -0.063 1.00 0.64 C ATOM 154 CD2 LEU A 11 -11.873 2.402 0.267 1.00 0.41 C ATOM 0 H LEU A 11 -12.644 5.926 1.172 1.00 0.45 H new ATOM 0 HA LEU A 11 -10.430 4.862 -0.202 1.00 0.39 H new ATOM 0 HB2 LEU A 11 -13.302 5.156 -1.205 1.00 0.39 H new ATOM 0 HB3 LEU A 11 -12.125 3.994 -1.785 1.00 0.39 H new ATOM 0 HG LEU A 11 -12.829 4.114 1.166 1.00 0.40 H new ATOM 0 HD11 LEU A 11 -14.549 2.366 0.730 1.00 0.64 H new ATOM 0 HD12 LEU A 11 -14.960 3.888 -0.097 1.00 0.64 H new ATOM 0 HD13 LEU A 11 -14.269 2.532 -1.020 1.00 0.64 H new ATOM 0 HD21 LEU A 11 -12.170 1.721 1.064 1.00 0.41 H new ATOM 0 HD22 LEU A 11 -11.888 1.874 -0.686 1.00 0.41 H new ATOM 0 HD23 LEU A 11 -10.866 2.771 0.461 1.00 0.41 H new ATOM 166 N GLN A 12 -11.477 7.675 -1.420 1.00 0.41 N ATOM 167 CA GLN A 12 -11.185 8.701 -2.459 1.00 0.40 C ATOM 168 C GLN A 12 -9.771 9.249 -2.253 1.00 0.37 C ATOM 169 O GLN A 12 -8.879 9.005 -3.041 1.00 0.28 O ATOM 170 CB GLN A 12 -12.197 9.844 -2.345 1.00 0.46 C ATOM 171 CG GLN A 12 -12.279 10.589 -3.679 1.00 0.45 C ATOM 172 CD GLN A 12 -12.623 12.058 -3.425 1.00 0.80 C ATOM 173 OE1 GLN A 12 -11.747 12.867 -3.193 1.00 1.87 O ATOM 174 NE2 GLN A 12 -13.870 12.438 -3.458 1.00 0.89 N ATOM 0 H GLN A 12 -12.078 7.987 -0.658 1.00 0.41 H new ATOM 0 HA GLN A 12 -11.258 8.248 -3.448 1.00 0.40 H new ATOM 0 HB2 GLN A 12 -13.177 9.450 -2.075 1.00 0.46 H new ATOM 0 HB3 GLN A 12 -11.899 10.529 -1.551 1.00 0.46 H new ATOM 0 HG2 GLN A 12 -11.329 10.514 -4.208 1.00 0.45 H new ATOM 0 HG3 GLN A 12 -13.036 10.132 -4.316 1.00 0.45 H new ATOM 0 HE21 GLN A 12 -14.605 11.758 -3.653 1.00 0.89 H new ATOM 0 HE22 GLN A 12 -14.110 13.415 -3.289 1.00 0.89 H new ATOM 183 N GLU A 13 -9.559 9.988 -1.199 1.00 0.43 N ATOM 184 CA GLU A 13 -8.202 10.550 -0.944 1.00 0.41 C ATOM 185 C GLU A 13 -7.165 9.427 -1.017 1.00 0.35 C ATOM 186 O GLU A 13 -6.004 9.659 -1.290 1.00 0.31 O ATOM 187 CB GLU A 13 -8.167 11.189 0.447 1.00 0.45 C ATOM 188 CG GLU A 13 -7.913 10.108 1.501 1.00 0.47 C ATOM 189 CD GLU A 13 -8.372 10.613 2.870 1.00 1.20 C ATOM 190 OE1 GLU A 13 -8.372 11.817 3.067 1.00 2.31 O ATOM 191 OE2 GLU A 13 -8.717 9.787 3.698 1.00 1.49 O ATOM 0 H GLU A 13 -10.266 10.227 -0.504 1.00 0.43 H new ATOM 0 HA GLU A 13 -7.973 11.306 -1.696 1.00 0.41 H new ATOM 0 HB2 GLU A 13 -7.384 11.946 0.491 1.00 0.45 H new ATOM 0 HB3 GLU A 13 -9.111 11.695 0.650 1.00 0.45 H new ATOM 0 HG2 GLU A 13 -8.450 9.196 1.239 1.00 0.47 H new ATOM 0 HG3 GLU A 13 -6.853 9.856 1.531 1.00 0.47 H new ATOM 198 N ILE A 14 -7.574 8.212 -0.775 1.00 0.35 N ATOM 199 CA ILE A 14 -6.611 7.077 -0.833 1.00 0.31 C ATOM 200 C ILE A 14 -6.168 6.857 -2.279 1.00 0.29 C ATOM 201 O ILE A 14 -4.996 6.908 -2.594 1.00 0.29 O ATOM 202 CB ILE A 14 -7.287 5.808 -0.309 1.00 0.35 C ATOM 203 CG1 ILE A 14 -7.350 5.857 1.220 1.00 0.43 C ATOM 204 CG2 ILE A 14 -6.483 4.583 -0.746 1.00 0.30 C ATOM 205 CD1 ILE A 14 -8.298 4.770 1.727 1.00 0.52 C ATOM 0 H ILE A 14 -8.533 7.956 -0.540 1.00 0.35 H new ATOM 0 HA ILE A 14 -5.741 7.307 -0.218 1.00 0.31 H new ATOM 0 HB ILE A 14 -8.297 5.742 -0.713 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -6.355 5.711 1.640 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -7.695 6.837 1.549 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -6.965 3.679 -0.373 1.00 0.30 H new ATOM 0 HG22 ILE A 14 -6.438 4.547 -1.834 1.00 0.30 H new ATOM 0 HG23 ILE A 14 -5.472 4.648 -0.343 1.00 0.30 H new ATOM 0 HD11 ILE A 14 -8.343 4.805 2.816 1.00 0.52 H new ATOM 0 HD12 ILE A 14 -9.294 4.936 1.317 1.00 0.52 H new ATOM 0 HD13 ILE A 14 -7.934 3.793 1.410 1.00 0.52 H new ATOM 217 N ILE A 15 -7.097 6.614 -3.164 1.00 0.31 N ATOM 218 CA ILE A 15 -6.728 6.391 -4.590 1.00 0.34 C ATOM 219 C ILE A 15 -5.790 7.507 -5.055 1.00 0.35 C ATOM 220 O ILE A 15 -4.739 7.257 -5.608 1.00 0.39 O ATOM 221 CB ILE A 15 -7.993 6.396 -5.450 1.00 0.43 C ATOM 222 CG1 ILE A 15 -8.736 5.071 -5.269 1.00 0.46 C ATOM 223 CG2 ILE A 15 -7.609 6.568 -6.921 1.00 0.53 C ATOM 224 CD1 ILE A 15 -10.191 5.237 -5.713 1.00 0.50 C ATOM 0 H ILE A 15 -8.095 6.560 -2.960 1.00 0.31 H new ATOM 0 HA ILE A 15 -6.225 5.429 -4.689 1.00 0.34 H new ATOM 0 HB ILE A 15 -8.638 7.220 -5.144 1.00 0.43 H new ATOM 0 HG12 ILE A 15 -8.253 4.288 -5.854 1.00 0.46 H new ATOM 0 HG13 ILE A 15 -8.696 4.759 -4.225 1.00 0.46 H new ATOM 0 HG21 ILE A 15 -8.510 6.572 -7.534 1.00 0.53 H new ATOM 0 HG22 ILE A 15 -7.078 7.511 -7.051 1.00 0.53 H new ATOM 0 HG23 ILE A 15 -6.965 5.744 -7.228 1.00 0.53 H new ATOM 0 HD11 ILE A 15 -10.721 4.293 -5.584 1.00 0.50 H new ATOM 0 HD12 ILE A 15 -10.670 6.007 -5.109 1.00 0.50 H new ATOM 0 HD13 ILE A 15 -10.220 5.529 -6.763 1.00 0.50 H new ATOM 236 N LYS A 16 -6.162 8.738 -4.834 1.00 0.37 N ATOM 237 CA LYS A 16 -5.291 9.868 -5.263 1.00 0.39 C ATOM 238 C LYS A 16 -3.877 9.656 -4.719 1.00 0.33 C ATOM 239 O LYS A 16 -2.898 9.888 -5.400 1.00 0.36 O ATOM 240 CB LYS A 16 -5.856 11.182 -4.718 1.00 0.43 C ATOM 241 CG LYS A 16 -6.504 11.971 -5.859 1.00 0.71 C ATOM 242 CD LYS A 16 -7.101 13.267 -5.308 1.00 0.83 C ATOM 243 CE LYS A 16 -8.601 13.076 -5.069 1.00 0.55 C ATOM 244 NZ LYS A 16 -8.832 11.779 -4.375 1.00 1.86 N ATOM 0 H LYS A 16 -7.031 9.010 -4.375 1.00 0.37 H new ATOM 0 HA LYS A 16 -5.259 9.910 -6.352 1.00 0.39 H new ATOM 0 HB2 LYS A 16 -6.591 10.979 -3.939 1.00 0.43 H new ATOM 0 HB3 LYS A 16 -5.061 11.770 -4.261 1.00 0.43 H new ATOM 0 HG2 LYS A 16 -5.763 12.197 -6.626 1.00 0.71 H new ATOM 0 HG3 LYS A 16 -7.282 11.373 -6.333 1.00 0.71 H new ATOM 0 HD2 LYS A 16 -6.605 13.541 -4.377 1.00 0.83 H new ATOM 0 HD3 LYS A 16 -6.935 14.084 -6.010 1.00 0.83 H new ATOM 0 HE2 LYS A 16 -8.992 13.897 -4.468 1.00 0.55 H new ATOM 0 HE3 LYS A 16 -9.136 13.093 -6.018 1.00 0.55 H new ATOM 0 HZ1 LYS A 16 -9.758 11.799 -3.902 1.00 1.86 H new ATOM 0 HZ2 LYS A 16 -8.815 11.006 -5.070 1.00 1.86 H new ATOM 0 HZ3 LYS A 16 -8.085 11.626 -3.668 1.00 1.86 H new ATOM 258 N THR A 17 -3.762 9.218 -3.495 1.00 0.27 N ATOM 259 CA THR A 17 -2.411 8.992 -2.909 1.00 0.23 C ATOM 260 C THR A 17 -1.658 7.956 -3.746 1.00 0.22 C ATOM 261 O THR A 17 -0.481 8.096 -4.014 1.00 0.32 O ATOM 262 CB THR A 17 -2.557 8.478 -1.475 1.00 0.15 C ATOM 263 OG1 THR A 17 -3.557 9.232 -0.804 1.00 0.09 O ATOM 264 CG2 THR A 17 -1.224 8.627 -0.739 1.00 0.34 C ATOM 0 H THR A 17 -4.545 9.007 -2.876 1.00 0.27 H new ATOM 0 HA THR A 17 -1.856 9.930 -2.905 1.00 0.23 H new ATOM 0 HB THR A 17 -2.844 7.427 -1.493 1.00 0.15 H new ATOM 0 HG1 THR A 17 -4.437 8.842 -0.985 1.00 0.09 H new ATOM 0 HG21 THR A 17 -1.329 8.261 0.282 1.00 0.34 H new ATOM 0 HG22 THR A 17 -0.457 8.049 -1.255 1.00 0.34 H new ATOM 0 HG23 THR A 17 -0.935 9.678 -0.719 1.00 0.34 H new ATOM 272 N LEU A 18 -2.327 6.915 -4.162 1.00 0.18 N ATOM 273 CA LEU A 18 -1.647 5.872 -4.981 1.00 0.16 C ATOM 274 C LEU A 18 -1.117 6.501 -6.271 1.00 0.19 C ATOM 275 O LEU A 18 -0.035 6.187 -6.728 1.00 0.14 O ATOM 276 CB LEU A 18 -2.646 4.765 -5.326 1.00 0.16 C ATOM 277 CG LEU A 18 -3.325 4.272 -4.048 1.00 0.34 C ATOM 278 CD1 LEU A 18 -4.315 3.157 -4.392 1.00 0.30 C ATOM 279 CD2 LEU A 18 -2.268 3.732 -3.084 1.00 0.53 C ATOM 0 H LEU A 18 -3.314 6.742 -3.970 1.00 0.18 H new ATOM 0 HA LEU A 18 -0.816 5.450 -4.416 1.00 0.16 H new ATOM 0 HB2 LEU A 18 -3.393 5.140 -6.025 1.00 0.16 H new ATOM 0 HB3 LEU A 18 -2.133 3.939 -5.820 1.00 0.16 H new ATOM 0 HG LEU A 18 -3.857 5.100 -3.579 1.00 0.34 H new ATOM 0 HD11 LEU A 18 -4.799 2.806 -3.480 1.00 0.30 H new ATOM 0 HD12 LEU A 18 -5.070 3.540 -5.079 1.00 0.30 H new ATOM 0 HD13 LEU A 18 -3.783 2.330 -4.862 1.00 0.30 H new ATOM 0 HD21 LEU A 18 -2.752 3.381 -2.173 1.00 0.53 H new ATOM 0 HD22 LEU A 18 -1.735 2.905 -3.554 1.00 0.53 H new ATOM 0 HD23 LEU A 18 -1.562 4.525 -2.837 1.00 0.53 H new ATOM 291 N ASN A 19 -1.869 7.387 -6.864 1.00 0.27 N ATOM 292 CA ASN A 19 -1.406 8.035 -8.123 1.00 0.30 C ATOM 293 C ASN A 19 -0.083 8.759 -7.868 1.00 0.33 C ATOM 294 O ASN A 19 0.861 8.631 -8.620 1.00 0.35 O ATOM 295 CB ASN A 19 -2.457 9.041 -8.597 1.00 0.42 C ATOM 296 CG ASN A 19 -3.814 8.346 -8.717 1.00 0.63 C ATOM 297 OD1 ASN A 19 -3.958 7.199 -8.340 1.00 1.12 O ATOM 298 ND2 ASN A 19 -4.823 8.994 -9.231 1.00 1.34 N ATOM 0 H ASN A 19 -2.784 7.690 -6.531 1.00 0.27 H new ATOM 0 HA ASN A 19 -1.261 7.275 -8.890 1.00 0.30 H new ATOM 0 HB2 ASN A 19 -2.523 9.872 -7.894 1.00 0.42 H new ATOM 0 HB3 ASN A 19 -2.165 9.461 -9.560 1.00 0.42 H new ATOM 0 HD21 ASN A 19 -5.732 8.538 -9.316 1.00 1.34 H new ATOM 0 HD22 ASN A 19 -4.703 9.956 -9.548 1.00 1.34 H new ATOM 305 N SER A 20 -0.008 9.522 -6.812 1.00 0.37 N ATOM 306 CA SER A 20 1.256 10.253 -6.511 1.00 0.43 C ATOM 307 C SER A 20 2.418 9.258 -6.457 1.00 0.37 C ATOM 308 O SER A 20 3.478 9.497 -6.998 1.00 0.43 O ATOM 309 CB SER A 20 1.127 10.961 -5.163 1.00 0.48 C ATOM 310 OG SER A 20 0.158 11.996 -5.268 1.00 0.57 O ATOM 0 H SER A 20 -0.766 9.671 -6.146 1.00 0.37 H new ATOM 0 HA SER A 20 1.445 10.991 -7.291 1.00 0.43 H new ATOM 0 HB2 SER A 20 0.834 10.249 -4.392 1.00 0.48 H new ATOM 0 HB3 SER A 20 2.089 11.377 -4.864 1.00 0.48 H new ATOM 0 HG SER A 20 0.071 12.452 -4.405 1.00 0.57 H new ATOM 316 N LEU A 21 2.226 8.144 -5.805 1.00 0.29 N ATOM 317 CA LEU A 21 3.319 7.136 -5.714 1.00 0.27 C ATOM 318 C LEU A 21 3.824 6.798 -7.118 1.00 0.31 C ATOM 319 O LEU A 21 5.011 6.805 -7.379 1.00 0.36 O ATOM 320 CB LEU A 21 2.782 5.865 -5.045 1.00 0.26 C ATOM 321 CG LEU A 21 3.083 5.894 -3.541 1.00 0.57 C ATOM 322 CD1 LEU A 21 2.116 4.957 -2.817 1.00 0.45 C ATOM 323 CD2 LEU A 21 4.519 5.417 -3.281 1.00 1.16 C ATOM 0 H LEU A 21 1.359 7.889 -5.332 1.00 0.29 H new ATOM 0 HA LEU A 21 4.140 7.542 -5.123 1.00 0.27 H new ATOM 0 HB2 LEU A 21 1.707 5.786 -5.207 1.00 0.26 H new ATOM 0 HB3 LEU A 21 3.239 4.985 -5.498 1.00 0.26 H new ATOM 0 HG LEU A 21 2.968 6.914 -3.176 1.00 0.57 H new ATOM 0 HD11 LEU A 21 2.325 4.974 -1.747 1.00 0.45 H new ATOM 0 HD12 LEU A 21 1.092 5.286 -2.991 1.00 0.45 H new ATOM 0 HD13 LEU A 21 2.241 3.942 -3.195 1.00 0.45 H new ATOM 0 HD21 LEU A 21 4.722 5.441 -2.210 1.00 1.16 H new ATOM 0 HD22 LEU A 21 4.636 4.398 -3.649 1.00 1.16 H new ATOM 0 HD23 LEU A 21 5.219 6.073 -3.798 1.00 1.16 H new ATOM 335 N THR A 22 2.935 6.500 -8.026 1.00 0.35 N ATOM 336 CA THR A 22 3.371 6.160 -9.410 1.00 0.47 C ATOM 337 C THR A 22 4.275 7.270 -9.948 1.00 0.56 C ATOM 338 O THR A 22 5.321 7.014 -10.511 1.00 0.75 O ATOM 339 CB THR A 22 2.144 6.018 -10.315 1.00 0.58 C ATOM 340 OG1 THR A 22 1.509 7.280 -10.451 1.00 0.76 O ATOM 341 CG2 THR A 22 1.166 5.016 -9.700 1.00 0.51 C ATOM 0 H THR A 22 1.927 6.477 -7.870 1.00 0.35 H new ATOM 0 HA THR A 22 3.920 5.219 -9.395 1.00 0.47 H new ATOM 0 HB THR A 22 2.456 5.661 -11.296 1.00 0.58 H new ATOM 0 HG1 THR A 22 0.925 7.437 -9.680 1.00 0.76 H new ATOM 0 HG21 THR A 22 0.293 4.916 -10.345 1.00 0.51 H new ATOM 0 HG22 THR A 22 1.654 4.047 -9.598 1.00 0.51 H new ATOM 0 HG23 THR A 22 0.852 5.370 -8.718 1.00 0.51 H new ATOM 349 N GLU A 23 3.882 8.504 -9.779 1.00 0.47 N ATOM 350 CA GLU A 23 4.722 9.628 -10.281 1.00 0.59 C ATOM 351 C GLU A 23 6.164 9.434 -9.812 1.00 0.55 C ATOM 352 O GLU A 23 7.104 9.772 -10.504 1.00 0.60 O ATOM 353 CB GLU A 23 4.182 10.952 -9.738 1.00 0.71 C ATOM 354 CG GLU A 23 2.707 11.097 -10.117 1.00 0.65 C ATOM 355 CD GLU A 23 2.584 11.277 -11.631 1.00 1.08 C ATOM 356 OE1 GLU A 23 2.807 12.384 -12.096 1.00 1.30 O ATOM 357 OE2 GLU A 23 2.270 10.308 -12.300 1.00 2.51 O ATOM 0 H GLU A 23 3.017 8.781 -9.316 1.00 0.47 H new ATOM 0 HA GLU A 23 4.693 9.645 -11.370 1.00 0.59 H new ATOM 0 HB2 GLU A 23 4.295 10.986 -8.654 1.00 0.71 H new ATOM 0 HB3 GLU A 23 4.756 11.785 -10.144 1.00 0.71 H new ATOM 0 HG2 GLU A 23 2.150 10.216 -9.799 1.00 0.65 H new ATOM 0 HG3 GLU A 23 2.271 11.953 -9.602 1.00 0.65 H new ATOM 364 N GLN A 24 6.346 8.890 -8.640 1.00 0.48 N ATOM 365 CA GLN A 24 7.725 8.670 -8.121 1.00 0.50 C ATOM 366 C GLN A 24 8.168 7.242 -8.442 1.00 0.42 C ATOM 367 O GLN A 24 7.392 6.309 -8.365 1.00 0.35 O ATOM 368 CB GLN A 24 7.739 8.879 -6.605 1.00 0.52 C ATOM 369 CG GLN A 24 6.990 10.168 -6.261 1.00 0.49 C ATOM 370 CD GLN A 24 7.581 10.779 -4.990 1.00 1.10 C ATOM 371 OE1 GLN A 24 7.256 10.365 -3.895 1.00 1.88 O ATOM 372 NE2 GLN A 24 8.442 11.754 -5.089 1.00 1.23 N ATOM 0 H GLN A 24 5.596 8.588 -8.018 1.00 0.48 H new ATOM 0 HA GLN A 24 8.408 9.377 -8.592 1.00 0.50 H new ATOM 0 HB2 GLN A 24 7.272 8.030 -6.106 1.00 0.52 H new ATOM 0 HB3 GLN A 24 8.766 8.935 -6.244 1.00 0.52 H new ATOM 0 HG2 GLN A 24 7.065 10.876 -7.086 1.00 0.49 H new ATOM 0 HG3 GLN A 24 5.930 9.958 -6.117 1.00 0.49 H new ATOM 0 HE21 GLN A 24 8.715 12.102 -6.008 1.00 1.23 H new ATOM 0 HE22 GLN A 24 8.842 12.168 -4.247 1.00 1.23 H new ATOM 381 N LYS A 25 9.409 7.060 -8.803 1.00 0.45 N ATOM 382 CA LYS A 25 9.897 5.691 -9.129 1.00 0.42 C ATOM 383 C LYS A 25 11.381 5.577 -8.772 1.00 0.49 C ATOM 384 O LYS A 25 12.246 5.818 -9.590 1.00 0.87 O ATOM 385 CB LYS A 25 9.711 5.426 -10.625 1.00 0.43 C ATOM 386 CG LYS A 25 8.218 5.359 -10.950 1.00 0.47 C ATOM 387 CD LYS A 25 8.029 4.839 -12.377 1.00 0.79 C ATOM 388 CE LYS A 25 6.773 5.465 -12.986 1.00 0.91 C ATOM 389 NZ LYS A 25 6.445 4.775 -14.265 1.00 1.39 N ATOM 0 H LYS A 25 10.106 7.800 -8.886 1.00 0.45 H new ATOM 0 HA LYS A 25 9.329 4.958 -8.556 1.00 0.42 H new ATOM 0 HB2 LYS A 25 10.185 6.216 -11.207 1.00 0.43 H new ATOM 0 HB3 LYS A 25 10.197 4.490 -10.902 1.00 0.43 H new ATOM 0 HG2 LYS A 25 7.710 4.704 -10.243 1.00 0.47 H new ATOM 0 HG3 LYS A 25 7.768 6.347 -10.849 1.00 0.47 H new ATOM 0 HD2 LYS A 25 8.901 5.084 -12.983 1.00 0.79 H new ATOM 0 HD3 LYS A 25 7.940 3.753 -12.371 1.00 0.79 H new ATOM 0 HE2 LYS A 25 5.938 5.381 -12.290 1.00 0.91 H new ATOM 0 HE3 LYS A 25 6.933 6.528 -13.165 1.00 0.91 H new ATOM 0 HZ1 LYS A 25 5.591 5.200 -14.680 1.00 1.39 H new ATOM 0 HZ2 LYS A 25 7.240 4.877 -14.928 1.00 1.39 H new ATOM 0 HZ3 LYS A 25 6.275 3.766 -14.081 1.00 1.39 H new ATOM 403 N THR A 26 11.681 5.211 -7.556 1.00 0.36 N ATOM 404 CA THR A 26 13.108 5.080 -7.148 1.00 0.35 C ATOM 405 C THR A 26 13.579 3.645 -7.398 1.00 0.29 C ATOM 406 O THR A 26 12.922 2.875 -8.070 1.00 0.23 O ATOM 407 CB THR A 26 13.248 5.412 -5.661 1.00 0.48 C ATOM 408 OG1 THR A 26 12.972 4.250 -4.891 1.00 0.64 O ATOM 409 CG2 THR A 26 12.261 6.520 -5.288 1.00 0.54 C ATOM 0 H THR A 26 11.000 4.997 -6.828 1.00 0.36 H new ATOM 0 HA THR A 26 13.717 5.770 -7.731 1.00 0.35 H new ATOM 0 HB THR A 26 14.264 5.751 -5.458 1.00 0.48 H new ATOM 0 HG1 THR A 26 12.581 4.512 -4.032 1.00 0.64 H new ATOM 0 HG21 THR A 26 12.362 6.756 -4.229 1.00 0.54 H new ATOM 0 HG22 THR A 26 12.473 7.411 -5.879 1.00 0.54 H new ATOM 0 HG23 THR A 26 11.244 6.184 -5.490 1.00 0.54 H new ATOM 417 N LEU A 27 14.710 3.278 -6.859 1.00 0.39 N ATOM 418 CA LEU A 27 15.216 1.892 -7.068 1.00 0.37 C ATOM 419 C LEU A 27 14.492 0.936 -6.116 1.00 0.39 C ATOM 420 O LEU A 27 14.657 -0.265 -6.183 1.00 0.40 O ATOM 421 CB LEU A 27 16.722 1.850 -6.788 1.00 0.46 C ATOM 422 CG LEU A 27 16.978 2.136 -5.307 1.00 0.51 C ATOM 423 CD1 LEU A 27 17.318 0.831 -4.586 1.00 0.61 C ATOM 424 CD2 LEU A 27 18.150 3.111 -5.174 1.00 0.39 C ATOM 0 H LEU A 27 15.304 3.876 -6.285 1.00 0.39 H new ATOM 0 HA LEU A 27 15.030 1.589 -8.098 1.00 0.37 H new ATOM 0 HB2 LEU A 27 17.124 0.873 -7.055 1.00 0.46 H new ATOM 0 HB3 LEU A 27 17.237 2.586 -7.405 1.00 0.46 H new ATOM 0 HG LEU A 27 16.085 2.575 -4.861 1.00 0.51 H new ATOM 0 HD11 LEU A 27 17.500 1.035 -3.531 1.00 0.61 H new ATOM 0 HD12 LEU A 27 16.485 0.134 -4.682 1.00 0.61 H new ATOM 0 HD13 LEU A 27 18.211 0.392 -5.030 1.00 0.61 H new ATOM 0 HD21 LEU A 27 18.334 3.316 -4.120 1.00 0.39 H new ATOM 0 HD22 LEU A 27 19.042 2.671 -5.619 1.00 0.39 H new ATOM 0 HD23 LEU A 27 17.909 4.041 -5.688 1.00 0.39 H new ATOM 436 N CYS A 28 13.688 1.461 -5.232 1.00 0.43 N ATOM 437 CA CYS A 28 12.953 0.585 -4.279 1.00 0.48 C ATOM 438 C CYS A 28 11.976 -0.302 -5.053 1.00 0.53 C ATOM 439 O CYS A 28 11.256 -1.096 -4.480 1.00 0.54 O ATOM 440 CB CYS A 28 12.178 1.451 -3.284 1.00 0.58 C ATOM 441 SG CYS A 28 12.563 0.925 -1.596 1.00 0.49 S ATOM 0 H CYS A 28 13.509 2.460 -5.129 1.00 0.43 H new ATOM 0 HA CYS A 28 13.663 -0.041 -3.739 1.00 0.48 H new ATOM 0 HB2 CYS A 28 12.441 2.500 -3.418 1.00 0.58 H new ATOM 0 HB3 CYS A 28 11.107 1.364 -3.468 1.00 0.58 H new ATOM 446 N THR A 29 11.945 -0.175 -6.351 1.00 0.61 N ATOM 447 CA THR A 29 11.015 -1.012 -7.159 1.00 0.72 C ATOM 448 C THR A 29 11.667 -2.365 -7.449 1.00 0.71 C ATOM 449 O THR A 29 10.997 -3.359 -7.644 1.00 0.76 O ATOM 450 CB THR A 29 10.706 -0.301 -8.480 1.00 0.88 C ATOM 451 OG1 THR A 29 11.918 -0.066 -9.182 1.00 0.85 O ATOM 452 CG2 THR A 29 10.013 1.031 -8.194 1.00 0.92 C ATOM 0 H THR A 29 12.523 0.472 -6.887 1.00 0.61 H new ATOM 0 HA THR A 29 10.090 -1.166 -6.604 1.00 0.72 H new ATOM 0 HB THR A 29 10.050 -0.926 -9.086 1.00 0.88 H new ATOM 0 HG1 THR A 29 12.291 0.799 -8.911 1.00 0.85 H new ATOM 0 HG21 THR A 29 9.794 1.536 -9.135 1.00 0.92 H new ATOM 0 HG22 THR A 29 9.084 0.849 -7.654 1.00 0.92 H new ATOM 0 HG23 THR A 29 10.667 1.659 -7.589 1.00 0.92 H new ATOM 460 N GLU A 30 12.971 -2.411 -7.480 1.00 0.67 N ATOM 461 CA GLU A 30 13.665 -3.699 -7.758 1.00 0.71 C ATOM 462 C GLU A 30 13.372 -4.691 -6.629 1.00 0.60 C ATOM 463 O GLU A 30 13.493 -5.888 -6.795 1.00 0.63 O ATOM 464 CB GLU A 30 15.173 -3.459 -7.846 1.00 0.81 C ATOM 465 CG GLU A 30 15.453 -2.331 -8.842 1.00 0.81 C ATOM 466 CD GLU A 30 16.960 -2.089 -8.930 1.00 2.04 C ATOM 467 OE1 GLU A 30 17.701 -2.868 -8.352 1.00 2.99 O ATOM 468 OE2 GLU A 30 17.349 -1.127 -9.572 1.00 2.47 O ATOM 0 H GLU A 30 13.585 -1.612 -7.325 1.00 0.67 H new ATOM 0 HA GLU A 30 13.307 -4.107 -8.703 1.00 0.71 H new ATOM 0 HB2 GLU A 30 15.568 -3.198 -6.864 1.00 0.81 H new ATOM 0 HB3 GLU A 30 15.679 -4.371 -8.162 1.00 0.81 H new ATOM 0 HG2 GLU A 30 15.058 -2.592 -9.824 1.00 0.81 H new ATOM 0 HG3 GLU A 30 14.946 -1.419 -8.527 1.00 0.81 H new ATOM 475 N LEU A 31 12.986 -4.201 -5.483 1.00 0.55 N ATOM 476 CA LEU A 31 12.685 -5.117 -4.345 1.00 0.46 C ATOM 477 C LEU A 31 11.537 -6.051 -4.734 1.00 0.52 C ATOM 478 O LEU A 31 11.103 -6.078 -5.868 1.00 1.29 O ATOM 479 CB LEU A 31 12.282 -4.294 -3.120 1.00 0.42 C ATOM 480 CG LEU A 31 13.311 -3.187 -2.886 1.00 0.45 C ATOM 481 CD1 LEU A 31 12.939 -2.402 -1.628 1.00 0.58 C ATOM 482 CD2 LEU A 31 14.696 -3.811 -2.708 1.00 0.59 C ATOM 0 H LEU A 31 12.866 -3.208 -5.285 1.00 0.55 H new ATOM 0 HA LEU A 31 13.570 -5.708 -4.109 1.00 0.46 H new ATOM 0 HB2 LEU A 31 11.293 -3.860 -3.270 1.00 0.42 H new ATOM 0 HB3 LEU A 31 12.218 -4.937 -2.242 1.00 0.42 H new ATOM 0 HG LEU A 31 13.323 -2.513 -3.743 1.00 0.45 H new ATOM 0 HD11 LEU A 31 13.672 -1.613 -1.461 1.00 0.58 H new ATOM 0 HD12 LEU A 31 11.951 -1.958 -1.755 1.00 0.58 H new ATOM 0 HD13 LEU A 31 12.928 -3.074 -0.770 1.00 0.58 H new ATOM 0 HD21 LEU A 31 15.431 -3.024 -2.541 1.00 0.59 H new ATOM 0 HD22 LEU A 31 14.684 -4.484 -1.851 1.00 0.59 H new ATOM 0 HD23 LEU A 31 14.961 -4.370 -3.605 1.00 0.59 H new ATOM 494 N THR A 32 11.043 -6.818 -3.800 1.00 0.55 N ATOM 495 CA THR A 32 9.924 -7.749 -4.116 1.00 0.42 C ATOM 496 C THR A 32 9.023 -7.897 -2.889 1.00 0.47 C ATOM 497 O THR A 32 9.389 -8.516 -1.910 1.00 0.69 O ATOM 498 CB THR A 32 10.491 -9.118 -4.501 1.00 0.41 C ATOM 499 OG1 THR A 32 11.583 -9.431 -3.647 1.00 0.33 O ATOM 500 CG2 THR A 32 10.970 -9.084 -5.953 1.00 0.42 C ATOM 0 H THR A 32 11.366 -6.840 -2.833 1.00 0.55 H new ATOM 0 HA THR A 32 9.343 -7.350 -4.948 1.00 0.42 H new ATOM 0 HB THR A 32 9.716 -9.877 -4.395 1.00 0.41 H new ATOM 0 HG1 THR A 32 11.323 -9.278 -2.715 1.00 0.33 H new ATOM 0 HG21 THR A 32 11.373 -10.059 -6.226 1.00 0.42 H new ATOM 0 HG22 THR A 32 10.132 -8.842 -6.607 1.00 0.42 H new ATOM 0 HG23 THR A 32 11.746 -8.327 -6.062 1.00 0.42 H new ATOM 508 N VAL A 33 7.847 -7.333 -2.933 1.00 0.37 N ATOM 509 CA VAL A 33 6.924 -7.442 -1.768 1.00 0.47 C ATOM 510 C VAL A 33 6.278 -8.829 -1.757 1.00 0.36 C ATOM 511 O VAL A 33 6.519 -9.644 -2.626 1.00 0.19 O ATOM 512 CB VAL A 33 5.836 -6.373 -1.880 1.00 0.58 C ATOM 513 CG1 VAL A 33 6.464 -5.045 -2.306 1.00 0.66 C ATOM 514 CG2 VAL A 33 4.803 -6.805 -2.924 1.00 0.56 C ATOM 0 H VAL A 33 7.486 -6.802 -3.725 1.00 0.37 H new ATOM 0 HA VAL A 33 7.484 -7.296 -0.845 1.00 0.47 H new ATOM 0 HB VAL A 33 5.349 -6.250 -0.913 1.00 0.58 H new ATOM 0 HG11 VAL A 33 5.687 -4.284 -2.385 1.00 0.66 H new ATOM 0 HG12 VAL A 33 7.200 -4.736 -1.564 1.00 0.66 H new ATOM 0 HG13 VAL A 33 6.953 -5.167 -3.273 1.00 0.66 H new ATOM 0 HG21 VAL A 33 4.027 -6.044 -3.005 1.00 0.56 H new ATOM 0 HG22 VAL A 33 5.292 -6.929 -3.890 1.00 0.56 H new ATOM 0 HG23 VAL A 33 4.353 -7.751 -2.621 1.00 0.56 H new ATOM 524 N THR A 34 5.457 -9.103 -0.780 1.00 0.50 N ATOM 525 CA THR A 34 4.797 -10.437 -0.713 1.00 0.42 C ATOM 526 C THR A 34 3.437 -10.368 -1.412 1.00 0.46 C ATOM 527 O THR A 34 2.534 -9.688 -0.967 1.00 0.70 O ATOM 528 CB THR A 34 4.598 -10.836 0.751 1.00 0.46 C ATOM 529 OG1 THR A 34 5.818 -11.345 1.270 1.00 0.60 O ATOM 530 CG2 THR A 34 3.512 -11.908 0.847 1.00 0.65 C ATOM 0 H THR A 34 5.215 -8.461 -0.026 1.00 0.50 H new ATOM 0 HA THR A 34 5.424 -11.178 -1.209 1.00 0.42 H new ATOM 0 HB THR A 34 4.293 -9.963 1.328 1.00 0.46 H new ATOM 0 HG1 THR A 34 5.693 -11.600 2.208 1.00 0.60 H new ATOM 0 HG21 THR A 34 3.371 -12.191 1.890 1.00 0.65 H new ATOM 0 HG22 THR A 34 2.577 -11.515 0.448 1.00 0.65 H new ATOM 0 HG23 THR A 34 3.813 -12.783 0.271 1.00 0.65 H new ATOM 538 N ASP A 35 3.283 -11.068 -2.503 1.00 0.39 N ATOM 539 CA ASP A 35 1.982 -11.042 -3.226 1.00 0.47 C ATOM 540 C ASP A 35 0.880 -11.591 -2.316 1.00 0.55 C ATOM 541 O ASP A 35 0.929 -12.724 -1.883 1.00 1.07 O ATOM 542 CB ASP A 35 2.081 -11.907 -4.485 1.00 0.45 C ATOM 543 CG ASP A 35 0.931 -11.562 -5.434 1.00 0.56 C ATOM 544 OD1 ASP A 35 -0.164 -11.330 -4.946 1.00 0.73 O ATOM 545 OD2 ASP A 35 1.164 -11.537 -6.631 1.00 1.69 O ATOM 0 H ASP A 35 4.002 -11.656 -2.924 1.00 0.39 H new ATOM 0 HA ASP A 35 1.743 -10.016 -3.507 1.00 0.47 H new ATOM 0 HB2 ASP A 35 3.038 -11.739 -4.980 1.00 0.45 H new ATOM 0 HB3 ASP A 35 2.041 -12.963 -4.218 1.00 0.45 H new ATOM 550 N ILE A 36 -0.110 -10.795 -2.023 1.00 0.13 N ATOM 551 CA ILE A 36 -1.213 -11.271 -1.140 1.00 0.14 C ATOM 552 C ILE A 36 -2.341 -11.848 -1.998 1.00 0.18 C ATOM 553 O ILE A 36 -3.158 -12.617 -1.531 1.00 0.15 O ATOM 554 CB ILE A 36 -1.747 -10.100 -0.314 1.00 0.18 C ATOM 555 CG1 ILE A 36 -2.064 -8.924 -1.242 1.00 0.21 C ATOM 556 CG2 ILE A 36 -0.692 -9.671 0.707 1.00 0.25 C ATOM 557 CD1 ILE A 36 -2.782 -7.828 -0.453 1.00 0.33 C ATOM 0 H ILE A 36 -0.204 -9.836 -2.356 1.00 0.13 H new ATOM 0 HA ILE A 36 -0.835 -12.044 -0.471 1.00 0.14 H new ATOM 0 HB ILE A 36 -2.653 -10.408 0.207 1.00 0.18 H new ATOM 0 HG12 ILE A 36 -1.144 -8.531 -1.675 1.00 0.21 H new ATOM 0 HG13 ILE A 36 -2.689 -9.259 -2.070 1.00 0.21 H new ATOM 0 HG21 ILE A 36 -1.073 -8.836 1.295 1.00 0.25 H new ATOM 0 HG22 ILE A 36 -0.464 -10.507 1.368 1.00 0.25 H new ATOM 0 HG23 ILE A 36 0.215 -9.363 0.186 1.00 0.25 H new ATOM 0 HD11 ILE A 36 -3.007 -6.991 -1.115 1.00 0.33 H new ATOM 0 HD12 ILE A 36 -3.710 -8.225 -0.041 1.00 0.33 H new ATOM 0 HD13 ILE A 36 -2.141 -7.486 0.360 1.00 0.33 H new ATOM 569 N PHE A 37 -2.393 -11.484 -3.250 1.00 0.32 N ATOM 570 CA PHE A 37 -3.468 -12.011 -4.136 1.00 0.41 C ATOM 571 C PHE A 37 -2.990 -13.301 -4.805 1.00 0.50 C ATOM 572 O PHE A 37 -3.716 -13.933 -5.547 1.00 0.64 O ATOM 573 CB PHE A 37 -3.801 -10.972 -5.209 1.00 0.33 C ATOM 574 CG PHE A 37 -3.864 -9.601 -4.579 1.00 0.31 C ATOM 575 CD1 PHE A 37 -4.978 -9.232 -3.816 1.00 0.30 C ATOM 576 CD2 PHE A 37 -2.808 -8.700 -4.759 1.00 0.32 C ATOM 577 CE1 PHE A 37 -5.036 -7.961 -3.232 1.00 0.31 C ATOM 578 CE2 PHE A 37 -2.867 -7.429 -4.176 1.00 0.31 C ATOM 579 CZ PHE A 37 -3.980 -7.059 -3.412 1.00 0.31 C ATOM 0 H PHE A 37 -1.737 -10.844 -3.697 1.00 0.32 H new ATOM 0 HA PHE A 37 -4.359 -12.218 -3.543 1.00 0.41 H new ATOM 0 HB2 PHE A 37 -3.045 -10.989 -5.994 1.00 0.33 H new ATOM 0 HB3 PHE A 37 -4.754 -11.212 -5.680 1.00 0.33 H new ATOM 0 HD1 PHE A 37 -5.793 -9.928 -3.678 1.00 0.30 H new ATOM 0 HD2 PHE A 37 -1.948 -8.985 -5.347 1.00 0.32 H new ATOM 0 HE1 PHE A 37 -5.895 -7.676 -2.643 1.00 0.31 H new ATOM 0 HE2 PHE A 37 -2.053 -6.733 -4.316 1.00 0.31 H new ATOM 0 HZ PHE A 37 -4.024 -6.078 -2.962 1.00 0.31 H new ATOM 589 N ALA A 38 -1.773 -13.698 -4.551 1.00 0.44 N ATOM 590 CA ALA A 38 -1.251 -14.946 -5.174 1.00 0.56 C ATOM 591 C ALA A 38 -1.800 -16.160 -4.422 1.00 0.62 C ATOM 592 O ALA A 38 -1.541 -17.292 -4.778 1.00 0.72 O ATOM 593 CB ALA A 38 0.278 -14.951 -5.103 1.00 0.50 C ATOM 0 H ALA A 38 -1.118 -13.212 -3.939 1.00 0.44 H new ATOM 0 HA ALA A 38 -1.567 -14.991 -6.216 1.00 0.56 H new ATOM 0 HB1 ALA A 38 0.660 -15.864 -5.559 1.00 0.50 H new ATOM 0 HB2 ALA A 38 0.670 -14.086 -5.639 1.00 0.50 H new ATOM 0 HB3 ALA A 38 0.594 -14.906 -4.061 1.00 0.50 H new ATOM 599 N ALA A 39 -2.559 -15.933 -3.385 1.00 0.62 N ATOM 600 CA ALA A 39 -3.124 -17.075 -2.612 1.00 0.71 C ATOM 601 C ALA A 39 -4.487 -16.678 -2.039 1.00 0.78 C ATOM 602 O ALA A 39 -4.844 -17.058 -0.941 1.00 0.88 O ATOM 603 CB ALA A 39 -2.175 -17.436 -1.467 1.00 0.67 C ATOM 0 H ALA A 39 -2.812 -15.007 -3.040 1.00 0.62 H new ATOM 0 HA ALA A 39 -3.243 -17.936 -3.270 1.00 0.71 H new ATOM 0 HB1 ALA A 39 -2.588 -18.271 -0.902 1.00 0.67 H new ATOM 0 HB2 ALA A 39 -1.204 -17.718 -1.874 1.00 0.67 H new ATOM 0 HB3 ALA A 39 -2.056 -16.576 -0.808 1.00 0.67 H new ATOM 609 N SER A 40 -5.251 -15.918 -2.774 1.00 0.83 N ATOM 610 CA SER A 40 -6.588 -15.498 -2.271 1.00 0.89 C ATOM 611 C SER A 40 -7.541 -16.695 -2.295 1.00 0.83 C ATOM 612 O SER A 40 -7.653 -17.392 -3.283 1.00 1.37 O ATOM 613 CB SER A 40 -7.144 -14.388 -3.164 1.00 1.12 C ATOM 614 OG SER A 40 -8.549 -14.556 -3.304 1.00 1.77 O ATOM 0 H SER A 40 -5.007 -15.570 -3.701 1.00 0.83 H new ATOM 0 HA SER A 40 -6.492 -15.129 -1.250 1.00 0.89 H new ATOM 0 HB2 SER A 40 -6.924 -13.412 -2.730 1.00 1.12 H new ATOM 0 HB3 SER A 40 -6.664 -14.417 -4.142 1.00 1.12 H new ATOM 0 HG SER A 40 -8.908 -13.845 -3.875 1.00 1.77 H new ATOM 620 N LYS A 41 -8.228 -16.940 -1.212 1.00 0.49 N ATOM 621 CA LYS A 41 -9.172 -18.092 -1.174 1.00 0.33 C ATOM 622 C LYS A 41 -10.335 -17.768 -0.234 1.00 0.28 C ATOM 623 O LYS A 41 -11.353 -17.249 -0.647 1.00 0.30 O ATOM 624 CB LYS A 41 -8.438 -19.336 -0.669 1.00 0.44 C ATOM 625 CG LYS A 41 -7.324 -19.706 -1.650 1.00 0.68 C ATOM 626 CD LYS A 41 -6.798 -21.104 -1.322 1.00 0.55 C ATOM 627 CE LYS A 41 -5.389 -21.268 -1.896 1.00 1.11 C ATOM 628 NZ LYS A 41 -5.182 -22.686 -2.306 1.00 1.80 N ATOM 0 H LYS A 41 -8.176 -16.392 -0.353 1.00 0.49 H new ATOM 0 HA LYS A 41 -9.557 -18.280 -2.176 1.00 0.33 H new ATOM 0 HB2 LYS A 41 -8.019 -19.147 0.319 1.00 0.44 H new ATOM 0 HB3 LYS A 41 -9.137 -20.166 -0.566 1.00 0.44 H new ATOM 0 HG2 LYS A 41 -7.701 -19.679 -2.672 1.00 0.68 H new ATOM 0 HG3 LYS A 41 -6.515 -18.978 -1.589 1.00 0.68 H new ATOM 0 HD2 LYS A 41 -6.782 -21.254 -0.242 1.00 0.55 H new ATOM 0 HD3 LYS A 41 -7.462 -21.861 -1.739 1.00 0.55 H new ATOM 0 HE2 LYS A 41 -5.254 -20.607 -2.752 1.00 1.11 H new ATOM 0 HE3 LYS A 41 -4.646 -20.981 -1.152 1.00 1.11 H new ATOM 0 HZ1 LYS A 41 -4.225 -22.798 -2.696 1.00 1.80 H new ATOM 0 HZ2 LYS A 41 -5.294 -23.306 -1.479 1.00 1.80 H new ATOM 0 HZ3 LYS A 41 -5.883 -22.944 -3.029 1.00 1.80 H new ATOM 642 N ASP A 42 -10.192 -18.072 1.027 1.00 0.28 N ATOM 643 CA ASP A 42 -11.291 -17.782 1.992 1.00 0.27 C ATOM 644 C ASP A 42 -11.066 -16.405 2.620 1.00 0.31 C ATOM 645 O ASP A 42 -11.653 -16.069 3.630 1.00 0.39 O ATOM 646 CB ASP A 42 -11.300 -18.848 3.089 1.00 0.35 C ATOM 647 CG ASP A 42 -9.897 -18.980 3.685 1.00 1.68 C ATOM 648 OD1 ASP A 42 -9.137 -18.032 3.577 1.00 2.78 O ATOM 649 OD2 ASP A 42 -9.608 -20.027 4.241 1.00 2.04 O ATOM 0 H ASP A 42 -9.363 -18.508 1.431 1.00 0.28 H new ATOM 0 HA ASP A 42 -12.247 -17.791 1.469 1.00 0.27 H new ATOM 0 HB2 ASP A 42 -12.013 -18.578 3.868 1.00 0.35 H new ATOM 0 HB3 ASP A 42 -11.624 -19.805 2.679 1.00 0.35 H new ATOM 654 N THR A 43 -10.219 -15.604 2.033 1.00 0.40 N ATOM 655 CA THR A 43 -9.959 -14.250 2.597 1.00 0.50 C ATOM 656 C THR A 43 -10.894 -13.234 1.940 1.00 