USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 716 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: B 12 HIS :FLIP no HD1:sc= -3.98 F(o=-14!,f=-12) USER MOD Set 1.2: B 13 HIS : no HD1:sc= -8.08! C(o=-12!,f=-15!) USER MOD Set 2.1: A 12 HIS :FLIP no HD1:sc= -4.02 F(o=-14!,f=-12) USER MOD Set 2.2: A 13 HIS : no HD1:sc= -8.17! C(o=-12!,f=-15!) USER MOD Single : A 1 ALA N :NH3+ -133:sc= 0.061 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -1.1 F(o=-3.3!,f=-1.1) USER MOD Single : A 6 HIS : no HD1:sc= -0.769 X(o=-0.77,f=-0.79) USER MOD Single : A 8 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -2.63 K(o=-2.6,f=-3.7!) USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= -1.85! (180deg=-2.75!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.209 K(o=-0.21,f=-0.97) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -126:sc= 0.0825 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -1.09 F(o=-3.3!,f=-1.1) USER MOD Single : B 6 HIS : no HD1:sc= -0.738 X(o=-0.74,f=-0.78) USER MOD Single : B 8 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.7!) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -3.32 K(o=-3.3,f=-4.3!) USER MOD Single : B 28 LYS NZ :NH3+ 151:sc= -1.9! (180deg=-2.8!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.81) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -30.543 -10.207 4.700 1.00 0.00 N ATOM 2 CA ALA A 1 -31.043 -9.008 3.980 1.00 0.00 C ATOM 3 C ALA A 1 -30.752 -9.106 2.486 1.00 0.00 C ATOM 4 O ALA A 1 -30.491 -10.190 1.965 1.00 0.00 O ATOM 5 CB ALA A 1 -30.418 -7.748 4.558 1.00 0.00 C ATOM 0 H1 ALA A 1 -31.281 -10.558 5.344 1.00 0.00 H new ATOM 0 H2 ALA A 1 -30.301 -10.949 4.013 1.00 0.00 H new ATOM 0 H3 ALA A 1 -29.696 -9.954 5.249 1.00 0.00 H new ATOM 0 HA ALA A 1 -32.124 -8.959 4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -30.793 -6.877 4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -30.678 -7.664 5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -29.334 -7.799 4.455 1.00 0.00 H new ATOM 13 N LEU A 2 -30.798 -7.968 1.803 1.00 0.00 N ATOM 14 CA LEU A 2 -30.540 -7.925 0.370 1.00 0.00 C ATOM 15 C LEU A 2 -29.365 -7.005 0.055 1.00 0.00 C ATOM 16 O LEU A 2 -28.523 -7.321 -0.786 1.00 0.00 O ATOM 17 CB LEU A 2 -31.787 -7.456 -0.381 1.00 0.00 C ATOM 18 CG LEU A 2 -32.058 -8.176 -1.703 1.00 0.00 C ATOM 19 CD1 LEU A 2 -30.801 -8.211 -2.558 1.00 0.00 C ATOM 20 CD2 LEU A 2 -32.569 -9.584 -1.444 1.00 0.00 C ATOM 0 H LEU A 2 -31.012 -7.062 2.220 1.00 0.00 H new ATOM 0 HA LEU A 2 -30.286 -8.933 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -32.653 -7.584 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -31.692 -6.388 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 2 -32.826 -7.626 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -31.012 -8.727 -3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -30.477 -7.192 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -30.012 -8.739 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -32.757 -10.083 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -31.822 -10.144 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -33.494 -9.535 -0.870 1.00 0.00 H new ATOM 32 N LYS A 3 -29.313 -5.865 0.737 1.00 0.00 N ATOM 33 CA LYS A 3 -28.241 -4.899 0.531 1.00 0.00 C ATOM 34 C LYS A 3 -27.428 -4.707 1.807 1.00 0.00 C ATOM 35 O LYS A 3 -26.834 -3.651 2.024 1.00 0.00 O ATOM 36 CB LYS A 3 -28.816 -3.557 0.073 1.00 0.00 C ATOM 37 CG LYS A 3 -29.337 -3.575 -1.355 1.00 0.00 C ATOM 38 CD LYS A 3 -30.838 -3.805 -1.395 1.00 0.00 C ATOM 39 CE LYS A 3 -31.498 -2.997 -2.500 1.00 0.00 C ATOM 40 NZ LYS A 3 -32.192 -3.868 -3.487 1.00 0.00 N ATOM 0 H LYS A 3 -30.001 -5.588 1.437 1.00 0.00 H new ATOM 0 HA LYS A 3 -27.581 -5.288 -0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -29.626 -3.270 0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -28.045 -2.792 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -29.099 -2.630 -1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -28.832 -4.360 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -31.040 -4.865 -1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -31.274 -3.533 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -32.215 -2.302 -2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -30.744 -2.398 -3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -32.629 -3.278 -4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.504 -4.514 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -32.929 -4.421 -3.004 1.00 0.00 H new ATOM 54 N LYS A 4 -27.407 -5.736 2.649 1.00 0.00 N ATOM 55 CA LYS A 4 -26.667 -5.681 3.904 1.00 0.00 C ATOM 56 C LYS A 4 -25.234 -6.167 3.714 1.00 0.00 C ATOM 57 O LYS A 4 -24.305 -5.651 4.333 1.00 0.00 O ATOM 58 CB LYS A 4 -27.367 -6.523 4.972 1.00 0.00 C ATOM 59 CG LYS A 4 -27.248 -8.021 4.741 1.00 0.00 C ATOM 60 CD LYS A 4 -26.055 -8.605 5.480 1.00 0.00 C ATOM 61 CE LYS A 4 -26.072 -10.125 5.456 1.00 0.00 C ATOM 62 NZ LYS A 4 -24.800 -10.703 5.970 1.00 0.00 N ATOM 0 H LYS A 4 -27.894 -6.617 2.485 1.00 0.00 H new ATOM 0 HA LYS A 4 -26.638 -4.642 4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -26.946 -6.280 5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -28.422 -6.251 5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -28.161 -8.515 5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -27.149 -8.219 3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -25.132 -8.244 5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -26.060 -8.257 6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -26.905 -10.488 6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -26.241 -10.470 4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -24.852 -11.741 5.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -24.007 -10.377 5.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -24.651 -10.395 6.952 1.00 0.00 H new ATOM 76 N HIS A 5 -25.063 -7.163 2.850 1.00 0.00 N ATOM 77 CA HIS A 5 -23.743 -7.718 2.576 1.00 0.00 C ATOM 78 C HIS A 5 -22.801 -6.641 2.047 1.00 0.00 C ATOM 79 O HIS A 5 -21.583 -6.743 2.188 1.00 0.00 O ATOM 80 CB HIS A 5 -23.846 -8.863 1.568 1.00 0.00 C ATOM 81 CG HIS A 5 -24.677 -8.531 0.367 1.00 0.00 C ATOM 82 ND1 HIS A 5 -24.583 -7.513 -0.522 1.00 0.00 N flip ATOM 83 CD2 HIS A 5 -25.754 -9.291 -0.037 1.00 0.00 C flip ATOM 84 CE1 HIS A 5 -25.595 -7.677 -1.434 1.00 0.00 C flip ATOM 85 NE2 HIS A 5 -26.287 -8.756 -1.120 1.00 0.00 N flip ATOM 0 H HIS A 5 -25.822 -7.602 2.328 1.00 0.00 H new ATOM 0 HA HIS A 5 -23.337 -8.104 3.511 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -22.844 -9.139 1.241 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -24.271 -9.736 2.064 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -26.107 -10.185 0.456 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -25.793 -7.028 -2.274 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -27.096 -9.115 -1.627 1.00 0.00 H new ATOM 94 N HIS A 6 -23.376 -5.609 1.437 1.00 0.00 N ATOM 95 CA HIS A 6 -22.587 -4.512 0.887 1.00 0.00 C ATOM 96 C HIS A 6 -21.803 -3.804 1.985 1.00 0.00 C ATOM 97 O HIS A 6 -20.653 -3.415 1.785 1.00 0.00 O ATOM 98 CB HIS A 6 -23.495 -3.515 0.165 1.00 0.00 C ATOM 99 CG HIS A 6 -23.151 -3.330 -1.280 1.00 0.00 C ATOM 100 ND1 HIS A 6 -22.541 -4.306 -2.040 1.00 0.00 N ATOM 101 CD2 HIS A 6 -23.336 -2.273 -2.108 1.00 0.00 C ATOM 102 CE1 HIS A 6 -22.365 -3.857 -3.271 1.00 0.00 C ATOM 103 NE2 HIS A 6 -22.839 -2.628 -3.336 1.00 0.00 N ATOM 0 H HIS A 6 -24.383 -5.509 1.311 1.00 0.00 H new ATOM 0 HA HIS A 6 -21.878 -4.929 0.172 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -24.528 -3.854 0.244 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.437 -2.551 0.670 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -23.790 -1.328 -1.849 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -21.911 -4.403 -4.084 