0.59 C ATOM 657 O THR A 43 -10.920 -13.091 0.733 1.00 0.80 O ATOM 658 CB THR A 43 -8.505 -13.856 2.327 1.00 0.52 C ATOM 659 OG1 THR A 43 -8.155 -14.223 1.000 1.00 0.67 O ATOM 660 CG2 THR A 43 -7.586 -14.576 3.316 1.00 0.37 C ATOM 0 H THR A 43 -9.696 -15.829 1.187 1.00 0.40 H new ATOM 0 HA THR A 43 -10.138 -14.264 3.672 1.00 0.50 H new ATOM 0 HB THR A 43 -8.392 -12.779 2.449 1.00 0.52 H new ATOM 0 HG1 THR A 43 -8.822 -13.868 0.376 1.00 0.67 H new ATOM 0 HG21 THR A 43 -6.551 -14.294 3.122 1.00 0.37 H new ATOM 0 HG22 THR A 43 -7.854 -14.294 4.334 1.00 0.37 H new ATOM 0 HG23 THR A 43 -7.697 -15.654 3.197 1.00 0.37 H new ATOM 668 N THR A 44 -11.661 -12.525 2.722 1.00 0.50 N ATOM 669 CA THR A 44 -12.593 -11.519 2.140 1.00 0.59 C ATOM 670 C THR A 44 -11.843 -10.206 1.902 1.00 0.55 C ATOM 671 O THR A 44 -10.728 -10.197 1.420 1.00 1.13 O ATOM 672 CB THR A 44 -13.753 -11.276 3.109 1.00 0.66 C ATOM 673 OG1 THR A 44 -13.245 -10.754 4.330 1.00 0.50 O ATOM 674 CG2 THR A 44 -14.480 -12.594 3.378 1.00 0.83 C ATOM 0 H THR A 44 -11.682 -12.599 3.739 1.00 0.50 H new ATOM 0 HA THR A 44 -12.983 -11.891 1.193 1.00 0.59 H new ATOM 0 HB THR A 44 -14.451 -10.563 2.671 1.00 0.66 H new ATOM 0 HG1 THR A 44 -13.986 -10.596 4.952 1.00 0.50 H new ATOM 0 HG21 THR A 44 -15.306 -12.420 4.068 1.00 0.83 H new ATOM 0 HG22 THR A 44 -14.868 -12.993 2.441 1.00 0.83 H new ATOM 0 HG23 THR A 44 -13.785 -13.310 3.817 1.00 0.83 H new ATOM 682 N GLU A 45 -12.445 -9.099 2.239 1.00 0.16 N ATOM 683 CA GLU A 45 -11.765 -7.789 2.034 1.00 0.22 C ATOM 684 C GLU A 45 -11.019 -7.396 3.310 1.00 0.25 C ATOM 685 O GLU A 45 -9.873 -6.993 3.272 1.00 0.38 O ATOM 686 CB GLU A 45 -12.806 -6.716 1.702 1.00 0.33 C ATOM 687 CG GLU A 45 -14.026 -7.370 1.044 1.00 0.40 C ATOM 688 CD GLU A 45 -14.959 -7.923 2.125 1.00 1.76 C ATOM 689 OE1 GLU A 45 -14.557 -7.941 3.276 1.00 3.03 O ATOM 690 OE2 GLU A 45 -16.060 -8.320 1.780 1.00 1.94 O ATOM 0 H GLU A 45 -13.378 -9.045 2.647 1.00 0.16 H new ATOM 0 HA GLU A 45 -11.057 -7.875 1.210 1.00 0.22 H new ATOM 0 HB2 GLU A 45 -13.106 -6.193 2.610 1.00 0.33 H new ATOM 0 HB3 GLU A 45 -12.375 -5.971 1.033 1.00 0.33 H new ATOM 0 HG2 GLU A 45 -14.556 -6.641 0.431 1.00 0.40 H new ATOM 0 HG3 GLU A 45 -13.707 -8.173 0.380 1.00 0.40 H new ATOM 697 N LYS A 46 -11.659 -7.509 4.442 1.00 0.23 N ATOM 698 CA LYS A 46 -10.985 -7.141 5.720 1.00 0.24 C ATOM 699 C LYS A 46 -9.608 -7.806 5.778 1.00 0.20 C ATOM 700 O LYS A 46 -8.627 -7.192 6.153 1.00 0.47 O ATOM 701 CB LYS A 46 -11.833 -7.621 6.900 1.00 0.24 C ATOM 702 CG LYS A 46 -13.257 -7.073 6.765 1.00 0.23 C ATOM 703 CD LYS A 46 -13.222 -5.543 6.769 1.00 1.08 C ATOM 704 CE LYS A 46 -14.562 -5.004 7.271 1.00 1.13 C ATOM 705 NZ LYS A 46 -14.536 -3.514 7.253 1.00 1.99 N ATOM 0 H LYS A 46 -12.619 -7.840 4.537 1.00 0.23 H new ATOM 0 HA LYS A 46 -10.869 -6.058 5.772 1.00 0.24 H new ATOM 0 HB2 LYS A 46 -11.853 -8.710 6.927 1.00 0.24 H new ATOM 0 HB3 LYS A 46 -11.391 -7.286 7.839 1.00 0.24 H new ATOM 0 HG2 LYS A 46 -13.710 -7.434 5.842 1.00 0.23 H new ATOM 0 HG3 LYS A 46 -13.876 -7.435 7.586 1.00 0.23 H new ATOM 0 HD2 LYS A 46 -12.413 -5.189 7.408 1.00 1.08 H new ATOM 0 HD3 LYS A 46 -13.021 -5.171 5.764 1.00 1.08 H new ATOM 0 HE2 LYS A 46 -15.373 -5.372 6.642 1.00 1.13 H new ATOM 0 HE3 LYS A 46 -14.755 -5.363 8.282 1.00 1.13 H new ATOM 0 HZ1 LYS A 46 -15.447 -3.147 7.594 1.00 1.99 H new ATOM 0 HZ2 LYS A 46 -13.772 -3.173 7.870 1.00 1.99 H new ATOM 0 HZ3 LYS A 46 -14.371 -3.181 6.282 1.00 1.99 H new ATOM 719 N GLU A 47 -9.525 -9.055 5.411 1.00 0.23 N ATOM 720 CA GLU A 47 -8.211 -9.757 5.447 1.00 0.30 C ATOM 721 C GLU A 47 -7.342 -9.274 4.284 1.00 0.27 C ATOM 722 O GLU A 47 -6.138 -9.437 4.286 1.00 0.35 O ATOM 723 CB GLU A 47 -8.434 -11.265 5.324 1.00 0.39 C ATOM 724 CG GLU A 47 -9.380 -11.733 6.432 1.00 0.73 C ATOM 725 CD GLU A 47 -8.708 -12.843 7.243 1.00 0.70 C ATOM 726 OE1 GLU A 47 -7.971 -12.515 8.157 1.00 1.07 O ATOM 727 OE2 GLU A 47 -8.943 -14.000 6.936 1.00 1.46 O ATOM 0 H GLU A 47 -10.310 -9.620 5.088 1.00 0.23 H new ATOM 0 HA GLU A 47 -7.710 -9.540 6.390 1.00 0.30 H new ATOM 0 HB2 GLU A 47 -8.855 -11.503 4.347 1.00 0.39 H new ATOM 0 HB3 GLU A 47 -7.482 -11.791 5.397 1.00 0.39 H new ATOM 0 HG2 GLU A 47 -9.636 -10.897 7.083 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -10.312 -12.097 5.999 1.00 0.73 H new ATOM 734 N THR A 48 -7.943 -8.679 3.289 1.00 0.24 N ATOM 735 CA THR A 48 -7.150 -8.188 2.127 1.00 0.27 C ATOM 736 C THR A 48 -6.469 -6.868 2.496 1.00 0.24 C ATOM 737 O THR A 48 -5.312 -6.648 2.194 1.00 0.39 O ATOM 738 CB THR A 48 -8.079 -7.966 0.932 1.00 0.29 C ATOM 739 OG1 THR A 48 -8.741 -9.183 0.617 1.00 0.52 O ATOM 740 CG2 THR A 48 -7.261 -7.501 -0.274 1.00 0.63 C ATOM 0 H THR A 48 -8.948 -8.512 3.231 1.00 0.24 H new ATOM 0 HA THR A 48 -6.393 -8.927 1.866 1.00 0.27 H new ATOM 0 HB THR A 48 -8.817 -7.204 1.182 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.505 -9.305 1.219 1.00 0.52 H new ATOM 0 HG21 THR A 48 -7.924 -7.343 -1.125 1.00 0.63 H new ATOM 0 HG22 THR A 48 -6.754 -6.567 -0.031 1.00 0.63 H new ATOM 0 HG23 THR A 48 -6.521 -8.261 -0.527 1.00 0.63 H new ATOM 748 N PHE A 49 -7.178 -5.986 3.147 1.00 0.14 N ATOM 749 CA PHE A 49 -6.570 -4.682 3.533 1.00 0.17 C ATOM 750 C PHE A 49 -5.504 -4.913 4.607 1.00 0.13 C ATOM 751 O PHE A 49 -4.460 -4.292 4.601 1.00 0.09 O ATOM 752 CB PHE A 49 -7.656 -3.754 4.084 1.00 0.21 C ATOM 753 CG PHE A 49 -8.706 -3.523 3.022 1.00 0.24 C ATOM 754 CD1 PHE A 49 -8.371 -2.848 1.843 1.00 0.27 C ATOM 755 CD2 PHE A 49 -10.016 -3.984 3.217 1.00 0.25 C ATOM 756 CE1 PHE A 49 -9.343 -2.633 0.858 1.00 0.31 C ATOM 757 CE2 PHE A 49 -10.987 -3.769 2.232 1.00 0.29 C ATOM 758 CZ PHE A 49 -10.650 -3.093 1.053 1.00 0.31 C ATOM 0 H PHE A 49 -8.150 -6.112 3.428 1.00 0.14 H new ATOM 0 HA PHE A 49 -6.110 -4.223 2.657 1.00 0.17 H new ATOM 0 HB2 PHE A 49 -8.111 -4.195 4.971 1.00 0.21 H new ATOM 0 HB3 PHE A 49 -7.217 -2.804 4.390 1.00 0.21 H new ATOM 0 HD1 PHE A 49 -7.362 -2.493 1.693 1.00 0.27 H new ATOM 0 HD2 PHE A 49 -10.276 -4.505 4.127 1.00 0.25 H new ATOM 0 HE1 PHE A 49 -9.084 -2.112 -0.052 1.00 0.31 H new ATOM 0 HE2 PHE A 49 -11.996 -4.124 2.381 1.00 0.29 H new ATOM 0 HZ PHE A 49 -11.400 -2.926 0.293 1.00 0.31 H new ATOM 768 N CYS A 50 -5.758 -5.803 5.527 1.00 0.19 N ATOM 769 CA CYS A 50 -4.758 -6.071 6.597 1.00 0.15 C ATOM 770 C CYS A 50 -3.482 -6.639 5.971 1.00 0.12 C ATOM 771 O CYS A 50 -2.419 -6.061 6.075 1.00 0.10 O ATOM 772 CB CYS A 50 -5.331 -7.083 7.590 1.00 0.15 C ATOM 773 SG CYS A 50 -3.991 -8.107 8.247 1.00 0.23 S ATOM 0 H CYS A 50 -6.614 -6.355 5.583 1.00 0.19 H new ATOM 0 HA CYS A 50 -4.526 -5.142 7.118 1.00 0.15 H new ATOM 0 HB2 CYS A 50 -5.839 -6.564 8.403 1.00 0.15 H new ATOM 0 HB3 CYS A 50 -6.075 -7.710 7.098 1.00 0.15 H new ATOM 778 N ARG A 51 -3.580 -7.767 5.322 1.00 0.12 N ATOM 779 CA ARG A 51 -2.373 -8.369 4.690 1.00 0.11 C ATOM 780 C ARG A 51 -1.624 -7.296 3.898 1.00 0.12 C ATOM 781 O ARG A 51 -0.411 -7.246 3.896 1.00 0.07 O ATOM 782 CB ARG A 51 -2.799 -9.496 3.749 1.00 0.16 C ATOM 783 CG ARG A 51 -3.298 -10.688 4.569 1.00 0.10 C ATOM 784 CD ARG A 51 -3.688 -11.829 3.629 1.00 0.26 C ATOM 785 NE ARG A 51 -4.526 -11.294 2.519 1.00 2.04 N ATOM 786 CZ ARG A 51 -4.726 -12.012 1.447 1.00 2.46 C ATOM 787 NH1 ARG A 51 -4.192 -13.199 1.348 1.00 1.55 N ATOM 788 NH2 ARG A 51 -5.460 -11.543 0.475 1.00 4.02 N ATOM 0 H ARG A 51 -4.443 -8.297 5.202 1.00 0.12 H new ATOM 0 HA ARG A 51 -1.719 -8.771 5.464 1.00 0.11 H new ATOM 0 HB2 ARG A 51 -3.586 -9.147 3.080 1.00 0.16 H new ATOM 0 HB3 ARG A 51 -1.959 -9.798 3.123 1.00 0.16 H new ATOM 0 HG2 ARG A 51 -2.521 -11.020 5.257 1.00 0.10 H new ATOM 0 HG3 ARG A 51 -4.155 -10.393 5.174 1.00 0.10 H new ATOM 0 HD2 ARG A 51 -2.794 -12.305 3.227 1.00 0.26 H new ATOM 0 HD3 ARG A 51 -4.237 -12.594 4.177 1.00 0.26 H new ATOM 0 HE ARG A 51 -4.943 -10.367 2.597 1.00 2.04 H new ATOM 0 HH11 ARG A 51 -3.619 -13.565 2.108 1.00 1.55 H new ATOM 0 HH12 ARG A 51 -4.348 -13.760 0.511 1.00 1.55 H new ATOM 0 HH21 ARG A 51 -5.877 -10.616 0.553 1.00 4.02 H new ATOM 0 HH22 ARG A 51 -5.616 -12.104 -0.362 1.00 4.02 H new ATOM 802 N ALA A 52 -2.340 -6.437 3.224 1.00 0.22 N ATOM 803 CA ALA A 52 -1.668 -5.367 2.433 1.00 0.25 C ATOM 804 C ALA A 52 -0.955 -4.404 3.385 1.00 0.31 C ATOM 805 O ALA A 52 0.058 -3.821 3.049 1.00 0.56 O ATOM 806 CB ALA A 52 -2.714 -4.600 1.622 1.00 0.19 C ATOM 0 H ALA A 52 -3.359 -6.430 3.187 1.00 0.22 H new ATOM 0 HA ALA A 52 -0.941 -5.816 1.756 1.00 0.25 H new ATOM 0 HB1 ALA A 52 -2.223 -3.817 1.043 1.00 0.19 H new ATOM 0 HB2 ALA A 52 -3.224 -5.286 0.946 1.00 0.19 H new ATOM 0 HB3 ALA A 52 -3.440 -4.150 2.298 1.00 0.19 H new ATOM 812 N ALA A 53 -1.473 -4.233 4.570 1.00 0.30 N ATOM 813 CA ALA A 53 -0.824 -3.308 5.541 1.00 0.36 C ATOM 814 C ALA A 53 0.429 -3.973 6.118 1.00 0.32 C ATOM 815 O ALA A 53 1.512 -3.425 6.070 1.00 0.20 O ATOM 816 CB ALA A 53 -1.800 -2.991 6.674 1.00 0.40 C ATOM 0 H ALA A 53 -2.318 -4.694 4.908 1.00 0.30 H new ATOM 0 HA ALA A 53 -0.545 -2.385 5.033 1.00 0.36 H new ATOM 0 HB1 ALA A 53 -1.325 -2.314 7.384 1.00 0.40 H new ATOM 0 HB2 ALA A 53 -2.693 -2.519 6.264 1.00 0.40 H new ATOM 0 HB3 ALA A 53 -2.079 -3.914 7.183 1.00 0.40 H new ATOM 822 N THR A 54 0.288 -5.151 6.662 1.00 0.45 N ATOM 823 CA THR A 54 1.471 -5.850 7.241 1.00 0.45 C ATOM 824 C THR A 54 2.629 -5.800 6.242 1.00 0.36 C ATOM 825 O THR A 54 3.762 -5.552 6.601 1.00 0.28 O ATOM 826 CB THR A 54 1.109 -7.308 7.531 1.00 0.59 C ATOM 827 OG1 THR A 54 -0.085 -7.354 8.298 1.00 0.68 O ATOM 828 CG2 THR A 54 2.245 -7.972 8.312 1.00 0.61 C ATOM 0 H THR A 54 -0.594 -5.659 6.731 1.00 0.45 H new ATOM 0 HA THR A 54 1.768 -5.359 8.168 1.00 0.45 H new ATOM 0 HB THR A 54 0.958 -7.839 6.591 1.00 0.59 H new ATOM 0 HG1 THR A 54 -0.319 -8.287 8.483 1.00 0.68 H new ATOM 0 HG21 THR A 54 1.986 -9.011 8.518 1.00 0.61 H new ATOM 0 HG22 THR A 54 3.161 -7.936 7.723 1.00 0.61 H new ATOM 0 HG23 THR A 54 2.398 -7.443 9.252 1.00 0.61 H new ATOM 836 N VAL A 55 2.351 -6.032 4.987 1.00 0.39 N ATOM 837 CA VAL A 55 3.435 -5.997 3.966 1.00 0.34 C ATOM 838 C VAL A 55 4.012 -4.582 3.885 1.00 0.25 C ATOM 839 O VAL A 55 5.161 -4.349 4.203 1.00 0.23 O ATOM 840 CB VAL A 55 2.863 -6.394 2.604 1.00 0.45 C ATOM 841 CG1 VAL A 55 3.900 -6.119 1.514 1.00 0.47 C ATOM 842 CG2 VAL A 55 2.519 -7.886 2.612 1.00 0.41 C ATOM 0 H VAL A 55 1.421 -6.244 4.626 1.00 0.39 H new ATOM 0 HA VAL A 55 4.224 -6.695 4.247 1.00 0.34 H new ATOM 0 HB VAL A 55 1.963 -5.812 2.405 1.00 0.45 H new ATOM 0 HG11 VAL A 55 3.492 -6.402 0.544 1.00 0.47 H new ATOM 0 HG12 VAL A 55 4.148 -5.058 1.508 1.00 0.47 H new ATOM 0 HG13 VAL A 55 4.800 -6.701 1.713 1.00 0.47 H new ATOM 0 HG21 VAL A 55 2.111 -8.171 1.642 1.00 0.41 H new ATOM 0 HG22 VAL A 55 3.420 -8.466 2.811 1.00 0.41 H new ATOM 0 HG23 VAL A 55 1.780 -8.085 3.389 1.00 0.41 H new ATOM 852 N LEU A 56 3.224 -3.633 3.463 1.00 0.21 N ATOM 853 CA LEU A 56 3.732 -2.237 3.365 1.00 0.16 C ATOM 854 C LEU A 56 4.445 -1.869 4.669 1.00 0.12 C ATOM 855 O LEU A 56 5.345 -1.054 4.689 1.00 0.15 O ATOM 856 CB LEU A 56 2.557 -1.278 3.139 1.00 0.14 C ATOM 857 CG LEU A 56 1.801 -1.665 1.861 1.00 0.22 C ATOM 858 CD1 LEU A 56 0.390 -1.078 1.912 1.00 0.57 C ATOM 859 CD2 LEU A 56 2.527 -1.113 0.627 1.00 0.36 C ATOM 0 H LEU A 56 2.252 -3.763 3.182 1.00 0.21 H new ATOM 0 HA LEU A 56 4.428 -2.159 2.530 1.00 0.16 H new ATOM 0 HB2 LEU A 56 1.882 -1.309 3.994 1.00 0.14 H new ATOM 0 HB3 LEU A 56 2.923 -0.254 3.059 1.00 0.14 H new ATOM 0 HG LEU A 56 1.754 -2.752 1.793 1.00 0.22 H new ATOM 0 HD11 LEU A 56 -0.151 -1.351 1.006 1.00 0.57 H new ATOM 0 HD12 LEU A 56 -0.137 -1.472 2.781 1.00 0.57 H new ATOM 0 HD13 LEU A 56 0.450 0.008 1.986 1.00 0.57 H new ATOM 0 HD21 LEU A 56 1.980 -1.395 -0.273 1.00 0.36 H new ATOM 0 HD22 LEU A 56 2.582 -0.026 0.693 1.00 0.36 H new ATOM 0 HD23 LEU A 56 3.535 -1.525 0.583 1.00 0.36 H new ATOM 871 N ARG A 57 4.048 -2.466 5.759 1.00 0.11 N ATOM 872 CA ARG A 57 4.700 -2.150 7.061 1.00 0.14 C ATOM 873 C ARG A 57 6.178 -2.547 7.011 1.00 0.18 C ATOM 874 O ARG A 57 7.054 -1.706 6.968 1.00 0.25 O ATOM 875 CB ARG A 57 4.001 -2.925 8.181 1.00 0.16 C ATOM 876 CG ARG A 57 3.421 -1.941 9.198 1.00 0.85 C ATOM 877 CD ARG A 57 2.667 -2.713 10.282 1.00 1.02 C ATOM 878 NE ARG A 57 3.270 -2.418 11.612 1.00 1.03 N ATOM 879 CZ ARG A 57 2.622 -2.718 12.705 1.00 1.37 C ATOM 880 NH1 ARG A 57 1.444 -3.277 12.631 1.00 1.57 N ATOM 881 NH2 ARG A 57 3.150 -2.460 13.869 1.00 1.82 N ATOM 0 H ARG A 57 3.301 -3.159 5.804 1.00 0.11 H new ATOM 0 HA ARG A 57 4.622 -1.080 7.252 1.00 0.14 H new ATOM 0 HB2 ARG A 57 3.207 -3.546 7.767 1.00 0.16 H new ATOM 0 HB3 ARG A 57 4.708 -3.595 8.670 1.00 0.16 H new ATOM 0 HG2 ARG A 57 4.221 -1.351 9.646 1.00 0.85 H new ATOM 0 HG3 ARG A 57 2.749 -1.241 8.701 1.00 0.85 H new ATOM 0 HD2 ARG A 57 1.614 -2.432 10.278 1.00 1.02 H new ATOM 0 HD3 ARG A 57 2.712 -3.783 10.080 1.00 1.02 H new ATOM 0 HE ARG A 57 4.190 -1.981 11.669 1.00 1.03 H new ATOM 0 HH11 ARG A 57 1.031 -3.479 11.720 1.00 1.57 H new ATOM 0 HH12 ARG A 57 0.937 -3.512 13.484 1.00 1.57 H new ATOM 0 HH21 ARG A 57 4.070 -2.023 13.926 1.00 1.82 H new ATOM 0 HH22 ARG A 57 2.643 -2.695 14.722 1.00 1.82 H new ATOM 895 N GLN A 58 6.463 -3.821 7.026 1.00 0.28 N ATOM 896 CA GLN A 58 7.886 -4.265 6.988 1.00 0.32 C ATOM 897 C GLN A 58 8.549 -3.779 5.696 1.00 0.21 C ATOM 898 O GLN A 58 9.725 -3.984 5.479 1.00 0.23 O ATOM 899 CB GLN A 58 7.949 -5.794 7.056 1.00 0.47 C ATOM 900 CG GLN A 58 7.388 -6.396 5.767 1.00 0.44 C ATOM 901 CD GLN A 58 8.541 -6.839 4.865 1.00 1.37 C ATOM 902 OE1 GLN A 58 9.621 -6.283 4.919 1.00 2.78 O ATOM 903 NE2 GLN A 58 8.358 -7.825 4.029 1.00 1.12 N ATOM 0 H GLN A 58 5.774 -4.572 7.063 1.00 0.28 H new ATOM 0 HA GLN A 58 8.416 -3.842 7.842 1.00 0.32 H new ATOM 0 HB2 GLN A 58 8.980 -6.118 7.201 1.00 0.47 H new ATOM 0 HB3 GLN A 58 7.379 -6.152 7.913 1.00 0.47 H new ATOM 0 HG2 GLN A 58 6.747 -7.246 5.999 1.00 0.44 H new ATOM 0 HG3 GLN A 58 6.769 -5.662 5.250 1.00 0.44 H new ATOM 0 HE21 GLN A 58 7.453 -8.293 3.982 1.00 1.12 H new ATOM 0 HE22 GLN A 58 9.120 -8.128 3.423 1.00 1.12 H new ATOM 912 N PHE A 59 7.805 -3.138 4.834 1.00 0.15 N ATOM 913 CA PHE A 59 8.405 -2.647 3.560 1.00 0.19 C ATOM 914 C PHE A 59 9.142 -1.327 3.807 1.00 0.18 C ATOM 915 O PHE A 59 10.356 -1.274 3.795 1.00 0.21 O ATOM 916 CB PHE A 59 7.302 -2.422 2.525 1.00 0.27 C ATOM 917 CG PHE A 59 7.926 -2.100 1.188 1.00 0.39 C ATOM 918 CD1 PHE A 59 8.363 -3.134 0.351 1.00 0.48 C ATOM 919 CD2 PHE A 59 8.070 -0.767 0.787 1.00 0.43 C ATOM 920 CE1 PHE A 59 8.942 -2.834 -0.888 1.00 0.59 C ATOM 921 CE2 PHE A 59 8.649 -0.467 -0.451 1.00 0.55 C ATOM 922 CZ PHE A 59 9.085 -1.501 -1.289 1.00 0.62 C ATOM 0 H PHE A 59 6.813 -2.934 4.956 1.00 0.15 H new ATOM 0 HA PHE A 59 9.109 -3.392 3.189 1.00 0.19 H new ATOM 0 HB2 PHE A 59 6.678 -3.312 2.443 1.00 0.27 H new ATOM 0 HB3 PHE A 59 6.652 -1.606 2.841 1.00 0.27 H new ATOM 0 HD1 PHE A 59 8.253 -4.163 0.661 1.00 0.48 H new ATOM 0 HD2 PHE A 59 7.734 0.030 1.433 1.00 0.43 H new ATOM 0 HE1 PHE A 59 9.278 -3.631 -1.534 1.00 0.59 H new ATOM 0 HE2 PHE A 59 8.760 0.562 -0.760 1.00 0.55 H new ATOM 0 HZ PHE A 59 9.532 -1.270 -2.245 1.00 0.62 H new ATOM 932 N TYR A 60 8.423 -0.258 4.019 1.00 0.20 N ATOM 933 CA TYR A 60 9.093 1.055 4.252 1.00 0.31 C ATOM 934 C TYR A 60 9.684 1.096 5.663 1.00 0.31 C ATOM 935 O TYR A 60 10.360 2.036 6.033 1.00 0.41 O ATOM 936 CB TYR A 60 8.075 2.189 4.092 1.00 0.40 C ATOM 937 CG TYR A 60 7.030 2.095 5.179 1.00 0.37 C ATOM 938 CD1 TYR A 60 7.306 2.582 6.464 1.00 0.46 C ATOM 939 CD2 TYR A 60 5.786 1.519 4.902 1.00 0.30 C ATOM 940 CE1 TYR A 60 6.337 2.493 7.470 1.00 0.50 C ATOM 941 CE2 TYR A 60 4.816 1.430 5.908 1.00 0.31 C ATOM 942 CZ TYR A 60 5.091 1.916 7.192 1.00 0.43 C ATOM 943 OH TYR A 60 4.136 1.829 8.183 1.00 0.50 O ATOM 0 H TYR A 60 7.403 -0.236 4.041 1.00 0.20 H new ATOM 0 HA TYR A 60 9.894 1.179 3.523 1.00 0.31 H new ATOM 0 HB2 TYR A 60 8.580 3.154 4.143 1.00 0.40 H new ATOM 0 HB3 TYR A 60 7.601 2.129 3.112 1.00 0.40 H new ATOM 0 HD1 TYR A 60 8.267 3.026 6.678 1.00 0.46 H new ATOM 0 HD2 TYR A 60 5.573 1.143 3.912 1.00 0.30 H new ATOM 0 HE1 TYR A 60 6.550 2.869 8.460 1.00 0.50 H new ATOM 0 HE2 TYR A 60 3.855 0.986 5.693 1.00 0.31 H new ATOM 0 HH TYR A 60 4.248 2.573 8.811 1.00 0.50 H new ATOM 953 N SER A 61 9.438 0.090 6.456 1.00 0.26 N ATOM 954 CA SER A 61 9.990 0.085 7.841 1.00 0.35 C ATOM 955 C SER A 61 11.348 -0.620 7.849 1.00 0.25 C ATOM 956 O SER A 61 12.270 -0.201 8.520 1.00 0.27 O ATOM 957 CB SER A 61 9.028 -0.652 8.772 1.00 0.47 C ATOM 958 OG SER A 61 7.718 -0.126 8.605 1.00 0.52 O ATOM 0 H SER A 61 8.880 -0.727 6.206 1.00 0.26 H new ATOM 0 HA SER A 61 10.113 1.112 8.185 1.00 0.35 H new ATOM 0 HB2 SER A 61 9.035 -1.719 8.550 1.00 0.47 H new ATOM 0 HB3 SER A 61 9.348 -0.540 9.808 1.00 0.47 H new ATOM 0 HG SER A 61 7.341 -0.449 7.760 1.00 0.52 H new ATOM 964 N HIS A 62 11.480 -1.690 7.113 1.00 0.20 N ATOM 965 CA HIS A 62 12.780 -2.418 7.086 1.00 0.22 C ATOM 966 C HIS A 62 13.661 -1.858 5.967 1.00 0.22 C ATOM 967 O HIS A 62 14.847 -2.116 5.913 1.00 0.58 O ATOM 968 CB HIS A 62 12.526 -3.906 6.835 1.00 0.36 C ATOM 969 CG HIS A 62 11.633 -4.451 7.916 1.00 0.90 C ATOM 970 ND1 HIS A 62 10.932 -3.626 8.781 1.00 1.84 N ATOM 971 CD2 HIS A 62 11.317 -5.736 8.284 1.00 1.21 C ATOM 972 CE1 HIS A 62 10.236 -4.416 9.619 1.00 2.11 C ATOM 973 NE2 HIS A 62 10.434 -5.711 9.359 1.00 1.64 N ATOM 0 H HIS A 62 10.745 -2.091 6.530 1.00 0.20 H new ATOM 0 HA HIS A 62 13.285 -2.289 8.043 1.00 0.22 H new ATOM 0 HB2 HIS A 62 12.061 -4.047 5.859 1.00 0.36 H new ATOM 0 HB3 HIS A 62 13.471 -4.450 6.820 1.00 0.36 H new ATOM 0 HD2 HIS A 62 11.696 -6.630 7.811 1.00 1.21 H new ATOM 0 HE1 HIS A 62 9.595 -4.048 10.406 1.00 2.11 H new ATOM 0 HE2 HIS A 62 10.026 -6.510 9.844 1.00 1.64 H new ATOM 981 N HIS A 63 13.092 -1.096 5.073 1.00 0.28 N ATOM 982 CA HIS A 63 13.897 -0.522 3.957 1.00 0.17 C ATOM 983 C HIS A 63 14.368 0.885 4.332 1.00 0.14 C ATOM 984 O HIS A 63 15.516 1.236 4.145 1.00 0.18 O ATOM 985 CB HIS A 63 13.037 -0.450 2.695 1.00 0.14 C ATOM 986 CG HIS A 63 12.754 -1.842 2.200 1.00 0.22 C ATOM 987 ND1 HIS A 63 13.721 -2.837 2.199 1.00 0.48 N ATOM 988 CD2 HIS A 63 11.620 -2.422 1.688 1.00 0.16 C ATOM 989 CE1 HIS A 63 13.155 -3.951 1.701 1.00 0.51 C ATOM 990 NE2 HIS A 63 11.875 -3.754 1.373 1.00 0.29 N ATOM 0 H HIS A 63 12.103 -0.846 5.067 1.00 0.28 H new ATOM 0 HA HIS A 63 14.764 -1.156 3.774 1.00 0.17 H new ATOM 0 HB2 HIS A 63 12.102 0.069 2.908 1.00 0.14 H new ATOM 0 HB3 HIS A 63 13.551 0.124 1.924 1.00 0.14 H new ATOM 0 HD2 HIS A 63 10.673 -1.921 1.550 1.00 0.16 H new ATOM 0 HE1 HIS A 63 13.673 -4.891 1.581 1.00 0.51 H new ATOM 0 HE2 HIS A 63 11.225 -4.433 0.977 1.00 0.29 H new ATOM 998 N GLU A 64 13.489 1.693 4.855 1.00 0.18 N ATOM 999 CA GLU A 64 13.882 3.079 5.239 1.00 0.28 C ATOM 1000 C GLU A 64 15.200 3.045 6.017 1.00 0.35 C ATOM 1001 O GLU A 64 16.133 3.756 5.706 1.00 0.72 O ATOM 1002 CB GLU A 64 12.790 3.692 6.117 1.00 0.31 C ATOM 1003 CG GLU A 64 13.279 5.025 6.687 1.00 0.39 C ATOM 1004 CD GLU A 64 12.078 5.874 7.106 1.00 1.24 C ATOM 1005 OE1 GLU A 64 11.281 5.390 7.892 1.00 1.54 O ATOM 1006 OE2 GLU A 64 11.975 6.994 6.632 1.00 2.05 O ATOM 0 H GLU A 64 12.514 1.454 5.034 1.00 0.18 H new ATOM 0 HA GLU A 64 14.009 3.680 4.339 1.00 0.28 H new ATOM 0 HB2 GLU A 64 11.883 3.846 5.533 1.00 0.31 H new ATOM 0 HB3 GLU A 64 12.535 3.010 6.928 1.00 0.31 H new ATOM 0 HG2 GLU A 64 13.930 4.849 7.544 1.00 0.39 H new ATOM 0 HG3 GLU A 64 13.870 5.556 5.941 1.00 0.39 H new ATOM 1013 N LYS A 65 15.281 2.227 7.030 1.00 0.55 N ATOM 1014 CA LYS A 65 16.536 2.151 7.830 1.00 0.60 C ATOM 1015 C LYS A 65 17.636 1.482 7.002 1.00 0.46 C ATOM 1016 O LYS A 65 18.805 1.574 7.320 1.00 0.33 O ATOM 1017 CB LYS A 65 16.282 1.336 9.100 1.00 0.84 C ATOM 1018 CG LYS A 65 15.486 2.178 10.099 1.00 1.21 C ATOM 1019 CD LYS A 65 14.373 1.327 10.714 1.00 0.90 C ATOM 1020 CE LYS A 65 14.975 0.060 11.321 1.00 0.97 C ATOM 1021 NZ LYS A 65 14.359 -0.193 12.655 1.00 1.20 N ATOM 0 H LYS A 65 14.532 1.607 7.339 1.00 0.55 H new ATOM 0 HA LYS A 65 16.853 3.158 8.102 1.00 0.60 H new ATOM 0 HB2 LYS A 65 15.733 0.426 8.857 1.00 0.84 H new ATOM 0 HB3 LYS A 65 17.229 1.028 9.542 1.00 0.84 H new ATOM 0 HG2 LYS A 65 16.146 2.553 10.881 1.00 1.21 H new ATOM 0 HG3 LYS A 65 15.059 3.047 9.599 1.00 1.21 H new ATOM 0 HD2 LYS A 65 13.847 1.896 11.481 1.00 0.90 H new ATOM 0 HD3 LYS A 65 13.639 1.065 9.952 1.00 0.90 H new ATOM 0 HE2 LYS A 65 14.801 -0.790 10.661 1.00 0.97 H new ATOM 0 HE3 LYS A 65 16.055 0.170 11.422 1.00 0.97 H new ATOM 0 HZ1 LYS A 65 14.768 -1.055 13.069 1.00 1.20 H new ATOM 0 HZ2 LYS A 65 14.546 0.615 13.283 1.00 1.20 H new ATOM 0 HZ3 LYS A 65 13.332 -0.315 12.546 1.00 1.20 H new ATOM 1035 N ASP A 66 17.273 0.808 5.945 1.00 0.53 N ATOM 1036 CA ASP A 66 18.304 0.137 5.103 1.00 0.46 C ATOM 1037 C ASP A 66 18.817 1.117 4.047 1.00 0.31 C ATOM 1038 O ASP A 66 18.057 1.846 3.441 1.00 0.34 O ATOM 1039 CB ASP A 66 17.684 -1.079 4.411 1.00 0.56 C ATOM 1040 CG ASP A 66 18.785 -2.080 4.055 1.00 0.43 C ATOM 1041 OD1 ASP A 66 19.646 -1.729 3.265 1.00 1.38 O ATOM 1042 OD2 ASP A 66 18.749 -3.181 4.581 1.00 1.06 O ATOM 0 H ASP A 66 16.310 0.693 5.629 1.00 0.53 H new ATOM 0 HA ASP A 66 19.133 -0.186 5.732 1.00 0.46 H new ATOM 0 HB2 ASP A 66 16.949 -1.548 5.066 1.00 0.56 H new ATOM 0 HB3 ASP A 66 17.156 -0.768 3.510 1.00 0.56 H new ATOM 1047 N THR A 67 20.102 1.141 3.820 1.00 0.32 N ATOM 1048 CA THR A 67 20.663 2.074 2.803 1.00 0.23 C ATOM 1049 C THR A 67 20.409 1.510 1.404 1.00 0.40 C ATOM 1050 O THR A 67 21.299 1.454 0.577 1.00 0.56 O ATOM 1051 CB THR A 67 22.168 2.229 3.027 1.00 0.26 C ATOM 1052 OG1 THR A 67 22.838 1.066 2.557 1.00 0.56 O ATOM 1053 CG2 THR A 67 22.449 2.415 4.519 1.00 0.23 C ATOM 0 H THR A 67 20.788 0.554 4.295 1.00 0.32 H new ATOM 0 HA THR A 67 20.182 3.048 2.896 1.00 0.23 H new ATOM 0 HB THR A 67 22.528 3.101 2.482 1.00 0.26 H new ATOM 0 HG1 THR A 67 22.675 0.960 1.597 1.00 0.56 H new ATOM 0 HG21 THR A 67 23.522 2.525 4.676 1.00 0.23 H new ATOM 0 HG22 THR A 67 21.936 3.308 4.877 1.00 0.23 H new ATOM 0 HG23 THR A 67 22.089 1.545 5.068 1.00 0.23 H new ATOM 1061 N ARG A 68 19.201 1.093 1.133 1.00 0.47 N ATOM 1062 CA ARG A 68 18.886 0.529 -0.211 1.00 0.63 C ATOM 1063 C ARG A 68 18.249 1.611 -1.086 1.00 0.51 C ATOM 1064 O ARG A 68 18.815 2.031 -2.077 1.00 0.45 O ATOM 1065 CB ARG A 68 17.906 -0.637 -0.054 1.00 0.83 C ATOM 1066 CG ARG A 68 18.683 -1.952 0.020 1.00 0.76 C ATOM 1067 CD ARG A 68 19.016 -2.430 -1.395 1.00 0.90 C ATOM 1068 NE ARG A 68 20.332 -3.130 -1.387 1.00 0.51 N ATOM 1069 CZ ARG A 68 20.682 -3.872 -2.402 1.00 0.91 C ATOM 1070 NH1 ARG A 68 19.881 -3.999 -3.425 1.00 1.50 N ATOM 1071 NH2 ARG A 68 21.832 -4.487 -2.394 1.00 1.12 N ATOM 0 H ARG A 68 18.418 1.119 1.786 1.00 0.47 H new ATOM 0 HA ARG A 68 19.805 0.177 -0.681 1.00 0.63 H new ATOM 0 HB2 ARG A 68 17.309 -0.504 0.848 1.00 0.83 H new ATOM 0 HB3 ARG A 68 17.213 -0.659 -0.895 1.00 0.83 H new ATOM 0 HG2 ARG A 68 19.600 -1.813 0.593 1.00 0.76 H new ATOM 0 HG3 ARG A 68 18.093 -2.706 0.540 1.00 0.76 H new ATOM 0 HD2 ARG A 68 18.237 -3.102 -1.756 1.00 0.90 H new ATOM 0 HD3 ARG A 68 19.048 -1.582 -2.079 1.00 0.90 H new ATOM 0 HE ARG A 68 20.959 -3.029 -0.589 1.00 0.51 H new ATOM 0 HH11 ARG A 68 18.981 -3.518 -3.431 1.00 1.50 H new ATOM 0 HH12 ARG A 68 20.155 -4.579 -4.218 1.00 1.50 H new ATOM 0 HH21 ARG A 68 22.458 -4.388 -1.595 1.00 1.12 H new ATOM 0 HH22 ARG A 68 22.106 -5.067 -3.187 1.00 1.12 H new ATOM 1085 N CYS A 69 17.076 2.060 -0.733 1.00 0.50 N ATOM 1086 CA CYS A 69 16.399 3.109 -1.548 1.00 0.42 C ATOM 1087 C CYS A 69 16.691 4.493 -0.961 1.00 0.56 C ATOM 1088 O CYS A 69 16.117 5.483 -1.371 1.00 0.53 O ATOM 1089 CB CYS A 69 14.889 2.861 -1.540 1.00 0.56 C ATOM 1090 SG CYS A 69 14.574 1.080 -1.472 1.00 0.36 S ATOM 0 H CYS A 69 16.556 1.745 0.086 1.00 0.50 H new ATOM 0 HA CYS A 69 16.773 3.067 -2.571 1.00 0.42 H new ATOM 0 HB2 CYS A 69 14.432 3.355 -0.683 1.00 0.56 H new ATOM 0 HB3 CYS A 69 14.434 3.288 -2.434 1.00 0.56 H new ATOM 1095 N LEU A 70 17.579 4.574 -0.008 1.00 0.75 N ATOM 1096 CA LEU A 70 17.901 5.899 0.594 1.00 0.92 C ATOM 1097 C LEU A 70 18.619 6.766 -0.443 1.00 1.16 C ATOM 1098 O LEU A 70 18.444 7.967 -0.491 1.00 1.36 O ATOM 1099 CB LEU A 70 18.810 5.705 1.813 1.00 0.71 C ATOM 1100 CG LEU A 70 17.961 5.415 3.058 1.00 0.66 C ATOM 1101 CD1 LEU A 70 18.876 4.999 4.212 1.00 0.44 C ATOM 1102 CD2 LEU A 70 17.173 6.667 3.470 1.00 0.79 C ATOM 0 H LEU A 70 18.094 3.783 0.379 1.00 0.75 H new ATOM 0 HA LEU A 70 16.978 6.389 0.906 1.00 0.92 H new ATOM 0 HB2 LEU A 70 19.502 4.882 1.634 1.00 0.71 H new ATOM 0 HB3 LEU A 70 19.413 6.599 1.974 1.00 0.71 H new ATOM 0 HG LEU A 70 17.261 4.612 2.827 1.00 0.66 H new ATOM 0 HD11 LEU A 70 18.274 4.793 5.097 1.00 0.44 H new ATOM 0 HD12 LEU A 70 19.430 4.103 3.932 1.00 0.44 H new ATOM 0 HD13 LEU A 70 19.577 5.805 4.429 1.00 0.44 H new ATOM 0 HD21 LEU A 70 16.575 6.446 4.354 1.00 0.79 H new ATOM 0 HD22 LEU A 70 17.868 7.477 3.694 1.00 0.79 H new ATOM 0 HD23 LEU A 70 16.516 6.968 2.654 1.00 0.79 H new ATOM 1114 N GLY A 71 19.427 6.165 -1.272 1.00 1.30 N ATOM 1115 CA GLY A 71 20.157 6.954 -2.305 1.00 1.60 C ATOM 1116 C GLY A 71 21.497 7.423 -1.739 1.00 1.21 C ATOM 1117 O GLY A 71 21.995 6.887 -0.768 1.00 1.07 O ATOM 0 H GLY A 71 19.614 5.162 -1.279 1.00 1.30 H new ATOM 0 HA2 GLY A 71 20.319 6.345 -3.195 1.00 1.60 H new ATOM 0 HA3 GLY A 71 19.559 7.813 -2.611 1.00 1.60 H new ATOM 1121 N ALA A 72 22.087 8.422 -2.335 1.00 1.15 N ATOM 1122 CA ALA A 72 23.395 8.925 -1.831 1.00 0.90 C ATOM 1123 C ALA A 72 23.493 10.432 -2.079 1.00 0.48 C ATOM 1124 O ALA A 72 24.056 11.165 -1.291 1.00 0.37 O ATOM 1125 CB ALA A 72 24.534 8.213 -2.564 1.00 1.33 C ATOM 0 H ALA A 72 21.719 8.912 -3.150 1.00 1.15 H new ATOM 0 HA ALA A 72 23.471 8.727 -0.762 1.00 0.90 H new ATOM 0 HB1 ALA A 72 25.491 8.582 -2.195 1.00 1.33 H new ATOM 0 HB2 ALA A 72 24.466 7.140 -2.387 1.00 1.33 H new ATOM 0 HB3 ALA A 72 24.458 8.410 -3.633 1.00 1.33 H new ATOM 1131 N THR A 73 22.948 10.899 -3.169 1.00 0.48 N ATOM 1132 CA THR A 73 23.010 12.358 -3.466 1.00 0.31 C ATOM 1133 C THR A 73 22.117 13.116 -2.483 1.00 0.33 C ATOM 1134 O THR A 73 21.495 12.533 -1.618 1.00 0.34 O ATOM 1135 CB THR A 73 22.523 12.608 -4.896 1.00 0.62 C ATOM 1136 OG1 THR A 73 21.174 12.180 -5.017 1.00 1.41 O ATOM 1137 CG2 THR A 73 23.398 11.829 -5.879 1.00 0.41 C ATOM 0 H THR A 73 22.463 10.334 -3.866 1.00 0.48 H new ATOM 0 HA THR A 73 24.038 12.707 -3.366 1.00 0.31 H new ATOM 0 HB THR A 73 22.588 13.673 -5.121 1.00 0.62 H new ATOM 0 HG1 THR A 73 20.960 12.038 -5.963 1.00 1.41 H new ATOM 0 HG21 THR A 73 23.050 12.008 -6.896 1.00 0.41 H new ATOM 0 HG22 THR A 73 24.433 12.159 -5.786 1.00 0.41 H new ATOM 0 HG23 THR A 73 23.336 10.764 -5.656 1.00 0.41 H new ATOM 1145 N ALA A 74 22.047 14.413 -2.609 1.00 0.34 N ATOM 1146 CA ALA A 74 21.195 15.207 -1.681 1.00 0.37 C ATOM 1147 C ALA A 74 19.785 15.334 -2.264 1.00 0.44 C ATOM 1148 O ALA A 74 18.835 15.613 -1.559 1.00 0.61 O ATOM 1149 CB ALA A 74 21.798 16.601 -1.499 1.00 0.37 C ATOM 0 H ALA A 74 22.543 14.957 -3.315 1.00 0.34 H new ATOM 0 HA ALA A 74 21.145 14.704 -0.715 1.00 0.37 H new ATOM 0 HB1 ALA A 74 21.174 17.182 -0.820 1.00 0.37 H new ATOM 0 HB2 ALA A 74 22.802 16.512 -1.083 1.00 0.37 H new ATOM 0 HB3 ALA A 74 21.849 17.104 -2.465 1.00 0.37 H new ATOM 1155 N GLN A 75 19.643 15.132 -3.545 1.00 0.32 N ATOM 1156 CA GLN A 75 18.294 15.242 -4.170 1.00 0.38 C ATOM 1157 C GLN A 75 17.529 13.933 -3.966 1.00 0.38 C ATOM 1158 O GLN A 75 16.321 13.922 -3.844 1.00 0.40 O ATOM 1159 CB GLN A 75 18.447 15.515 -5.668 1.00 0.44 C ATOM 1160 CG GLN A 75 18.797 14.214 -6.393 1.00 0.49 C ATOM 1161 CD GLN A 75 19.414 14.537 -7.754 1.00 0.54 C ATOM 1162 OE1 GLN A 75 20.620 14.609 -7.886 1.00 0.41 O ATOM 1163 NE2 GLN A 75 18.633 14.736 -8.781 1.00 1.54 N ATOM 0 H GLN A 75 20.401 14.896 -4.185 1.00 0.32 H new ATOM 0 HA GLN A 75 17.744 16.060 -3.705 1.00 0.38 H new ATOM 0 HB2 GLN A 75 17.522 15.929 -6.069 1.00 0.44 H new ATOM 0 HB3 GLN A 75 19.227 16.258 -5.835 1.00 0.44 H new ATOM 0 HG2 GLN A 75 19.496 13.629 -5.795 1.00 0.49 H new ATOM 0 HG3 GLN A 75 17.902 13.606 -6.523 1.00 0.49 H new ATOM 0 HE21 GLN A 75 17.621 14.676 -8.671 1.00 1.54 H new ATOM 0 HE22 GLN A 75 19.035 14.952 -9.693 1.00 1.54 H new ATOM 1172 N GLN A 76 18.223 12.827 -3.929 1.00 0.38 N ATOM 1173 CA GLN A 76 17.534 11.522 -3.733 1.00 0.38 C ATOM 1174 C GLN A 76 17.263 11.306 -2.242 1.00 0.31 C ATOM 1175 O GLN A 76 16.307 10.660 -1.862 1.00 0.35 O ATOM 1176 CB GLN A 76 18.422 10.392 -4.258 1.00 0.38 C ATOM 1177 CG GLN A 76 17.968 9.998 -5.665 1.00 1.55 C ATOM 1178 CD GLN A 76 16.675 9.186 -5.575 1.00 1.71 C ATOM 1179 OE1 GLN A 76 16.287 8.755 -4.507 1.00 2.27 O ATOM 1180 NE2 GLN A 76 15.987 8.956 -6.660 1.00 2.43 N ATOM 0 H GLN A 76 19.237 12.772 -4.026 1.00 0.38 H new ATOM 0 HA GLN A 76 16.590 11.525 -4.277 1.00 0.38 H new ATOM 0 HB2 GLN A 76 19.464 10.713 -4.277 1.00 0.38 H new ATOM 0 HB3 GLN A 76 18.365 9.531 -3.592 1.00 0.38 H new ATOM 0 HG2 GLN A 76 17.808 10.890 -6.270 1.00 1.55 H new ATOM 0 HG3 GLN A 76 18.744 9.413 -6.159 1.00 1.55 H new ATOM 0 HE21 GLN A 76 16.312 9.318 -7.556 1.00 2.43 H new ATOM 0 HE22 GLN A 76 15.124 8.415 -6.611 1.00 2.43 H new ATOM 1189 N PHE A 77 18.097 11.844 -1.396 1.00 0.22 N ATOM 1190 CA PHE A 77 17.887 11.670 0.069 1.00 0.16 C ATOM 1191 C PHE A 77 16.528 12.252 0.460 1.00 0.21 C ATOM 1192 O PHE A 77 15.741 11.620 1.137 1.00 0.19 O ATOM 1193 CB PHE A 77 18.994 12.399 0.833 1.00 0.14 C ATOM 1194 CG PHE A 77 18.723 12.315 2.317 1.00 0.16 C ATOM 1195 CD1 PHE A 77 18.959 11.118 3.004 1.00 0.23 C ATOM 1196 CD2 PHE A 77 18.236 13.432 3.004 1.00 0.25 C ATOM 1197 CE1 PHE A 77 18.706 11.039 4.379 1.00 0.28 C ATOM 1198 CE2 PHE A 77 17.984 13.355 4.379 1.00 0.27 C ATOM 1199 CZ PHE A 77 18.219 12.158 5.067 1.00 0.25 C ATOM 0 H PHE A 77 18.914 12.396 -1.655 1.00 0.22 H new ATOM 0 HA PHE A 77 17.913 10.609 0.317 1.00 0.16 H new ATOM 0 HB2 PHE A 77 19.962 11.954 0.604 1.00 0.14 H new ATOM 0 HB3 PHE A 77 19.040 13.442 0.520 1.00 0.14 H new ATOM 0 HD1 PHE A 77 19.336 10.256 2.474 1.00 0.23 H new ATOM 0 HD2 PHE A 77 18.054 14.355 2.473 1.00 0.25 H new ATOM 0 HE1 PHE A 77 18.886 10.115 4.909 1.00 0.28 H new ATOM 0 HE2 PHE A 77 17.609 14.218 4.909 1.00 0.27 H new ATOM 0 HZ PHE A 77 18.025 12.098 6.128 1.00 0.25 H new ATOM 1209 N HIS A 78 16.243 13.455 0.039 1.00 0.28 N ATOM 1210 CA HIS A 78 14.934 14.075 0.387 1.00 0.34 C ATOM 1211 C HIS A 78 13.822 13.403 -0.420 1.00 0.36 C ATOM 1212 O HIS A 78 12.804 13.009 0.114 1.00 0.38 O ATOM 1213 CB HIS A 78 14.972 15.569 0.056 1.00 0.44 C ATOM 1214 CG HIS A 78 13.941 16.292 0.877 1.00 0.66 C ATOM 1215 ND1 HIS A 78 13.953 17.669 1.034 1.00 0.94 N ATOM 1216 CD2 HIS A 78 12.859 15.842 1.593 1.00 0.67 C ATOM 1217 CE1 HIS A 78 12.909 17.997 1.817 1.00 1.09 C ATOM 1218 NE2 HIS A 78 12.208 16.920 2.186 1.00 0.94 N ATOM 0 H HIS A 78 16.860 14.034 -0.530 1.00 0.28 H new ATOM 0 HA HIS A 78 14.742 13.944 1.452 1.00 0.34 H new ATOM 0 HB2 HIS A 78 15.964 15.972 0.261 1.00 0.44 H new ATOM 0 HB3 HIS A 78 14.779 15.722 -1.006 1.00 0.44 H new ATOM 0 HD2 HIS A 78 12.559 14.808 1.682 1.00 0.67 H new ATOM 0 HE1 HIS A 78 12.667 19.007 2.112 1.00 1.09 H new ATOM 0 HE2 HIS A 78 11.376 16.894 2.775 1.00 0.94 H new ATOM 1226 N ARG A 79 14.009 13.266 -1.705 1.00 0.38 N ATOM 1227 CA ARG A 79 12.962 12.618 -2.544 1.00 0.42 C ATOM 1228 C ARG A 79 12.606 11.254 -1.949 1.00 0.37 C ATOM 1229 O ARG A 79 11.488 10.791 -2.059 1.00 0.45 O ATOM 1230 CB ARG A 79 13.494 12.430 -3.967 1.00 0.46 C ATOM 1231 CG ARG A 79 12.323 12.180 -4.920 1.00 0.27 C ATOM 1232 CD ARG A 79 12.859 11.885 -6.322 1.00 0.24 C ATOM 1233 NE ARG A 79 12.246 12.830 -7.298 1.00 0.66 N ATOM 1234 CZ ARG A 79 12.764 12.966 -8.488 1.00 0.64 C ATOM 1235 NH1 ARG A 79 13.819 12.277 -8.824 1.00 0.72 N ATOM 1236 NH2 ARG A 79 12.227 13.794 -9.342 1.00 1.09 N ATOM 0 H ARG A 79 14.840 13.574 -2.209 1.00 0.38 H new ATOM 0 HA ARG A 79 12.073 13.248 -2.568 1.00 0.42 H new ATOM 0 HB2 ARG A 79 14.049 13.315 -4.279 1.00 0.46 H new ATOM 0 HB3 ARG A 79 14.189 11.591 -3.999 1.00 0.46 H new ATOM 0 HG2 ARG A 79 11.724 11.342 -4.565 1.00 0.27 H new ATOM 0 HG3 ARG A 79 11.669 13.051 -4.945 1.00 0.27 H new ATOM 0 HD2 ARG A 79 13.944 11.984 -6.336 1.00 0.24 H new ATOM 0 HD3 ARG A 79 12.629 10.857 -6.602 1.00 0.24 H new ATOM 0 HE ARG A 79 11.422 13.370 -7.036 1.00 0.66 H new ATOM 0 HH11 ARG A 79 14.240 11.631 -8.156 1.00 0.72 H new ATOM 0 HH12 ARG A 79 14.223 12.384 -9.754 1.00 0.72 H new ATOM 0 HH21 ARG A 79 11.403 14.334 -9.079 1.00 1.09 H new ATOM 0 HH22 ARG A 79 12.631 13.901 -10.272 1.00 1.09 H new ATOM 1250 N HIS A 80 13.548 10.609 -1.317 1.00 0.24 N ATOM 1251 CA HIS A 80 13.262 9.276 -0.715 1.00 0.21 C ATOM 1252 C HIS A 80 12.408 9.458 0.542 1.00 0.16 C ATOM 1253 O HIS A 80 11.390 8.817 0.711 1.00 0.16 O ATOM 1254 CB HIS A 80 14.578 8.591 -0.342 1.00 0.17 C ATOM 1255 CG HIS A 80 14.308 7.484 0.639 1.00 0.20 C ATOM 1256 ND1 HIS A 80 14.234 6.155 0.254 1.00 0.22 N ATOM 1257 CD2 HIS A 80 14.092 7.492 1.996 1.00 0.42 C ATOM 1258 CE1 HIS A 80 13.983 5.426 1.356 1.00 0.22 C ATOM 1259 NE2 HIS A 80 13.886 6.192 2.446 1.00 0.36 N ATOM 0 H HIS A 80 14.502 10.947 -1.192 1.00 0.24 H new ATOM 0 HA HIS A 80 12.724 8.660 -1.435 1.00 0.21 H new ATOM 0 HB2 HIS A 80 15.058 8.191 -1.235 1.00 0.17 H new ATOM 0 HB3 HIS A 80 15.267 9.316 0.092 1.00 0.17 H new ATOM 0 HD1 HIS A 80 14.349 5.795 -0.693 1.00 0.22 H new ATOM 0 HD2 HIS A 80 14.083 8.374 2.619 1.00 0.42 H new ATOM 0 HE1 HIS A 80 13.873 4.352 1.359 1.00 0.22 H new ATOM 1267 N LYS A 81 12.814 10.329 1.426 1.00 0.12 N ATOM 1268 CA LYS A 81 12.025 10.550 2.670 1.00 0.08 C ATOM 1269 C LYS A 81 10.556 10.777 2.308 1.00 0.07 C ATOM 1270 O LYS A 81 9.663 10.218 2.913 1.00 0.06 O ATOM 1271 CB LYS A 81 12.566 11.777 3.406 1.00 0.10 C ATOM 1272 CG LYS A 81 13.956 11.468 3.965 1.00 0.10 C ATOM 1273 CD LYS A 81 14.576 12.746 4.533 1.00 1.41 C ATOM 1274 CE LYS A 81 13.687 13.296 5.649 1.00 2.23 C ATOM 1275 NZ LYS A 81 12.635 14.172 5.062 1.00 3.78 N ATOM 0 H LYS A 81 13.657 10.896 1.340 1.00 0.12 H new ATOM 0 HA LYS A 81 12.109 9.675 3.314 1.00 0.08 H new ATOM 0 HB2 LYS A 81 12.617 12.628 2.727 1.00 0.10 H new ATOM 0 HB3 LYS A 81 11.891 12.055 4.215 1.00 0.10 H new ATOM 0 HG2 LYS A 81 13.885 10.709 4.744 1.00 0.10 H new ATOM 0 HG3 LYS A 81 14.593 11.061 3.180 1.00 0.10 H new ATOM 0 HD2 LYS A 81 15.574 12.538 4.919 1.00 1.41 H new ATOM 0 HD3 LYS A 81 14.688 13.490 3.744 1.00 1.41 H new ATOM 0 HE2 LYS A 81 13.226 12.475 6.199 1.00 2.23 H new ATOM 0 HE3 LYS A 81 14.288 13.860 6.362 1.00 2.23 H new ATOM 0 HZ1 LYS A 81 12.714 15.127 5.465 1.00 3.78 H new ATOM 0 HZ2 LYS A 81 12.759 14.220 4.031 1.00 3.78 H new ATOM 0 HZ3 LYS A 81 11.696 13.781 5.280 1.00 3.78 H new ATOM 1289 N GLN A 82 10.297 11.596 1.325 1.00 0.10 N ATOM 1290 CA GLN A 82 8.886 11.858 0.926 1.00 0.11 C ATOM 1291 C GLN A 82 8.185 10.530 0.630 1.00 0.07 C ATOM 1292 O GLN A 82 7.112 10.259 1.131 1.00 0.18 O ATOM 1293 CB GLN A 82 8.865 12.736 -0.327 1.00 0.15 C ATOM 1294 CG GLN A 82 7.856 13.871 -0.138 1.00 0.51 C ATOM 1295 CD GLN A 82 7.740 14.672 -1.436 1.00 0.16 C ATOM 1296 OE1 GLN A 82 6.758 15.352 -1.658 1.00 1.13 O ATOM 1297 NE2 GLN A 82 8.708 14.621 -2.310 1.00 1.26 N ATOM 0 H GLN A 82 11.002 12.095 0.782 1.00 0.10 H new ATOM 0 HA GLN A 82 8.368 12.370 1.737 1.00 0.11 H new ATOM 0 HB2 GLN A 82 9.858 13.145 -0.514 1.00 0.15 H new ATOM 0 HB3 GLN A 82 8.597 12.138 -1.198 1.00 0.15 H new ATOM 0 HG2 GLN A 82 6.883 13.465 0.139 1.00 0.51 H new ATOM 0 HG3 GLN A 82 8.173 14.522 0.677 1.00 0.51 H new ATOM 0 HE21 GLN A 82 9.533 14.050 -2.125 1.00 1.26 H new ATOM 0 HE22 GLN A 82 8.640 15.152 -3.178 1.00 1.26 H new ATOM 1306 N LEU A 83 8.783 9.701 -0.180 1.00 0.17 N ATOM 1307 CA LEU A 83 8.151 8.391 -0.506 1.00 0.17 C ATOM 1308 C LEU A 83 7.728 7.695 0.790 1.00 0.16 C ATOM 1309 O LEU A 83 6.568 7.400 0.997 1.00 0.16 O ATOM 1310 CB LEU A 83 9.156 7.513 -1.254 1.00 0.19 C ATOM 1311 CG LEU A 83 8.409 6.493 -2.119 1.00 0.20 C ATOM 1312 CD1 LEU A 83 9.419 5.636 -2.883 1.00 0.23 C ATOM 1313 CD2 LEU A 83 7.555 5.594 -1.224 1.00 0.19 C ATOM 0 H LEU A 83 9.682 9.874 -0.630 1.00 0.17 H new ATOM 0 HA LEU A 83 7.275 8.554 -1.134 1.00 0.17 H new ATOM 0 HB2 LEU A 83 9.799 8.132 -1.879 1.00 0.19 H new ATOM 0 HB3 LEU A 83 9.802 6.997 -0.544 1.00 0.19 H new ATOM 0 HG LEU A 83 7.767 7.018 -2.827 1.00 0.20 H new ATOM 0 HD11 LEU A 83 8.888 4.910 -3.499 1.00 0.23 H new ATOM 0 HD12 LEU A 83 10.030 6.275 -3.521 1.00 0.23 H new ATOM 0 HD13 LEU A 83 10.060 5.111 -2.175 1.00 0.23 H new ATOM 0 HD21 LEU A 83 7.023 4.868 -1.839 1.00 0.19 H new ATOM 0 HD22 LEU A 83 8.197 5.069 -0.517 1.00 0.19 H new ATOM 0 HD23 LEU A 83 6.835 6.203 -0.677 1.00 0.19 H new ATOM 1325 N ILE A 84 8.661 7.431 1.664 1.00 0.17 N ATOM 1326 CA ILE A 84 8.311 6.755 2.945 1.00 0.17 C ATOM 1327 C ILE A 84 7.113 7.460 3.583 1.00 0.15 C ATOM 1328 O ILE A 84 6.193 6.828 4.063 1.00 0.23 O ATOM 1329 CB ILE A 84 9.506 6.817 3.899 1.00 0.18 C ATOM 1330 CG1 ILE A 84 10.790 6.477 3.136 1.00 0.20 C ATOM 1331 CG2 ILE A 84 9.308 5.810 5.034 1.00 0.24 C ATOM 1332 CD1 ILE A 84 10.578 5.205 2.313 1.00 0.28 C ATOM 0 H ILE A 84 9.649 7.654 1.546 1.00 0.17 H new ATOM 0 HA ILE A 84 8.057 5.713 2.748 1.00 0.17 H new ATOM 0 HB ILE A 84 9.585 7.822 4.314 1.00 0.18 H new ATOM 0 HG12 ILE A 84 11.065 7.304 2.481 1.00 0.20 H new ATOM 0 HG13 ILE A 84 11.614 6.336 3.836 1.00 0.20 H new ATOM 0 HG21 ILE A 84 10.160 5.855 5.713 1.00 0.24 H new ATOM 0 HG22 ILE A 84 8.396 6.051 5.580 1.00 0.24 H new ATOM 0 HG23 ILE A 84 9.227 4.805 4.619 1.00 0.24 H new ATOM 0 HD11 ILE A 84 11.493 4.965 1.771 1.00 0.28 H new ATOM 0 HD12 ILE A 84 10.323 4.380 2.978 1.00 0.28 H new ATOM 0 HD13 ILE A 84 9.766 5.362 1.603 1.00 0.28 H new ATOM 1344 N ARG A 85 7.116 8.765 3.592 1.00 0.05 N ATOM 1345 CA ARG A 85 5.976 9.508 4.201 1.00 0.02 C ATOM 1346 C ARG A 85 4.679 9.122 3.488 1.00 0.10 C ATOM 1347 O ARG A 85 3.653 8.927 4.109 1.00 0.19 O ATOM 1348 CB ARG A 85 6.212 11.012 4.056 1.00 0.09 C ATOM 1349 CG ARG A 85 5.731 11.729 5.319 1.00 0.52 C ATOM 1350 CD ARG A 85 5.631 13.232 5.049 1.00 1.16 C ATOM 1351 NE ARG A 85 5.644 13.971 6.343 1.00 1.23 N ATOM 1352 CZ ARG A 85 5.866 15.257 6.357 1.00 1.67 C ATOM 1353 NH1 ARG A 85 6.077 15.895 5.240 1.00 2.36 N ATOM 1354 NH2 ARG A 85 5.876 15.904 7.491 1.00 1.83 N ATOM 0 H ARG A 85 7.858 9.348 3.205 1.00 0.05 H new ATOM 0 HA ARG A 85 5.899 9.254 5.258 1.00 0.02 H new ATOM 0 HB2 ARG A 85 7.271 11.210 3.894 1.00 0.09 H new ATOM 0 HB3 ARG A 85 5.679 11.392 3.184 1.00 0.09 H new ATOM 0 HG2 ARG A 85 4.760 11.339 5.624 1.00 0.52 H new ATOM 0 HG3 ARG A 85 6.422 11.542 6.141 1.00 0.52 H new ATOM 0 HD2 ARG A 85 6.463 13.556 4.424 1.00 1.16 H new ATOM 0 HD3 ARG A 85 4.716 13.454 4.500 1.00 1.16 H new ATOM 0 HE ARG A 85 5.479 13.472 7.217 1.00 1.23 H new ATOM 0 HH11 ARG A 85 6.069 15.389 4.354 1.00 2.36 H new ATOM 0 HH12 ARG A 85 6.250 16.900 5.252 1.00 2.36 H new ATOM 0 HH21 ARG A 85 5.710 15.404 8.365 1.00 1.83 H new ATOM 0 HH22 ARG A 85 6.049 16.909 7.503 1.00 1.83 H new ATOM 1368 N PHE A 86 4.715 9.012 2.189 1.00 0.10 N ATOM 1369 CA PHE A 86 3.483 8.640 1.438 1.00 0.17 C ATOM 1370 C PHE A 86 3.073 7.213 1.806 1.00 0.28 C ATOM 1371 O PHE A 86 1.934 6.948 2.134 1.00 0.31 O ATOM 1372 CB PHE A 86 3.759 8.719 -0.066 1.00 0.28 C ATOM 1373 CG PHE A 86 3.414 10.101 -0.568 1.00 0.29 C ATOM 1374 CD1 PHE A 86 2.094 10.412 -0.911 1.00 0.24 C ATOM 1375 CD2 PHE A 86 4.417 11.071 -0.692 1.00 0.44 C ATOM 1376 CE1 PHE A 86 1.773 11.692 -1.377 1.00 0.27 C ATOM 1377 CE2 PHE A 86 4.097 12.351 -1.158 1.00 0.54 C ATOM 1378 CZ PHE A 86 2.776 12.663 -1.501 1.00 0.44 C ATOM 0 H PHE A 86 5.544 9.164 1.615 1.00 0.10 H new ATOM 0 HA PHE A 86 2.678 9.328 1.697 1.00 0.17 H new ATOM 0 HB2 PHE A 86 4.808 8.499 -0.266 1.00 0.28 H new ATOM 0 HB3 PHE A 86 3.169 7.970 -0.595 1.00 0.28 H new ATOM 0 HD1 PHE A 86 1.321 9.663 -0.816 1.00 0.24 H new ATOM 0 HD2 PHE A 86 5.436 10.831 -0.428 1.00 0.44 H new ATOM 0 HE1 PHE A 86 0.753 11.931 -1.641 1.00 0.27 H new ATOM 0 HE2 PHE A 86 4.870 13.099 -1.253 1.00 0.54 H new ATOM 0 HZ PHE A 86 2.530 13.651 -1.861 1.00 0.44 H new ATOM 1388 N LEU A 87 3.994 6.289 1.756 1.00 0.35 N ATOM 1389 CA LEU A 87 3.657 4.880 2.103 1.00 0.48 C ATOM 1390 C LEU A 87 3.204 4.810 3.563 1.00 0.49 C ATOM 1391 O LEU A 87 2.351 4.022 3.920 1.00 0.66 O ATOM 1392 CB LEU A 87 4.891 3.997 1.908 1.00 0.59 C ATOM 1393 CG LEU A 87 4.852 3.353 0.518 1.00 0.82 C ATOM 1394 CD1 LEU A 87 6.201 2.694 0.225 1.00 0.84 C ATOM 1395 CD2 LEU A 87 3.747 2.291 0.459 1.00 0.95 C ATOM 0 H LEU A 87 4.965 6.450 1.490 1.00 0.35 H new ATOM 0 HA LEU A 87 2.854 4.528 1.456 1.00 0.48 H new ATOM 0 HB2 LEU A 87 5.797 4.593 2.018 1.00 0.59 H new ATOM 0 HB3 LEU A 87 4.922 3.225 2.676 1.00 0.59 H new ATOM 0 HG LEU A 87 4.647 4.124 -0.225 1.00 0.82 H new ATOM 0 HD11 LEU A 87 6.175 2.235 -0.763 1.00 0.84 H new ATOM 0 HD12 LEU A 87 6.988 3.447 0.255 1.00 0.84 H new ATOM 0 HD13 LEU A 87 6.403 1.929 0.975 1.00 0.84 H new ATOM 0 HD21 LEU A 87 3.728 1.840 -0.533 1.00 0.95 H new ATOM 0 HD22 LEU A 87 3.943 1.520 1.204 1.00 0.95 H new ATOM 0 HD23 LEU A 87 2.783 2.757 0.664 1.00 0.95 H new ATOM 1407 N LYS A 88 3.769 5.626 4.410 1.00 0.46 N ATOM 1408 CA LYS A 88 3.371 5.604 5.845 1.00 0.46 C ATOM 1409 C LYS A 88 2.004 6.275 6.005 1.00 0.38 C ATOM 1410 O LYS A 88 1.326 6.092 6.997 1.00 0.40 O ATOM 1411 CB LYS A 88 4.410 6.360 6.675 1.00 0.44 C ATOM 1412 CG LYS A 88 5.472 5.380 7.179 1.00 0.81 C ATOM 1413 CD LYS A 88 6.619 6.158 7.825 1.00 1.07 C ATOM 1414 CE LYS A 88 6.081 6.989 8.991 1.00 1.16 C ATOM 1415 NZ LYS A 88 5.586 8.298 8.480 1.00 2.88 N ATOM 0 H LYS A 88 4.489 6.307 4.170 1.00 0.46 H new ATOM 0 HA LYS A 88 3.312 4.572 6.190 1.00 0.46 H new ATOM 0 HB2 LYS A 88 4.876 7.139 6.072 1.00 0.44 H new ATOM 0 HB3 LYS A 88 3.928 6.855 7.518 1.00 0.44 H new ATOM 0 HG2 LYS A 88 5.033 4.692 7.901 1.00 0.81 H new ATOM 0 HG3 LYS A 88 5.848 4.777 6.352 1.00 0.81 H new ATOM 0 HD2 LYS A 88 7.385 5.469 8.179 1.00 1.07 H new ATOM 0 HD3 LYS A 88 7.091 6.808 7.089 1.00 1.07 H new ATOM 0 HE2 LYS A 88 5.275 6.453 9.492 1.00 1.16 H new ATOM 0 HE3 LYS A 88 6.866 7.148 9.731 1.00 1.16 H new ATOM 0 HZ1 LYS A 88 6.043 9.071 9.005 1.00 2.88 H new ATOM 0 HZ2 LYS A 88 5.813 8.384 7.469 1.00 2.88 H new ATOM 0 HZ3 LYS A 88 4.556 8.354 8.610 1.00 2.88 H new ATOM 1429 N ARG A 89 1.595 7.049 5.038 1.00 0.30 N ATOM 1430 CA ARG A 89 0.274 7.730 5.138 1.00 0.23 C ATOM 1431 C ARG A 89 -0.835 6.749 4.751 1.00 0.23 C ATOM 1432 O ARG A 89 -1.633 6.344 5.573 1.00 0.25 O ATOM 1433 CB ARG A 89 0.246 8.931 4.190 1.00 0.20 C ATOM 1434 CG ARG A 89 -1.206 9.327 3.910 1.00 0.76 C ATOM 1435 CD ARG A 89 -1.254 10.772 3.412 1.00 0.68 C ATOM 1436 NE ARG A 89 -1.540 11.683 4.556 1.00 0.40 N ATOM 1437 CZ ARG A 89 -1.338 12.965 4.435 1.00 0.55 C ATOM 1438 NH1 ARG A 89 -0.886 13.452 3.311 1.00 0.60 N ATOM 1439 NH2 ARG A 89 -1.588 13.763 5.437 1.00 1.14 N ATOM 0 H ARG A 89 2.118 7.239 4.183 1.00 0.30 H new ATOM 0 HA ARG A 89 0.117 8.071 6.161 1.00 0.23 H new ATOM 0 HB2 ARG A 89 0.784 9.770 4.632 1.00 0.20 H new ATOM 0 HB3 ARG A 89 0.753 8.683 3.257 1.00 0.20 H new ATOM 0 HG2 ARG A 89 -1.639 8.660 3.165 1.00 0.76 H new ATOM 0 HG3 ARG A 89 -1.803 9.223 4.816 1.00 0.76 H new ATOM 0 HD2 ARG A 89 -0.304 11.040 2.949 1.00 0.68 H new ATOM 0 HD3 ARG A 89 -2.023 10.879 2.647 1.00 0.68 H new ATOM 0 HE ARG A 89 -1.894 11.303 5.434 1.00 0.40 H new ATOM 0 HH11 ARG A 89 -0.691 12.829 2.527 1.00 0.60 H new ATOM 0 HH12 ARG A 89 -0.728 14.455 3.217 1.00 0.60 H new ATOM 0 HH21 ARG A 89 -1.942 13.384 6.315 1.00 1.14 H new ATOM 0 HH22 ARG A 89 -1.430 14.766 5.342 1.00 1.14 H new ATOM 1453 N LEU A 90 -0.892 6.364 3.506 1.00 0.23 N ATOM 1454 CA LEU A 90 -1.950 5.410 3.069 1.00 0.25 C ATOM 1455 C LEU A 90 -1.859 4.131 3.904 1.00 0.26 C ATOM 1456 O LEU A 90 -2.844 3.456 4.132 1.00 0.28 O ATOM 1457 CB LEU A 90 -1.754 5.070 1.590 1.00 0.27 C ATOM 1458 CG LEU A 90 -0.378 4.433 1.389 1.00 0.27 C ATOM 1459 CD1 LEU A 90 -0.537 2.925 1.183 1.00 0.34 C ATOM 1460 CD2 LEU A 90 0.291 5.046 0.157 1.00 0.26 C ATOM 0 H LEU A 90 -0.252 6.669 2.773 1.00 0.23 H new ATOM 0 HA LEU A 90 -2.930 5.866 3.208 1.00 0.25 H new ATOM 0 HB2 LEU A 90 -2.535 4.386 1.257 1.00 0.27 H new ATOM 0 HB3 LEU A 90 -1.841 5.972 0.984 1.00 0.27 H new ATOM 0 HG LEU A 90 0.238 4.616 2.269 1.00 0.27 H new ATOM 0 HD11 LEU A 90 0.444 2.472 1.040 1.00 0.34 H new ATOM 0 HD12 LEU A 90 -1.015 2.486 2.059 1.00 0.34 H new ATOM 0 HD13 LEU A 90 -1.154 2.741 0.303 1.00 0.34 H new ATOM 0 HD21 LEU A 90 1.272 4.593 0.012 1.00 0.26 H new ATOM 0 HD22 LEU A 90 -0.327 4.862 -0.722 1.00 0.26 H new ATOM 0 HD23 LEU A 90 0.405 6.120 0.302 1.00 0.26 H new ATOM 1472 N ASP A 91 -0.686 3.791 4.362 1.00 0.33 N ATOM 1473 CA ASP A 91 -0.535 2.555 5.181 1.00 0.35 C ATOM 1474 C ASP A 91 -1.468 2.629 6.391 1.00 0.30 C ATOM 1475 O ASP A 91 -2.085 1.655 6.771 1.00 0.31 O ATOM 1476 CB ASP A 91 0.913 2.435 5.661 1.00 0.42 C ATOM 1477 CG ASP A 91 0.972 1.511 6.878 1.00 0.29 C ATOM 1478 OD1 ASP A 91 0.792 2.003 7.980 1.00 1.12 O ATOM 1479 OD2 ASP A 91 1.197 0.327 6.689 1.00 1.16 O ATOM 0 H ASP A 91 0.175 4.315 4.205 1.00 0.33 H new ATOM 0 HA ASP A 91 -0.791 1.685 4.577 1.00 0.35 H new ATOM 0 HB2 ASP A 91 1.541 2.042 4.862 1.00 0.42 H new ATOM 0 HB3 ASP A 91 1.305 3.419 5.919 1.00 0.42 H new ATOM 1484 N ARG A 92 -1.579 3.780 6.997 1.00 0.28 N ATOM 1485 CA ARG A 92 -2.473 3.914 8.181 1.00 0.27 C ATOM 1486 C ARG A 92 -3.925 4.023 7.711 1.00 0.20 C ATOM 1487 O ARG A 92 -4.840 3.599 8.389 1.00 0.20 O ATOM 1488 CB ARG A 92 -2.095 5.175 8.966 1.00 0.34 C ATOM 1489 CG ARG A 92 -0.869 4.894 9.845 1.00 0.14 C ATOM 1490 CD ARG A 92 -1.234 3.929 10.982 1.00 0.61 C ATOM 1491 NE ARG A 92 -0.586 2.609 10.736 1.00 2.30 N ATOM 1492 CZ ARG A 92 -0.501 1.735 11.700 1.00 2.96 C ATOM 1493 NH1 ARG A 92 -0.982 2.016 12.881 1.00 2.18 N ATOM 1494 NH2 ARG A 92 0.065 0.579 11.485 1.00 4.52 N ATOM 0 H ARG A 92 -1.090 4.632 6.723 1.00 0.28 H new ATOM 0 HA ARG A 92 -2.362 3.040 8.822 1.00 0.27 H new ATOM 0 HB2 ARG A 92 -1.880 5.992 8.277 1.00 0.34 H new ATOM 0 HB3 ARG A 92 -2.933 5.493 9.586 1.00 0.34 H new ATOM 0 HG2 ARG A 92 -0.070 4.466 9.239 1.00 0.14 H new ATOM 0 HG3 ARG A 92 -0.490 5.828 10.260 1.00 0.14 H new ATOM 0 HD2 ARG A 92 -0.906 4.335 11.939 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -2.316 3.811 11.040 1.00 0.61 H new ATOM 0 HE ARG A 92 -0.209 2.390 9.814 1.00 2.30 H new ATOM 0 HH11 ARG A 92 -1.424 2.919 13.050 1.00 2.18 H new ATOM 0 HH12 ARG A 92 -0.915 1.332 13.635 1.00 2.18 H new ATOM 0 HH21 ARG A 92 0.441 0.359 10.563 1.00 4.52 H new ATOM 0 HH22 ARG A 92 0.131 -0.104 12.239 1.00 4.52 H new ATOM 1508 N ASN A 93 -4.142 4.587 6.555 1.00 0.19 N ATOM 1509 CA ASN A 93 -5.534 4.722 6.043 1.00 0.12 C ATOM 1510 C ASN A 93 -6.180 3.337 5.952 1.00 0.03 C ATOM 1511 O ASN A 93 -7.281 3.124 6.419 1.00 0.12 O ATOM 1512 CB ASN A 93 -5.508 5.364 4.654 1.00 0.17 C ATOM 1513 CG ASN A 93 -4.994 6.800 4.765 1.00 0.30 C ATOM 1514 OD1 ASN A 93 -3.865 7.025 5.151 1.00 0.62 O ATOM 1515 ND2 ASN A 93 -5.782 7.789 4.439 1.00 1.42 N ATOM 0 H ASN A 93 -3.416 4.960 5.943 1.00 0.19 H new ATOM 0 HA ASN A 93 -6.111 5.349 6.722 1.00 0.12 H new ATOM 0 HB2 ASN A 93 -4.867 4.788 3.987 1.00 0.17 H new ATOM 0 HB3 ASN A 93 -6.508 5.357 4.220 1.00 0.17 H new ATOM 0 HD21 ASN A 93 -5.449 8.751 4.509 1.00 1.42 H new ATOM 0 HD22 ASN A 93 -6.730 7.600 4.115 1.00 1.42 H new ATOM 1522 N LEU A 94 -5.503 2.395 5.355 1.00 0.07 N ATOM 1523 CA LEU A 94 -6.077 1.026 5.236 1.00 0.18 C ATOM 1524 C LEU A 94 -6.243 0.420 6.630 1.00 0.22 C ATOM 1525 O LEU A 94 -7.343 0.170 7.084 1.00 0.40 O ATOM 1526 CB LEU A 94 -5.138 0.147 4.407 1.00 0.22 C ATOM 1527 CG LEU A 94 -4.797 0.858 3.096 1.00 0.22 C ATOM 1528 CD1 LEU A 94 -3.859 -0.021 2.267 1.00 0.48 C ATOM 1529 CD2 LEU A 94 -6.083 1.117 2.307 1.00 0.45 C ATOM 0 H LEU A 94 -4.577 2.515 4.945 1.00 0.07 H new ATOM 0 HA LEU A 94 -7.049 1.082 4.745 1.00 0.18 H new ATOM 0 HB2 LEU A 94 -4.227 -0.060 4.968 1.00 0.22 H new ATOM 0 HB3 LEU A 94 -5.610 -0.813 4.200 1.00 0.22 H new ATOM 0 HG LEU A 94 -4.307 1.807 3.315 1.00 0.22 H new ATOM 0 HD11 LEU A 94 -3.616 0.486 1.333 1.00 0.48 H new ATOM 0 HD12 LEU A 94 -2.943 -0.206 2.828 1.00 0.48 H new ATOM 0 HD13 LEU A 94 -4.348 -0.970 2.048 1.00 0.48 H new ATOM 0 HD21 LEU A 94 -5.841 1.624 1.373 1.00 0.45 H new ATOM 0 HD22 LEU A 94 -6.573 0.168 2.089 1.00 0.45 H new ATOM 0 HD23 LEU A 94 -6.752 1.744 2.897 1.00 0.45 H new ATOM 1541 N TRP A 95 -5.159 0.181 7.316 1.00 0.18 N ATOM 1542 CA TRP A 95 -5.254 -0.408 8.682 1.00 0.32 C ATOM 1543 C TRP A 95 -6.258 0.391 9.514 1.00 0.37 C ATOM 1544 O TRP A 95 -6.664 -0.024 10.580 1.00 0.47 O ATOM 1545 CB TRP A 95 -3.881 -0.360 9.355 1.00 0.38 C ATOM 1546 CG TRP A 95 -3.983 -0.921 10.736 1.00 0.53 C ATOM 1547 CD1 TRP A 95 -4.199 -0.193 11.856 1.00 0.61 C ATOM 1548 CD2 TRP A 95 -3.878 -2.309 11.165 1.00 0.61 C ATOM 1549 NE1 TRP A 95 -4.233 -1.046 12.944 1.00 0.74 N ATOM 1550 CE2 TRP A 95 -4.040 -2.361 12.570 1.00 0.75 C ATOM 1551 CE3 TRP A 95 -3.660 -3.517 10.479 1.00 0.58 C ATOM 1552 CZ2 TRP A 95 -3.988 -3.568 13.268 1.00 0.85 C ATOM 1553 CZ3 TRP A 95 -3.607 -4.734 11.178 1.00 0.69 C ATOM 1554 CH2 TRP A 95 -3.770 -4.759 12.570 1.00 0.82 C ATOM 0 H TRP A 95 -4.211 0.368 6.989 1.00 0.18 H new ATOM 0 HA TRP A 95 -5.586 -1.443 8.608 1.00 0.32 H new ATOM 0 HB2 TRP A 95 -3.158 -0.931 8.772 1.00 0.38 H new ATOM 0 HB3 TRP A 95 -3.519 0.667 9.394 1.00 0.38 H new ATOM 0 HD1 TRP A 95 -4.324 0.879 11.894 1.00 0.61 H new ATOM 0 HE1 TRP A 95 -4.382 -0.741 13.906 1.00 0.74 H new ATOM 0 HE3 TRP A 95 -3.532 -3.509 9.407 1.00 0.58 H new ATOM 0 HZ2 TRP A 95 -4.115 -3.582 14.340 1.00 0.85 H new ATOM 0 HZ3 TRP A 95 -3.440 -5.655 10.640 1.00 0.69 H new ATOM 0 HH2 TRP A 95 -3.727 -5.698 13.103 1.00 0.82 H new ATOM 1565 N GLY A 96 -6.662 1.536 9.034 1.00 0.30 N ATOM 1566 CA GLY A 96 -7.640 2.361 9.799 1.00 0.34 C ATOM 1567 C GLY A 96 -9.052 1.813 9.583 1.00 0.37 C ATOM 1568 O GLY A 96 -9.660 1.268 10.483 1.00 0.42 O ATOM 0 H GLY A 96 -6.357 1.935 8.146 1.00 0.30 H new ATOM 0 HA2 GLY A 96 -7.392 2.347 10.860 1.00 0.34 H new ATOM 0 HA3 GLY A 96 -7.588 3.400 9.473 1.00 0.34 H new ATOM 1572 N LEU A 97 -9.578 1.952 8.398 1.00 0.34 N ATOM 1573 CA LEU A 97 -10.950 1.439 8.126 1.00 0.37 C ATOM 1574 C LEU A 97 -10.994 -0.068 8.384 1.00 0.37 C ATOM 1575 O LEU A 97 -12.025 -0.699 8.263 1.00 0.38 O ATOM 1576 CB LEU A 97 -11.337 1.730 6.669 1.00 0.36 C ATOM 1577 CG LEU A 97 -10.227 1.262 5.711 1.00 0.33 C ATOM 1578 CD1 LEU A 97 -10.171 -0.271 5.643 1.00 0.33 C ATOM 1579 CD2 LEU A 97 -10.509 1.814 4.312 1.00 0.33 C ATOM 0 H LEU A 97 -9.117 2.399 7.606 1.00 0.34 H new ATOM 0 HA LEU A 97 -11.658 1.938 8.787 1.00 0.37 H new ATOM 0 HB2 LEU A 97 -12.271 1.224 6.427 1.00 0.36 H new ATOM 0 HB3 LEU A 97 -11.511 2.798 6.539 1.00 0.36 H new ATOM 0 HG LEU A 97 -9.270 1.629 6.081 1.00 0.33 H new ATOM 0 HD11 LEU A 97 -9.379 -0.576 4.960 1.00 0.33 H new ATOM 0 HD12 LEU A 97 -9.968 -0.672 6.636 1.00 0.33 H new ATOM 0 HD13 LEU A 97 -11.126 -0.654 5.285 1.00 0.33 H new ATOM 0 HD21 LEU A 97 -9.727 1.487 3.627 1.00 0.33 H new ATOM 0 HD22 LEU A 97 -11.474 1.446 3.963 1.00 0.33 H new ATOM 0 HD23 LEU A 97 -10.528 2.903 4.348 1.00 0.33 H new ATOM 1591 N ALA A 98 -9.881 -0.651 8.736 1.00 0.36 N ATOM 1592 CA ALA A 98 -9.860 -2.117 8.999 1.00 0.35 C ATOM 1593 C ALA A 98 -10.169 -2.376 10.476 1.00 0.56 C ATOM 1594 O ALA A 98 -11.180 -2.958 10.814 1.00 0.68 O ATOM 1595 CB ALA A 98 -8.476 -2.675 8.663 1.00 0.19 C ATOM 0 H ALA A 98 -8.986 -0.176 8.853 1.00 0.36 H new ATOM 0 HA ALA A 98 -10.611 -2.608 8.379 1.00 0.35 H new ATOM 0 HB1 ALA A 98 -8.460 -3.748 8.855 1.00 0.19 H new ATOM 0 HB2 ALA A 98 -8.255 -2.491 7.612 1.00 0.19 H new ATOM 0 HB3 ALA A 98 -7.726 -2.184 9.283 1.00 0.19 H new ATOM 1601 N GLY A 99 -9.307 -1.946 11.356 1.00 0.63 N ATOM 1602 CA GLY A 99 -9.552 -2.168 12.809 1.00 0.85 C ATOM 1603 C GLY A 99 -9.419 -3.659 13.127 1.00 0.80 C ATOM 1604 O GLY A 99 -10.106 -4.184 13.981 1.00 0.89 O ATOM 0 H GLY A 99 -8.444 -1.451 11.132 1.00 0.63 H new ATOM 0 HA2 GLY A 99 -8.839 -1.594 13.401 1.00 0.85 H new ATOM 0 HA3 GLY A 99 -10.547 -1.815 13.079 1.00 0.85 H new ATOM 1608 N LEU A 100 -8.540 -4.344 12.448 1.00 0.71 N ATOM 1609 CA LEU A 100 -8.364 -5.800 12.711 1.00 0.68 C ATOM 1610 C LEU A 100 -7.245 -6.001 13.735 1.00 0.71 C ATOM 1611 O LEU A 100 -6.075 -5.946 13.409 1.00 1.00 O ATOM 1612 CB LEU A 100 -7.996 -6.513 11.408 1.00 0.63 C ATOM 1613 CG LEU A 100 -9.126 -6.336 10.392 1.00 1.30 C ATOM 1614 CD1 LEU A 100 -8.544 -6.326 8.977 1.00 1.75 C ATOM 1615 CD2 LEU A 100 -10.115 -7.497 10.527 1.00 1.63 C ATOM 0 H LEU A 100 -7.936 -3.958 11.722 1.00 0.71 H new ATOM 0 HA LEU A 100 -9.294 -6.214 13.102 1.00 0.68 H new ATOM 0 HB2 LEU A 100 -7.067 -6.107 11.009 1.00 0.63 H new ATOM 0 HB3 LEU A 100 -7.825 -7.573 11.597 1.00 0.63 H new ATOM 0 HG LEU A 100 -9.640 -5.393 10.579 1.00 1.30 H new ATOM 0 HD11 LEU A 100 -9.349 -6.200 8.253 1.00 1.75 H new ATOM 0 HD12 LEU A 100 -7.837 -5.502 8.880 1.00 1.75 H new ATOM 0 HD13 LEU A 100 -8.031 -7.269 8.788 1.00 1.75 H new ATOM 0 HD21 LEU A 100 -10.922 -7.374 9.804 1.00 1.63 H new ATOM 0 HD22 LEU A 100 -9.599 -8.438 10.338 1.00 1.63 H new ATOM 0 HD23 LEU A 100 -10.529 -7.507 11.535 1.00 1.63 H new ATOM 1627 N ASN A 101 -7.593 -6.233 14.971 1.00 0.68 N ATOM 1628 CA ASN A 101 -6.548 -6.438 16.013 1.00 0.67 C ATOM 1629 C ASN A 101 -5.699 -7.658 15.649 1.00 0.54 C ATOM 1630 O ASN A 101 -4.510 -7.553 15.420 1.00 0.59 O ATOM 1631 CB ASN A 101 -7.218 -6.670 17.369 1.00 0.73 C ATOM 1632 CG ASN A 101 -6.226 -6.353 18.489 1.00 1.55 C ATOM 1633 OD1 ASN A 101 -5.719 -7.245 19.138 1.00 2.30 O ATOM 1634 ND2 ASN A 101 -5.927 -5.108 18.746 1.00 1.92 N ATOM 0 H ASN A 101 -8.555 -6.289 15.304 1.00 0.68 H new ATOM 0 HA ASN A 101 -5.912 -5.555 16.069 1.00 0.67 H new ATOM 0 HB2 ASN A 101 -8.102 -6.039 17.462 1.00 0.73 H new ATOM 0 HB3 ASN A 101 -7.554 -7.704 17.448 1.00 0.73 H new ATOM 0 HD21 ASN A 101 -5.268 -4.885 19.492 1.00 1.92 H new ATOM 0 HD22 ASN A 101 -6.353 -4.358 18.201 1.00 1.92 H new ATOM 1641 N SER A 102 -6.299 -8.815 15.593 1.00 0.42 N ATOM 1642 CA SER A 102 -5.525 -10.040 15.243 1.00 0.29 C ATOM 1643 C SER A 102 -5.549 -10.242 13.726 1.00 0.27 C ATOM 1644 O SER A 102 -6.587 -10.178 13.098 1.00 0.35 O ATOM 1645 CB SER A 102 -6.155 -11.253 15.929 1.00 0.25 C ATOM 1646 OG SER A 102 -6.113 -11.070 17.338 1.00 1.41 O ATOM 0 H SER A 102 -7.291 -8.965 15.774 1.00 0.42 H new ATOM 0 HA SER A 102 -4.494 -9.927 15.578 1.00 0.29 H new ATOM 0 HB2 SER A 102 -7.186 -11.378 15.598 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.619 -12.161 15.652 1.00 0.25 H new ATOM 0 HG SER A 102 -6.518 -11.845 17.781 1.00 1.41 H new ATOM 1652 N CYS A 103 -4.412 -10.486 13.134 1.00 0.19 N ATOM 1653 CA CYS A 103 -4.372 -10.692 11.658 1.00 0.16 C ATOM 1654 C CYS A 103 -3.030 -11.320 11.259 1.00 0.14 C ATOM 1655 O CYS A 103 -2.224 -10.680 10.614 1.00 0.22 O ATOM 1656 CB CYS A 103 -4.520 -9.340 10.958 1.00 0.26 C ATOM 1657 SG CYS A 103 -4.938 -9.605 9.217 1.00 0.10 S ATOM 0 H CYS A 103 -3.511 -10.552 13.607 1.00 0.19 H new ATOM 0 HA CYS A 103 -5.185 -11.355 11.363 1.00 0.16 H new ATOM 0 HB2 CYS A 103 -5.297 -8.750 11.444 1.00 0.26 H new ATOM 0 HB3 CYS A 103 -3.592 -8.773 11.038 1.00 0.26 H new ATOM 1662 N PRO A 104 -2.822 -12.556 11.653 1.00 0.10 N ATOM 1663 CA PRO A 104 -1.572 -13.270 11.337 1.00 0.20 C ATOM 1664 C PRO A 104 -1.430 -13.441 9.822 1.00 0.22 C ATOM 1665 O PRO A 104 -2.405 -13.572 9.109 1.00 0.19 O ATOM 1666 CB PRO A 104 -1.711 -14.634 12.025 1.00 0.23 C ATOM 1667 CG PRO A 104 -3.091 -14.669 12.730 1.00 0.16 C ATOM 1668 CD PRO A 104 -3.800 -13.335 12.438 1.00 0.05 C ATOM 0 HA PRO A 104 -0.688 -12.731 11.678 1.00 0.20 H new ATOM 0 HB2 PRO A 104 -1.634 -15.440 11.295 1.00 0.23 H new ATOM 0 HB3 PRO A 104 -0.909 -14.781 12.748 1.00 0.23 H new ATOM 0 HG2 PRO A 104 -3.686 -15.506 12.365 1.00 0.16 H new ATOM 0 HG3 PRO A 104 -2.968 -14.810 13.804 1.00 0.16 H new ATOM 0 HD2 PRO A 104 -4.723 -13.491 11.879 1.00 0.05 H new ATOM 0 HD3 PRO A 104 -4.069 -12.819 13.360 1.00 0.05 H new ATOM 1676 N VAL A 105 -0.222 -13.443 9.327 1.00 0.27 N ATOM 1677 CA VAL A 105 -0.018 -13.606 7.859 1.00 0.29 C ATOM 1678 C VAL A 105 0.194 -15.085 7.535 1.00 0.34 C ATOM 1679 O VAL A 105 0.811 -15.814 8.287 1.00 0.32 O ATOM 1680 CB VAL A 105 1.212 -12.808 7.424 1.00 0.34 C ATOM 1681 CG1 VAL A 105 2.478 -13.598 7.757 1.00 0.68 C ATOM 1682 CG2 VAL A 105 1.149 -12.559 5.915 1.00 0.24 C ATOM 0 H VAL A 105 0.632 -13.339 9.875 1.00 0.27 H new ATOM 0 HA VAL A 105 -0.896 -13.240 7.327 1.00 0.29 H new ATOM 0 HB VAL A 105 1.231 -11.854 7.951 1.00 0.34 H new ATOM 0 HG11 VAL A 105 3.354 -13.029 7.447 1.00 0.68 H new ATOM 0 HG12 VAL A 105 2.523 -13.777 8.831 1.00 0.68 H new ATOM 0 HG13 VAL A 105 2.460 -14.552 7.231 1.00 0.68 H new ATOM 0 HG21 VAL A 105 2.025 -11.990 5.603 1.00 0.24 H new ATOM 0 HG22 VAL A 105 1.130 -13.514 5.389 1.00 0.24 H new ATOM 0 HG23 VAL A 105 0.247 -11.996 5.677 1.00 0.24 H new ATOM 1692 N LYS A 106 -0.314 -15.538 6.421 1.00 0.49 N ATOM 1693 CA LYS A 106 -0.141 -16.969 6.049 1.00 0.58 C ATOM 1694 C LYS A 106 1.106 -17.124 5.177 1.00 0.59 C ATOM 1695 O LYS A 106 2.216 -16.906 5.620 1.00 0.75 O ATOM 1696 CB LYS A 106 -1.369 -17.448 5.272 1.00 0.54 C ATOM 1697 CG LYS A 106 -2.545 -17.631 6.235 1.00 1.75 C ATOM 1698 CD LYS A 106 -3.819 -17.918 5.438 1.00 2.33 C ATOM 1699 CE LYS A 106 -3.630 -19.193 4.616 1.00 1.75 C ATOM 1700 NZ LYS A 106 -4.961 -19.805 4.336 1.00 2.72 N ATOM 0 H LYS A 106 -0.842 -14.977 5.752 1.00 0.49 H new ATOM 0 HA LYS A 106 -0.028 -17.566 6.954 1.00 0.58 H new ATOM 0 HB2 LYS A 106 -1.628 -16.725 4.499 1.00 0.54 H new ATOM 0 HB3 LYS A 106 -1.149 -18.389 4.768 1.00 0.54 H new ATOM 0 HG2 LYS A 106 -2.341 -18.452 6.923 1.00 1.75 H new ATOM 0 HG3 LYS A 106 -2.676 -16.734 6.840 1.00 1.75 H new ATOM 0 HD2 LYS A 106 -4.666 -18.031 6.115 1.00 2.33 H new ATOM 0 HD3 LYS A 106 -4.046 -17.079 4.780 1.00 2.33 H new ATOM 0 HE2 LYS A 106 -3.119 -18.963 3.681 1.00 1.75 H new ATOM 0 HE3 LYS A 106 -3.000 -19.898 5.158 1.00 1.75 H new ATOM 0 HZ1 LYS A 106 -4.833 -20.673 3.777 1.00 2.72 H new ATOM 0 HZ2 LYS A 106 -5.432 -20.038 5.234 1.00 2.72 H new ATOM 0 HZ3 LYS A 106 -5.547 -19.132 3.802 1.00 2.72 H new ATOM 1714 N GLU A 107 0.933 -17.496 3.938 1.00 0.49 N ATOM 1715 CA GLU A 107 2.108 -17.664 3.039 1.00 0.50 C ATOM 1716 C GLU A 107 1.707 -17.311 1.605 1.00 0.57 C ATOM 1717 O GLU A 107 0.543 -17.324 1.254 1.00 0.83 O ATOM 1718 CB GLU A 107 2.589 -19.115 3.092 1.00 0.58 C ATOM 1719 CG GLU A 107 3.348 -19.354 4.398 1.00 0.55 C ATOM 1720 CD GLU A 107 3.905 -20.779 4.412 1.00 1.12 C ATOM 1721 OE1 GLU A 107 3.911 -21.401 3.363 1.00 1.54 O ATOM 1722 OE2 GLU A 107 4.316 -21.223 5.472 1.00 1.93 O ATOM 0 H GLU A 107 0.028 -17.691 3.510 1.00 0.49 H new ATOM 0 HA GLU A 107 2.912 -17.004 3.365 1.00 0.50 H new ATOM 0 HB2 GLU A 107 1.739 -19.794 3.024 1.00 0.58 H new ATOM 0 HB3 GLU A 107 3.235 -19.326 2.240 1.00 0.58 H new ATOM 0 HG2 GLU A 107 4.160 -18.634 4.496 1.00 0.55 H new ATOM 0 HG3 GLU A 107 2.684 -19.203 5.249 1.00 0.55 H new ATOM 1729 N ALA A 108 2.661 -16.997 0.772 1.00 0.37 N ATOM 1730 CA ALA A 108 2.333 -16.645 -0.638 1.00 0.42 C ATOM 1731 C ALA A 108 3.622 -16.588 -1.463 1.00 0.33 C ATOM 1732 O ALA A 108 4.679 -16.978 -1.008 1.00 0.40 O ATOM 1733 CB ALA A 108 1.643 -15.280 -0.676 1.00 0.52 C ATOM 0 H ALA A 108 3.653 -16.969 1.007 1.00 0.37 H new ATOM 0 HA ALA A 108 1.667 -17.400 -1.055 1.00 0.42 H new ATOM 0 HB1 ALA A 108 1.403 -15.022 -1.708 1.00 0.52 H new ATOM 0 HB2 ALA A 108 0.725 -15.320 -0.089 1.00 0.52 H new ATOM 0 HB3 ALA A 108 2.308 -14.524 -0.259 1.00 0.52 H new ATOM 1739 N ASP A 109 3.542 -16.106 -2.673 1.00 0.20 N ATOM 1740 CA ASP A 109 4.761 -16.026 -3.524 1.00 0.19 C ATOM 1741 C ASP A 109 5.438 -14.668 -3.320 1.00 0.25 C ATOM 1742 O ASP A 109 5.832 -14.319 -2.225 1.00 0.32 O ATOM 1743 CB ASP A 109 4.368 -16.183 -4.994 1.00 0.22 C ATOM 1744 CG ASP A 109 3.785 -17.579 -5.220 1.00 0.32 C ATOM 1745 OD1 ASP A 109 3.384 -18.197 -4.247 1.00 1.48 O ATOM 1746 OD2 ASP A 109 3.748 -18.007 -6.361 1.00 1.48 O ATOM 0 H ASP A 109 2.685 -15.764 -3.108 1.00 0.20 H new ATOM 0 HA ASP A 109 5.451 -16.822 -3.245 1.00 0.19 H new ATOM 0 HB2 ASP A 109 3.637 -15.423 -5.269 1.00 0.22 H new ATOM 0 HB3 ASP A 109 5.239 -16.033 -5.632 1.00 0.22 H new ATOM 1751 N GLN A 110 5.573 -13.900 -4.365 1.00 0.26 N ATOM 1752 CA GLN A 110 6.224 -12.566 -4.230 1.00 0.35 C ATOM 1753 C GLN A 110 5.788 -11.666 -5.389 1.00 0.26 C ATOM 1754 O GLN A 110 5.339 -12.134 -6.416 1.00 0.22 O ATOM 1755 CB GLN A 110 7.745 -12.734 -4.257 1.00 0.51 C ATOM 1756 CG GLN A 110 8.223 -12.822 -5.708 1.00 1.50 C ATOM 1757 CD GLN A 110 9.600 -13.487 -5.753 1.00 1.67 C ATOM 1758 OE1 GLN A 110 10.022 -13.969 -6.785 1.00 2.78 O ATOM 1759 NE2 GLN A 110 10.324 -13.533 -4.667 1.00 0.73 N ATOM 0 H GLN A 110 5.261 -14.138 -5.307 1.00 0.26 H new ATOM 0 HA GLN A 110 5.927 -12.111 -3.285 1.00 0.35 H new ATOM 0 HB2 GLN A 110 8.223 -11.893 -3.756 1.00 0.51 H new ATOM 0 HB3 GLN A 110 8.032 -13.634 -3.713 1.00 0.51 H new ATOM 0 HG2 GLN A 110 7.511 -13.395 -6.302 1.00 1.50 H new ATOM 0 HG3 GLN A 110 8.274 -11.825 -6.146 1.00 1.50 H new ATOM 0 HE21 GLN A 110 9.970 -13.128 -3.800 1.00 0.73 H new ATOM 0 HE22 GLN A 110 11.244 -13.974 -4.686 1.00 0.73 H new ATOM 1768 N SER A 111 5.918 -10.377 -5.232 1.00 0.30 N ATOM 1769 CA SER A 111 5.512 -9.449 -6.325 1.00 0.22 C ATOM 1770 C SER A 111 6.404 -8.206 -6.296 1.00 0.19 C ATOM 1771 O SER A 111 7.077 -7.936 -5.322 1.00 0.22 O ATOM 1772 CB SER A 111 4.053 -9.035 -6.125 1.00 0.16 C ATOM 1773 OG SER A 111 3.795 -8.883 -4.736 1.00 0.23 O ATOM 0 H SER A 111 6.288 -9.927 -4.395 1.00 0.30 H new ATOM 0 HA SER A 111 5.619 -9.950 -7.287 1.00 0.22 H new ATOM 0 HB2 SER A 111 3.853 -8.100 -6.648 1.00 0.16 H new ATOM 0 HB3 SER A 111 3.388 -9.787 -6.550 1.00 0.16 H new ATOM 0 HG SER A 111 2.828 -8.838 -4.586 1.00 0.23 H new ATOM 1779 N THR A 112 6.414 -7.448 -7.359 1.00 0.21 N ATOM 1780 CA THR A 112 7.263 -6.224 -7.391 1.00 0.17 C ATOM 1781 C THR A 112 6.442 -5.021 -6.924 1.00 0.11 C ATOM 1782 O THR A 112 5.281 -4.883 -7.255 1.00 0.07 O ATOM 1783 CB THR A 112 7.755 -5.982 -8.821 1.00 0.19 C ATOM 1784 OG1 THR A 112 6.639 -5.753 -9.671 1.00 0.29 O ATOM 1785 CG2 THR A 112 8.530 -7.206 -9.310 1.00 0.49 C ATOM 0 H THR A 112 5.872 -7.623 -8.205 1.00 0.21 H new ATOM 0 HA THR A 112 8.119 -6.358 -6.730 1.00 0.17 H new ATOM 0 HB THR A 112 8.410 -5.111 -8.838 1.00 0.19 H new ATOM 0 HG1 THR A 112 6.952 -5.596 -10.586 1.00 0.29 H new ATOM 0 HG21 THR A 112 8.880 -7.033 -10.328 1.00 0.49 H new ATOM 0 HG22 THR A 112 9.385 -7.380 -8.657 1.00 0.49 H new ATOM 0 HG23 THR A 112 7.878 -8.080 -9.294 1.00 0.49 H new ATOM 1793 N LEU A 113 7.036 -4.148 -6.156 1.00 0.12 N ATOM 1794 CA LEU A 113 6.290 -2.954 -5.667 1.00 0.07 C ATOM 1795 C LEU A 113 5.546 -2.306 -6.837 1.00 0.03 C ATOM 1796 O LEU A 113 4.547 -1.638 -6.657 1.00 0.14 O ATOM 1797 CB LEU A 113 7.278 -1.948 -5.068 1.00 0.04 C ATOM 1798 CG LEU A 113 6.515 -0.785 -4.421 1.00 0.10 C ATOM 1799 CD1 LEU A 113 5.695 -1.287 -3.226 1.00 0.18 C ATOM 1800 CD2 LEU A 113 7.515 0.269 -3.939 1.00 0.09 C ATOM 0 H LEU A 113 8.006 -4.210 -5.846 1.00 0.12 H new ATOM 0 HA LEU A 113 5.573 -3.257 -4.904 1.00 0.07 H new ATOM 0 HB2 LEU A 113 7.905 -2.440 -4.325 1.00 0.04 H new ATOM 0 HB3 LEU A 113 7.942 -1.570 -5.846 1.00 0.04 H new ATOM 0 HG LEU A 113 5.840 -0.350 -5.158 1.00 0.10 H new ATOM 0 HD11 LEU A 113 5.159 -0.452 -2.776 1.00 0.18 H new ATOM 0 HD12 LEU A 113 4.980 -2.037 -3.565 1.00 0.18 H new ATOM 0 HD13 LEU A 113 6.363 -1.730 -2.487 1.00 0.18 H new ATOM 0 HD21 LEU A 113 6.977 1.097 -3.478 1.00 0.09 H new ATOM 0 HD22 LEU A 113 8.189 -0.177 -3.208 1.00 0.09 H new ATOM 0 HD23 LEU A 113 8.092 0.638 -4.787 1.00 0.09 H new ATOM 1812 N GLU A 114 6.024 -2.498 -8.037 1.00 0.16 N ATOM 1813 CA GLU A 114 5.344 -1.893 -9.215 1.00 0.18 C ATOM 1814 C GLU A 114 4.042 -2.647 -9.497 1.00 0.16 C ATOM 1815 O GLU A 114 2.967 -2.200 -9.151 1.00 0.16 O ATOM 1816 CB GLU A 114 6.261 -1.986 -10.437 1.00 0.29 C ATOM 1817 CG GLU A 114 5.574 -1.340 -11.642 1.00 0.50 C ATOM 1818 CD GLU A 114 6.591 -1.154 -12.770 1.00 0.76 C ATOM 1819 OE1 GLU A 114 7.617 -0.544 -12.522 1.00 0.83 O ATOM 1820 OE2 GLU A 114 6.324 -1.627 -13.863 1.00 1.62 O ATOM 0 H GLU A 114 6.856 -3.048 -8.251 1.00 0.16 H new ATOM 0 HA GLU A 114 5.120 -0.847 -9.006 1.00 0.18 H new ATOM 0 HB2 GLU A 114 7.208 -1.485 -10.233 1.00 0.29 H new ATOM 0 HB3 GLU A 114 6.492 -3.029 -10.653 1.00 0.29 H new ATOM 0 HG2 GLU A 114 4.748 -1.965 -11.982 1.00 0.50 H new ATOM 0 HG3 GLU A 114 5.149 -0.377 -11.359 1.00 0.50 H new ATOM 1827 N ASN A 115 4.132 -3.790 -10.122 1.00 0.18 N ATOM 1828 CA ASN A 115 2.900 -4.571 -10.424 1.00 0.18 C ATOM 1829 C ASN A 115 2.039 -4.676 -9.163 1.00 0.16 C ATOM 1830 O ASN A 115 0.833 -4.543 -9.211 1.00 0.18 O ATOM 1831 CB ASN A 115 3.288 -5.975 -10.893 1.00 0.23 C ATOM 1832 CG ASN A 115 3.854 -5.901 -12.313 1.00 0.37 C ATOM 1833 OD1 ASN A 115 3.932 -4.836 -12.894 1.00 1.13 O ATOM 1834 ND2 ASN A 115 4.255 -6.994 -12.901 1.00 1.46 N ATOM 0 H ASN A 115 5.004 -4.215 -10.436 1.00 0.18 H new ATOM 0 HA ASN A 115 2.335 -4.068 -11.209 1.00 0.18 H new ATOM 0 HB2 ASN A 115 4.028 -6.404 -10.217 1.00 0.23 H new ATOM 0 HB3 ASN A 115 2.418 -6.631 -10.871 1.00 0.23 H new ATOM 0 HD21 ASN A 115 4.634 -6.955 -13.847 1.00 1.46 H new ATOM 0 HD22 ASN A 115 4.190 -7.888 -12.414 1.00 1.46 H new ATOM 1841 N PHE A 116 2.651 -4.910 -8.034 1.00 0.12 N ATOM 1842 CA PHE A 116 1.867 -5.023 -6.772 1.00 0.12 C ATOM 1843 C PHE A 116 0.969 -3.792 -6.619 1.00 0.13 C ATOM 1844 O PHE A 116 -0.231 -3.904 -6.458 1.00 0.09 O ATOM 1845 CB PHE A 116 2.825 -5.106 -5.583 1.00 0.09 C ATOM 1846 CG PHE A 116 2.032 -5.151 -4.299 1.00 0.15 C ATOM 1847 CD1 PHE A 116 1.541 -3.967 -3.737 1.00 0.16 C ATOM 1848 CD2 PHE A 116 1.788 -6.378 -3.670 1.00 0.27 C ATOM 1849 CE1 PHE A 116 0.806 -4.009 -2.546 1.00 0.21 C ATOM 1850 CE2 PHE A 116 1.053 -6.420 -2.479 1.00 0.33 C ATOM 1851 CZ PHE A 116 0.562 -5.236 -1.918 1.00 0.28 C ATOM 0 H PHE A 116 3.659 -5.028 -7.931 1.00 0.12 H new ATOM 0 HA PHE A 116 1.251 -5.921 -6.805 1.00 0.12 H new ATOM 0 HB2 PHE A 116 3.450 -5.995 -5.668 1.00 0.09 H new ATOM 0 HB3 PHE A 116 3.493 -4.245 -5.580 1.00 0.09 H new ATOM 0 HD1 PHE A 116 1.729 -3.021 -4.222 1.00 0.16 H new ATOM 0 HD2 PHE A 116 2.167 -7.292 -4.103 1.00 0.27 H new ATOM 0 HE1 PHE A 116 0.428 -3.095 -2.112 1.00 0.21 H new ATOM 0 HE2 PHE A 116 0.865 -7.366 -1.993 1.00 0.33 H new ATOM 0 HZ PHE A 116 -0.006 -5.269 -1.000 1.00 0.28 H new ATOM 1861 N LEU A 117 1.539 -2.620 -6.669 1.00 0.23 N ATOM 1862 CA LEU A 117 0.717 -1.384 -6.526 1.00 0.25 C ATOM 1863 C LEU A 117 -0.202 -1.243 -7.742 1.00 0.20 C ATOM 1864 O LEU A 117 -1.135 -0.465 -7.740 1.00 0.25 O ATOM 1865 CB LEU A 117 1.640 -0.165 -6.441 1.00 0.38 C ATOM 1866 CG LEU A 117 2.373 -0.158 -5.094 1.00 0.64 C ATOM 1867 CD1 LEU A 117 3.411 0.965 -5.088 1.00 0.48 C ATOM 1868 CD2 LEU A 117 1.379 0.068 -3.947 1.00 1.27 C ATOM 0 H LEU A 117 2.538 -2.464 -6.803 1.00 0.23 H new ATOM 0 HA LEU A 117 0.116 -1.448 -5.619 1.00 0.25 H new ATOM 0 HB2 LEU A 117 2.362 -0.187 -7.257 1.00 0.38 H new ATOM 0 HB3 LEU A 117 1.059 0.750 -6.554 1.00 0.38 H new ATOM 0 HG LEU A 117 2.864 -1.121 -4.955 1.00 0.64 H new ATOM 0 HD11 LEU A 117 3.934 0.972 -4.131 1.00 0.48 H new ATOM 0 HD12 LEU A 117 4.128 0.802 -5.892 1.00 0.48 H new ATOM 0 HD13 LEU A 117 2.912 1.923 -5.236 1.00 0.48 H new ATOM 0 HD21 LEU A 117 1.914 0.070 -2.997 1.00 1.27 H new ATOM 0 HD22 LEU A 117 0.878 1.026 -4.084 1.00 1.27 H new ATOM 0 HD23 LEU A 117 0.639 -0.732 -3.944 1.00 1.27 H new ATOM 1880 N GLU A 118 0.054 -1.990 -8.782 1.00 0.25 N ATOM 1881 CA GLU A 118 -0.805 -1.897 -9.995 1.00 0.21 C ATOM 1882 C GLU A 118 -2.101 -2.677 -9.765 1.00 0.12 C ATOM 1883 O GLU A 118 -3.175 -2.112 -9.708 1.00 0.16 O ATOM 1884 CB GLU A 118 -0.060 -2.488 -11.194 1.00 0.26 C ATOM 1885 CG GLU A 118 -0.718 -2.012 -12.491 1.00 0.30 C ATOM 1886 CD GLU A 118 -0.235 -2.877 -13.656 1.00 1.34 C ATOM 1887 OE1 GLU A 118 0.967 -2.941 -13.862 1.00 2.20 O ATOM 1888 OE2 GLU A 118 -1.073 -3.460 -14.323 1.00 2.30 O ATOM 0 H GLU A 118 0.821 -2.660 -8.843 1.00 0.25 H new ATOM 0 HA GLU A 118 -1.041 -0.851 -10.193 1.00 0.21 H new ATOM 0 HB2 GLU A 118 0.986 -2.183 -11.172 1.00 0.26 H new ATOM 0 HB3 GLU A 118 -0.076 -3.577 -11.144 1.00 0.26 H new ATOM 0 HG2 GLU A 118 -1.803 -2.073 -12.404 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -0.471 -0.966 -12.674 1.00 0.30 H new ATOM 1895 N ARG A 119 -2.010 -3.972 -9.631 1.00 0.06 N ATOM 1896 CA ARG A 119 -3.237 -4.786 -9.404 1.00 0.13 C ATOM 1897 C ARG A 119 -3.977 -4.261 -8.172 1.00 0.10 C ATOM 1898 O ARG A 119 -5.190 -4.281 -8.110 1.00 0.15 O ATOM 1899 CB ARG A 119 -2.845 -6.248 -9.180 1.00 0.23 C ATOM 1900 CG ARG A 119 -2.053 -6.371 -7.877 1.00 0.37 C ATOM 1901 CD ARG A 119 -1.015 -7.486 -8.014 1.00 0.25 C ATOM 1902 NE ARG A 119 -1.647 -8.678 -8.644 1.00 0.40 N ATOM 1903 CZ ARG A 119 -0.901 -9.633 -9.129 1.00 0.49 C ATOM 1904 NH1 ARG A 119 0.399 -9.542 -9.063 1.00 0.84 N ATOM 1905 NH2 ARG A 119 -1.455 -10.677 -9.681 1.00 0.60 N ATOM 0 H ARG A 119 -1.139 -4.501 -9.669 1.00 0.06 H new ATOM 0 HA ARG A 119 -3.887 -4.714 -10.276 1.00 0.13 H new ATOM 0 HB2 ARG A 119 -3.738 -6.872 -9.136 1.00 0.23 H new ATOM 0 HB3 ARG A 119 -2.246 -6.607 -10.017 1.00 0.23 H new ATOM 0 HG2 ARG A 119 -1.560 -5.426 -7.648 1.00 0.37 H new ATOM 0 HG3 ARG A 119 -2.727 -6.587 -7.048 1.00 0.37 H new ATOM 0 HD2 ARG A 119 -0.176 -7.144 -8.619 1.00 0.25 H new ATOM 0 HD3 ARG A 119 -0.616 -7.748 -7.034 1.00 0.25 H new ATOM 0 HE ARG A 119 -2.663 -8.748 -8.697 1.00 0.40 H new ATOM 0 HH11 ARG A 119 0.832 -8.725 -8.633 1.00 0.84 H new ATOM 0 HH12 ARG A 119 0.982 -10.288 -9.442 1.00 0.84 H new ATOM 0 HH21 ARG A 119 -2.471 -10.747 -9.734 1.00 0.60 H new ATOM 0 HH22 ARG A 119 -0.872 -11.423 -10.060 1.00 0.60 H new ATOM 1919 N LEU A 120 -3.256 -3.790 -7.191 1.00 0.08 N ATOM 1920 CA LEU A 120 -3.919 -3.264 -5.966 1.00 0.10 C ATOM 1921 C LEU A 120 -4.800 -2.071 -6.343 1.00 0.12 C ATOM 1922 O LEU A 120 -5.996 -2.079 -6.128 1.00 0.13 O ATOM 1923 CB LEU A 120 -2.850 -2.817 -4.962 1.00 0.12 C ATOM 1924 CG LEU A 120 -3.445 -2.765 -3.551 1.00 0.16 C ATOM 1925 CD1 LEU A 120 -2.343 -2.421 -2.547 1.00 0.18 C ATOM 1926 CD2 LEU A 120 -4.540 -1.695 -3.482 1.00 0.18 C ATOM 0 H LEU A 120 -2.237 -3.747 -7.186 1.00 0.08 H new ATOM 0 HA LEU A 120 -4.534 -4.043 -5.516 1.00 0.10 H new ATOM 0 HB2 LEU A 120 -2.007 -3.507 -4.985 1.00 0.12 H new ATOM 0 HB3 LEU A 120 -2.466 -1.835 -5.240 1.00 0.12 H new ATOM 0 HG LEU A 120 -3.876 -3.737 -3.311 1.00 0.16 H new ATOM 0 HD11 LEU A 120 -2.765 -2.384 -1.543 1.00 0.18 H new ATOM 0 HD12 LEU A 120 -1.565 -3.183 -2.586 1.00 0.18 H new ATOM 0 HD13 LEU A 120 -1.913 -1.451 -2.797 1.00 0.18 H new ATOM 0 HD21 LEU A 120 -4.957 -1.665 -2.475 1.00 0.18 H new ATOM 0 HD22 LEU A 120 -4.114 -0.722 -3.727 1.00 0.18 H new ATOM 0 HD23 LEU A 120 -5.329 -1.935 -4.195 1.00 0.18 H new ATOM 1938 N LYS A 121 -4.219 -1.047 -6.903 1.00 0.13 N ATOM 1939 CA LYS A 121 -5.024 0.145 -7.295 1.00 0.16 C ATOM 1940 C LYS A 121 -6.272 -0.311 -8.053 1.00 0.22 C ATOM 1941 O LYS A 121 -7.359 0.189 -7.836 1.00 0.25 O ATOM 1942 CB LYS A 121 -4.185 1.055 -8.194 1.00 0.15 C ATOM 1943 CG LYS A 121 -4.905 2.392 -8.381 1.00 0.20 C ATOM 1944 CD LYS A 121 -4.056 3.310 -9.263 1.00 0.44 C ATOM 1945 CE LYS A 121 -4.744 3.497 -10.616 1.00 0.99 C ATOM 1946 NZ LYS A 121 -3.846 4.260 -11.529 1.00 0.98 N ATOM 0 H LYS A 121 -3.222 -0.983 -7.107 1.00 0.13 H new ATOM 0 HA LYS A 121 -5.321 0.693 -6.401 1.00 0.16 H new ATOM 0 HB2 LYS A 121 -3.203 1.218 -7.750 1.00 0.15 H new ATOM 0 HB3 LYS A 121 -4.022 0.579 -9.161 1.00 0.15 H new ATOM 0 HG2 LYS A 121 -5.881 2.231 -8.839 1.00 0.20 H new ATOM 0 HG3 LYS A 121 -5.081 2.861 -7.413 1.00 0.20 H new ATOM 0 HD2 LYS A 121 -3.920 4.276 -8.776 1.00 0.44 H new ATOM 0 HD3 LYS A 121 -3.064 2.881 -9.404 1.00 0.44 H new ATOM 0 HE2 LYS A 121 -4.984 2.527 -11.051 1.00 0.99 H new ATOM 0 HE3 LYS A 121 -5.686 4.030 -10.486 1.00 0.99 H new ATOM 0 HZ1 LYS A 121 -4.314 4.387 -12.449 1.00 0.98 H new ATOM 0 HZ2 LYS A 121 -3.639 5.191 -11.114 1.00 0.98 H new ATOM 0 HZ3 LYS A 121 -2.958 3.735 -11.662 1.00 0.98 H new ATOM 1960 N THR A 122 -6.127 -1.256 -8.940 1.00 0.26 N ATOM 1961 CA THR A 122 -7.305 -1.742 -9.710 1.00 0.32 C ATOM 1962 C THR A 122 -8.307 -2.391 -8.753 1.00 0.33 C ATOM 1963 O THR A 122 -9.487 -2.102 -8.786 1.00 0.38 O ATOM 1964 CB THR A 122 -6.848 -2.773 -10.746 1.00 0.33 C ATOM 1965 OG1 THR A 122 -5.620 -2.350 -11.322 1.00 0.33 O ATOM 1966 CG2 THR A 122 -7.908 -2.904 -11.840 1.00 0.33 C ATOM 0 H THR A 122 -5.243 -1.713 -9.165 1.00 0.26 H new ATOM 0 HA THR A 122 -7.779 -0.902 -10.218 1.00 0.32 H new ATOM 0 HB THR A 122 -6.709 -3.739 -10.261 1.00 0.33 H new ATOM 0 HG1 THR A 122 -5.325 -3.009 -11.984 1.00 0.33 H new ATOM 0 HG21 THR A 122 -7.582 -3.638 -12.577 1.00 0.33 H new ATOM 0 HG22 THR A 122 -8.850 -3.228 -11.397 1.00 0.33 H new ATOM 0 HG23 THR A 122 -8.049 -1.939 -12.327 1.00 0.33 H new ATOM 1974 N ILE A 123 -7.848 -3.265 -7.901 1.00 0.30 N ATOM 1975 CA ILE A 123 -8.775 -3.930 -6.943 1.00 0.32 C ATOM 1976 C ILE A 123 -9.641 -2.872 -6.256 1.00 0.31 C ATOM 1977 O ILE A 123 -10.837 -3.031 -6.115 1.00 0.32 O ATOM 1978 CB ILE A 123 -7.964 -4.688 -5.890 1.00 0.34 C ATOM 1979 CG1 ILE A 123 -7.468 -6.008 -6.484 1.00 0.39 C ATOM 1980 CG2 ILE A 123 -8.847 -4.977 -4.675 1.00 0.40 C ATOM 1981 CD1 ILE A 123 -6.407 -6.616 -5.563 1.00 0.43 C ATOM 0 H ILE A 123 -6.871 -3.548 -7.827 1.00 0.30 H new ATOM 0 HA ILE A 123 -9.414 -4.630 -7.481 1.00 0.32 H new ATOM 0 HB ILE A 123 -7.111 -4.082 -5.583 1.00 0.34 H new ATOM 0 HG12 ILE A 123 -8.301 -6.701 -6.604 1.00 0.39 H new ATOM 0 HG13 ILE A 123 -7.049 -5.838 -7.476 1.00 0.39 H new ATOM 0 HG21 ILE A 123 -8.269 -5.517 -3.925 1.00 0.40 H new ATOM 0 HG22 ILE A 123 -9.202 -4.037 -4.252 1.00 0.40 H new ATOM 0 HG23 ILE A 123 -9.700 -5.583 -4.981 1.00 0.40 H new ATOM 0 HD11 ILE A 123 -6.054 -7.556 -5.986 1.00 0.43 H new ATOM 0 HD12 ILE A 123 -5.570 -5.925 -5.466 1.00 0.43 H new ATOM 0 HD13 ILE A 123 -6.841 -6.801 -4.580 1.00 0.43 H new ATOM 1993 N MET A 124 -9.046 -1.792 -5.827 1.00 0.30 N ATOM 1994 CA MET A 124 -9.836 -0.726 -5.150 1.00 0.30 C ATOM 1995 C MET A 124 -10.934 -0.231 -6.094 1.00 0.26 C ATOM 1996 O MET A 124 -12.092 -0.161 -5.732 1.00 0.28 O ATOM 1997 CB MET A 124 -8.913 0.439 -4.786 1.00 0.33 C ATOM 1998 CG MET A 124 -7.794 -0.064 -3.872 1.00 0.19 C ATOM 1999 SD MET A 124 -7.373 1.223 -2.670 1.00 1.23 S ATOM 2000 CE MET A 124 -8.568 0.744 -1.398 1.00 0.80 C ATOM 0 H MET A 124 -8.048 -1.603 -5.916 1.00 0.30 H new ATOM 0 HA MET A 124 -10.289 -1.128 -4.243 1.00 0.30 H new ATOM 0 HB2 MET A 124 -8.490 0.878 -5.690 1.00 0.33 H new ATOM 0 HB3 MET A 124 -9.480 1.224 -4.286 1.00 0.33 H new ATOM 0 HG2 MET A 124 -8.111 -0.970 -3.355 1.00 0.19 H new ATOM 0 HG3 MET A 124 -6.917 -0.325 -4.463 1.00 0.19 H new ATOM 0 HE1 MET A 124 -8.482 1.418 -0.546 1.00 0.80 H new ATOM 0 HE2 MET A 124 -9.577 0.802 -1.806 1.00 0.80 H new ATOM 0 HE3 MET A 124 -8.366 -0.277 -1.075 1.00 0.80 H new ATOM 2010 N ARG A 125 -10.580 0.115 -7.301 1.00 0.26 N ATOM 2011 CA ARG A 125 -11.604 0.605 -8.266 1.00 0.25 C ATOM 2012 C ARG A 125 -12.708 -0.444 -8.415 1.00 0.30 C ATOM 2013 O ARG A 125 -13.832 -0.133 -8.756 1.00 0.28 O ATOM 2014 CB ARG A 125 -10.947 0.849 -9.627 1.00 0.33 C ATOM 2015 CG ARG A 125 -9.848 1.904 -9.481 1.00 0.93 C ATOM 2016 CD ARG A 125 -10.372 3.257 -9.961 1.00 0.58 C ATOM 2017 NE ARG A 125 -10.762 3.159 -11.396 1.00 0.99 N ATOM 2018 CZ ARG A 125 -11.504 4.088 -11.936 1.00 1.95 C ATOM 2019 NH1 ARG A 125 -11.904 5.102 -11.219 1.00 2.81 N ATOM 2020 NH2 ARG A 125 -11.845 4.001 -13.193 1.00 2.58 N ATOM 0 H ARG A 125 -9.626 0.080 -7.661 1.00 0.26 H new ATOM 0 HA ARG A 125 -12.034 1.536 -7.897 1.00 0.25 H new ATOM 0 HB2 ARG A 125 -10.525 -0.080 -10.011 1.00 0.33 H new ATOM 0 HB3 ARG A 125 -11.693 1.183 -10.348 1.00 0.33 H new ATOM 0 HG2 ARG A 125 -9.532 1.973 -8.440 1.00 0.93 H new ATOM 0 HG3 ARG A 125 -8.972 1.615 -10.062 1.00 0.93 H new ATOM 0 HD2 ARG A 125 -11.229 3.561 -9.360 1.00 0.58 H new ATOM 0 HD3 ARG A 125 -9.606 4.022 -9.833 1.00 0.58 H new ATOM 0 HE ARG A 125 -10.449 2.366 -11.956 1.00 0.99 H new ATOM 0 HH11 ARG A 125 -11.637 5.169 -10.237 1.00 2.81 H new ATOM 0 HH12 ARG A 125 -12.484 5.828 -11.641 1.00 2.81 H new ATOM 0 HH21 ARG A 125 -11.532 3.208 -13.753 1.00 2.58 H new ATOM 0 HH22 ARG A 125 -12.425 4.726 -13.616 1.00 2.58 H new ATOM 2034 N GLU A 126 -12.398 -1.686 -8.160 1.00 0.38 N ATOM 2035 CA GLU A 126 -13.430 -2.754 -8.286 1.00 0.45 C ATOM 2036 C GLU A 126 -14.400 -2.666 -7.106 1.00 0.44 C ATOM 2037 O GLU A 126 -15.602 -2.628 -7.280 1.00 0.44 O ATOM 2038 CB GLU A 126 -12.748 -4.123 -8.286 1.00 0.56 C ATOM 2039 CG GLU A 126 -13.554 -5.094 -9.151 1.00 0.67 C ATOM 2040 CD GLU A 126 -13.282 -6.530 -8.697 1.00 1.15 C ATOM 2041 OE1 GLU A 126 -13.393 -6.786 -7.510 1.00 2.10 O ATOM 2042 OE2 GLU A 126 -12.966 -7.348 -9.546 1.00 1.27 O ATOM 0 H GLU A 126 -11.474 -2.007 -7.870 1.00 0.38 H new ATOM 0 HA GLU A 126 -13.979 -2.622 -9.218 1.00 0.45 H new ATOM 0 HB2 GLU A 126 -11.732 -4.035 -8.670 1.00 0.56 H new ATOM 0 HB3 GLU A 126 -12.672 -4.503 -7.267 1.00 0.56 H new ATOM 0 HG2 GLU A 126 -14.618 -4.872 -9.071 1.00 0.67 H new ATOM 0 HG3 GLU A 126 -13.282 -4.975 -10.200 1.00 0.67 H new ATOM 2049 N LYS A 127 -13.888 -2.635 -5.906 1.00 0.44 N ATOM 2050 CA LYS A 127 -14.783 -2.550 -4.716 1.00 0.48 C ATOM 2051 C LYS A 127 -15.294 -1.116 -4.564 1.00 0.41 C ATOM 2052 O LYS A 127 -16.237 -0.856 -3.843 1.00 0.47 O ATOM 2053 CB LYS A 127 -14.002 -2.950 -3.463 1.00 0.57 C ATOM 2054 CG LYS A 127 -13.095 -4.140 -3.782 1.00 0.61 C ATOM 2055 CD LYS A 127 -12.508 -4.699 -2.484 1.00 0.90 C ATOM 2056 CE LYS A 127 -11.719 -5.973 -2.788 1.00 0.53 C ATOM 2057 NZ LYS A 127 -10.314 -5.811 -2.318 1.00 2.09 N ATOM 0 H LYS A 127 -12.890 -2.665 -5.698 1.00 0.44 H new ATOM 0 HA LYS A 127 -15.629 -3.224 -4.847 1.00 0.48 H new ATOM 0 HB2 LYS A 127 -13.405 -2.109 -3.110 1.00 0.57 H new ATOM 0 HB3 LYS A 127 -14.692 -3.210 -2.660 1.00 0.57 H new ATOM 0 HG2 LYS A 127 -13.662 -4.914 -4.300 1.00 0.61 H new ATOM 0 HG3 LYS A 127 -12.293 -3.830 -4.452 1.00 0.61 H new ATOM 0 HD2 LYS A 127 -11.858 -3.959 -2.018 1.00 0.90 H new ATOM 0 HD3 LYS A 127 -13.307 -4.914 -1.774 1.00 0.90 H new ATOM 0 HE2 LYS A 127 -12.183 -6.827 -2.295 1.00 0.53 H new ATOM 0 HE3 LYS A 127 -11.734 -6.176 -3.859 1.00 0.53 H new ATOM 0 HZ1 LYS A 127 -9.704 -6.498 -2.805 1.00 2.09 H new ATOM 0 HZ2 LYS A 127 -9.986 -4.847 -2.529 1.00 2.09 H new ATOM 0 HZ3 LYS A 127 -10.270 -5.975 -1.292 1.00 2.09 H new ATOM 2071 N TYR A 128 -14.679 -0.182 -5.237 1.00 0.32 N ATOM 2072 CA TYR A 128 -15.131 1.234 -5.130 1.00 0.27 C ATOM 2073 C TYR A 128 -16.529 1.370 -5.736 1.00 0.25 C ATOM 2074 O TYR A 128 -17.062 2.456 -5.853 1.00 0.28 O ATOM 2075 CB TYR A 128 -14.155 2.138 -5.885 1.00 0.18 C ATOM 2076 CG TYR A 128 -14.500 3.584 -5.620 1.00 0.22 C ATOM 2077 CD1 TYR A 128 -14.054 4.207 -4.449 1.00 0.32 C ATOM 2078 CD2 TYR A 128 -15.269 4.302 -6.545 1.00 0.22 C ATOM 2079 CE1 TYR A 128 -14.374 5.547 -4.202 1.00 0.41 C ATOM 2080 CE2 TYR A 128 -15.589 5.642 -6.299 1.00 0.29 C ATOM 2081 CZ TYR A 128 -15.141 6.265 -5.127 1.00 0.39 C ATOM 2082 OH TYR A 128 -15.457 7.587 -4.885 1.00 0.48 O ATOM 0 H TYR A 128 -13.883 -0.338 -5.856 1.00 0.32 H new ATOM 0 HA TYR A 128 -15.161 1.529 -4.081 1.00 0.27 H new ATOM 0 HB2 TYR A 128 -13.133 1.933 -5.567 1.00 0.18 H new ATOM 0 HB3 TYR A 128 -14.204 1.931 -6.954 1.00 0.18 H new ATOM 0 HD1 TYR A 128 -13.462 3.653 -3.735 1.00 0.32 H new ATOM 0 HD2 TYR A 128 -15.615 3.821 -7.448 1.00 0.22 H new ATOM 0 HE1 TYR A 128 -14.029 6.027 -3.298 1.00 0.41 H new ATOM 0 HE2 TYR A 128 -16.181 6.196 -7.013 1.00 0.29 H new ATOM 0 HH TYR A 128 -15.993 7.936 -5.627 1.00 0.48 H new ATOM 2092 N SER A 129 -17.126 0.278 -6.124 1.00 0.24 N ATOM 2093 CA SER A 129 -18.489 0.347 -6.723 1.00 0.22 C ATOM 2094 C SER A 129 -19.528 0.507 -5.611 1.00 0.27 C ATOM 2095 O SER A 129 -19.795 -0.411 -4.861 1.00 0.44 O ATOM 2096 CB SER A 129 -18.770 -0.940 -7.501 1.00 0.17 C ATOM 2097 OG SER A 129 -19.870 -0.728 -8.376 1.00 1.43 O ATOM 0 H SER A 129 -16.730 -0.659 -6.053 1.00 0.24 H new ATOM 0 HA SER A 129 -18.546 1.200 -7.399 1.00 0.22 H new ATOM 0 HB2 SER A 129 -17.889 -1.234 -8.071 1.00 0.17 H new ATOM 0 HB3 SER A 129 -18.991 -1.755 -6.811 1.00 0.17 H new ATOM 0 HG SER A 129 -20.052 -1.550 -8.878 1.00 1.43 H new ATOM 2103 N LYS A 130 -20.116 1.667 -5.499 1.00 0.49 N ATOM 2104 CA LYS A 130 -21.136 1.884 -4.435 1.00 0.52 C ATOM 2105 C LYS A 130 -22.053 3.041 -4.837 1.00 0.56 C ATOM 2106 O LYS A 130 -22.943 2.886 -5.650 1.00 0.67 O ATOM 2107 CB LYS A 130 -20.436 2.224 -3.117 1.00 0.47 C ATOM 2108 CG LYS A 130 -19.208 3.091 -3.401 1.00 0.08 C ATOM 2109 CD LYS A 130 -19.008 4.084 -2.253 1.00 0.83 C ATOM 2110 CE LYS A 130 -17.750 4.915 -2.511 1.00 0.37 C ATOM 2111 NZ LYS A 130 -16.671 4.486 -1.579 1.00 0.29 N ATOM 0 H LYS A 130 -19.934 2.473 -6.098 1.00 0.49 H new ATOM 0 HA LYS A 130 -21.727 0.977 -4.309 1.00 0.52 H new ATOM 0 HB2 LYS A 130 -21.122 2.752 -2.454 1.00 0.47 H new ATOM 0 HB3 LYS A 130 -20.138 1.309 -2.605 1.00 0.47 H new ATOM 0 HG2 LYS A 130 -18.324 2.463 -3.511 1.00 0.08 H new ATOM 0 HG3 LYS A 130 -19.337 3.627 -4.341 1.00 0.08 H new ATOM 0 HD2 LYS A 130 -19.877 4.737 -2.167 1.00 0.83 H new ATOM 0 HD3 LYS A 130 -18.916 3.550 -1.307 1.00 0.83 H new ATOM 0 HE2 LYS A 130 -17.424 4.790 -3.544 1.00 0.37 H new ATOM 0 HE3 LYS A 130 -17.966 5.974 -2.371 1.00 0.37 H new ATOM 0 HZ1 LYS A 130 -15.892 5.174 -1.609 1.00 0.29 H new ATOM 0 HZ2 LYS A 130 -17.049 4.433 -0.611 1.00 0.29 H new ATOM 0 HZ3 LYS A 130 -16.318 3.550 -1.864 1.00 0.29 H new ATOM 2125 N CYS A 131 -21.845 4.199 -4.275 1.00 0.72 N ATOM 2126 CA CYS A 131 -22.706 5.364 -4.626 1.00 0.83 C ATOM 2127 C CYS A 131 -22.205 5.993 -5.927 1.00 0.85 C ATOM 2128 O CYS A 131 -22.872 6.812 -6.528 1.00 0.96 O ATOM 2129 CB CYS A 131 -22.645 6.400 -3.501 1.00 0.99 C ATOM 2130 SG CYS A 131 -21.107 7.345 -3.635 1.00 1.68 S ATOM 0 H CYS A 131 -21.116 4.390 -3.588 1.00 0.72 H new ATOM 0 HA CYS A 131 -23.735 5.030 -4.757 1.00 0.83 H new ATOM 0 HB2 CYS A 131 -23.503 7.070 -3.562 1.00 0.99 H new ATOM 0 HB3 CYS A 131 -22.696 5.904 -2.532 1.00 0.99 H new ATOM 2135 N SER A 132 -21.036 5.617 -6.368 1.00 0.77 N ATOM 2136 CA SER A 132 -20.495 6.195 -7.631 1.00 0.83 C ATOM 2137 C SER A 132 -21.051 5.418 -8.826 1.00 1.01 C ATOM 2138 O SER A 132 -20.368 5.194 -9.805 1.00 1.58 O ATOM 2139 CB SER A 132 -18.969 6.095 -7.624 1.00 1.02 C ATOM 2140 OG SER A 132 -18.445 6.995 -6.657 1.00 0.87 O ATOM 0 H SER A 132 -20.432 4.935 -5.909 1.00 0.77 H new ATOM 0 HA SER A 132 -20.791 7.241 -7.708 1.00 0.83 H new ATOM 0 HB2 SER A 132 -18.661 5.075 -7.394 1.00 1.02 H new ATOM 0 HB3 SER A 132 -18.573 6.332 -8.611 1.00 1.02 H new ATOM 0 HG SER A 132 -17.622 6.623 -6.276 1.00 0.87 H new ATOM 2146 N SER A 133 -22.287 5.005 -8.754 1.00 1.10 N ATOM 2147 CA SER A 133 -22.885 4.243 -9.887 1.00 1.64 C ATOM 2148 C SER A 133 -23.574 5.214 -10.848 1.00 2.52 C ATOM 2149 O SER A 133 -23.462 5.012 -12.045 1.00 2.54 O ATOM 2150 CB SER A 133 -23.912 3.248 -9.345 1.00 1.86 C ATOM 2151 OG SER A 133 -23.472 2.756 -8.086 1.00 2.14 O ATOM 2152 OXT SER A 133 -24.202 6.145 -10.369 1.00 3.57 O ATOM 0 H SER A 133 -22.908 5.162 -7.960 1.00 1.10 H new ATOM 0 HA SER A 133 -22.100 3.704 -10.417 1.00 1.64 H new ATOM 0 HB2 SER A 133 -24.883 3.732 -9.240 1.00 1.86 H new ATOM 0 HB3 SER A 133 -24.041 2.423 -10.046 1.00 1.86 H new ATOM 0 HG SER A 133 -23.661 3.421 -7.391 1.00 2.14 H new TER 2158 SER A 133