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -22.836 -2.036 -4.167 1.00 0.00 H new ATOM 112 N GLU A 7 -22.430 -3.643 3.146 1.00 0.00 N ATOM 113 CA GLU A 7 -21.786 -2.986 4.277 1.00 0.00 C ATOM 114 C GLU A 7 -20.569 -3.780 4.739 1.00 0.00 C ATOM 115 O GLU A 7 -19.630 -3.222 5.306 1.00 0.00 O ATOM 116 CB GLU A 7 -22.775 -2.823 5.432 1.00 0.00 C ATOM 117 CG GLU A 7 -23.379 -1.432 5.526 1.00 0.00 C ATOM 118 CD GLU A 7 -22.740 -0.590 6.613 1.00 0.00 C ATOM 119 OE1 GLU A 7 -21.818 -1.093 7.287 1.00 0.00 O ATOM 120 OE2 GLU A 7 -23.163 0.572 6.790 1.00 0.00 O ATOM 0 H GLU A 7 -23.383 -3.958 3.328 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.455 -1.999 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -23.578 -3.551 5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.267 -3.053 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -23.267 -0.926 4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -24.448 -1.517 5.719 1.00 0.00 H new ATOM 127 N ASN A 8 -20.592 -5.084 4.486 1.00 0.00 N ATOM 128 CA ASN A 8 -19.488 -5.956 4.870 1.00 0.00 C ATOM 129 C ASN A 8 -18.281 -5.712 3.972 1.00 0.00 C ATOM 130 O ASN A 8 -17.195 -5.386 4.450 1.00 0.00 O ATOM 131 CB ASN A 8 -19.912 -7.423 4.792 1.00 0.00 C ATOM 132 CG ASN A 8 -19.342 -8.251 5.927 1.00 0.00 C ATOM 133 OD1 ASN A 8 -18.451 -7.804 6.649 1.00 0.00 O ATOM 134 ND2 ASN A 8 -19.854 -9.466 6.089 1.00 0.00 N ATOM 0 H ASN A 8 -21.362 -5.560 4.017 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.212 -5.727 5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -21.000 -7.485 4.811 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -19.586 -7.843 3.840 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -19.509 -10.069 6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -20.592 -9.796 5.467 1.00 0.00 H new ATOM 141 N GLU A 9 -18.484 -5.858 2.667 1.00 0.00 N ATOM 142 CA GLU A 9 -17.414 -5.639 1.701 1.00 0.00 C ATOM 143 C GLU A 9 -16.928 -4.192 1.759 1.00 0.00 C ATOM 144 O GLU A 9 -15.814 -3.884 1.336 1.00 0.00 O ATOM 145 CB GLU A 9 -17.897 -5.971 0.288 1.00 0.00 C ATOM 146 CG GLU A 9 -17.049 -7.018 -0.414 1.00 0.00 C ATOM 147 CD GLU A 9 -16.718 -6.637 -1.844 1.00 0.00 C ATOM 148 OE1 GLU A 9 -17.488 -5.859 -2.445 1.00 0.00 O ATOM 149 OE2 GLU A 9 -15.686 -7.115 -2.362 1.00 0.00 O ATOM 0 H GLU A 9 -19.378 -6.126 2.255 1.00 0.00 H new ATOM 0 HA GLU A 9 -16.583 -6.298 1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -18.927 -6.324 0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -17.902 -5.059 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.123 -7.164 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -17.577 -7.971 -0.409 1.00 0.00 H new ATOM 156 N ILE A 10 -17.774 -3.309 2.285 1.00 0.00 N ATOM 157 CA ILE A 10 -17.439 -1.899 2.400 1.00 0.00 C ATOM 158 C ILE A 10 -16.454 -1.676 3.552 1.00 0.00 C ATOM 159 O ILE A 10 -15.458 -0.968 3.403 1.00 0.00 O ATOM 160 CB ILE A 10 -18.743 -1.043 2.554 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.969 -0.215 1.291 1.00 0.00 C ATOM 162 CG2 ILE A 10 -18.751 -0.134 3.786 1.00 0.00 C ATOM 163 CD1 ILE A 10 -20.417 -0.166 0.853 1.00 0.00 C ATOM 0 H ILE A 10 -18.700 -3.551 2.639 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.943 -1.570 1.487 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.558 -1.752 2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -18.615 0.801 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.367 -0.629 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.687 0.424 3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.657 -0.741 4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.915 0.563 3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.504 0.439 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.769 -1.177 0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -21.022 0.275 1.645 1.00 0.00 H new ATOM 175 N SER A 11 -16.741 -2.288 4.697 1.00 0.00 N ATOM 176 CA SER A 11 -15.881 -2.157 5.865 1.00 0.00 C ATOM 177 C SER A 11 -14.543 -2.849 5.630 1.00 0.00 C ATOM 178 O SER A 11 -13.532 -2.491 6.236 1.00 0.00 O ATOM 179 CB SER A 11 -16.565 -2.749 7.099 1.00 0.00 C ATOM 180 OG SER A 11 -16.189 -2.055 8.276 1.00 0.00 O ATOM 0 H SER A 11 -17.561 -2.878 4.839 1.00 0.00 H new ATOM 0 HA SER A 11 -15.699 -1.096 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.647 -2.702 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.301 -3.802 7.194 1.00 0.00 H new ATOM 0 HG SER A 11 -16.641 -2.453 9.049 1.00 0.00 H new ATOM 186 N HIS A 12 -14.542 -3.839 4.742 1.00 0.00 N ATOM 187 CA HIS A 12 -13.328 -4.577 4.428 1.00 0.00 C ATOM 188 C HIS A 12 -12.415 -3.738 3.527 1.00 0.00 C ATOM 189 O HIS A 12 -11.212 -3.643 3.771 1.00 0.00 O ATOM 190 CB HIS A 12 -13.699 -5.943 3.801 1.00 0.00 C ATOM 191 CG HIS A 12 -12.995 -6.294 2.519 1.00 0.00 C ATOM 192 ND1 HIS A 12 -13.449 -6.328 1.245 1.00 0.00 N flip ATOM 193 CD2 HIS A 12 -11.669 -6.667 2.462 1.00 0.00 C flip ATOM 194 CE1 HIS A 12 -12.400 -6.716 0.451 1.00 0.00 C flip ATOM 195 NE2 HIS A 12 -11.337 -6.914 1.207 1.00 0.00 N flip ATOM 0 H HIS A 12 -15.368 -4.147 4.229 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.767 -4.779 5.340 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.491 -6.724 4.532 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.773 -5.956 3.618 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -11.005 -6.745 3.310 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.438 -6.840 -0.621 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.417 -7.207 0.879 1.00 0.00 H new ATOM 204 N HIS A 13 -12.992 -3.123 2.497 1.00 0.00 N ATOM 205 CA HIS A 13 -12.212 -2.290 1.590 1.00 0.00 C ATOM 206 C HIS A 13 -11.616 -1.110 2.344 1.00 0.00 C ATOM 207 O HIS A 13 -10.538 -0.625 2.006 1.00 0.00 O ATOM 208 CB HIS A 13 -13.072 -1.776 0.436 1.00 0.00 C ATOM 209 CG HIS A 13 -13.804 -2.844 -0.308 1.00 0.00 C ATOM 210 ND1 HIS A 13 -13.337 -4.134 -0.444 1.00 0.00 N ATOM 211 CD2 HIS A 13 -14.983 -2.798 -0.965 1.00 0.00 C ATOM 212 CE1 HIS A 13 -14.199 -4.837 -1.157 1.00 0.00 C ATOM 213 NE2 HIS A 13 -15.207 -4.050 -1.484 1.00 0.00 N ATOM 0 H HIS A 13 -13.985 -3.185 2.273 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.410 -2.903 1.178 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.796 -1.061 0.828 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.435 -1.234 -0.263 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.629 -1.938 -1.064 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.096 -5.878 -1.426 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.021 -4.327 -2.033 1.00 0.00 H new ATOM 222 N ALA A 14 -12.329 -0.653 3.371 1.00 0.00 N ATOM 223 CA ALA A 14 -11.870 0.468 4.179 1.00 0.00 C ATOM 224 C ALA A 14 -10.598 0.098 4.926 1.00 0.00 C ATOM 225 O ALA A 14 -9.576 0.776 4.811 1.00 0.00 O ATOM 226 CB ALA A 14 -12.955 0.899 5.155 1.00 0.00 C ATOM 0 H ALA A 14 -13.226 -1.043 3.661 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.650 1.305 3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.596 1.738 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.843 1.202 4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.204 0.066 5.813 1.00 0.00 H new ATOM 232 N LYS A 15 -10.661 -0.994 5.681 1.00 0.00 N ATOM 233 CA LYS A 15 -9.507 -1.465 6.432 1.00 0.00 C ATOM 234 C LYS A 15 -8.404 -1.938 5.486 1.00 0.00 C ATOM 235 O LYS A 15 -7.252 -2.094 5.891 1.00 0.00 O ATOM 236 CB LYS A 15 -9.912 -2.601 7.373 1.00 0.00 C ATOM 237 CG LYS A 15 -10.679 -2.132 8.599 1.00 0.00 C ATOM 238 CD LYS A 15 -10.778 -3.228 9.647 1.00 0.00 C ATOM 239 CE LYS A 15 -11.446 -4.474 9.089 1.00 0.00 C ATOM 240 NZ LYS A 15 -12.598 -4.910 9.927 1.00 0.00 N ATOM 0 H LYS A 15 -11.498 -1.567 5.788 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.124 -0.634 7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.524 -3.316 6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.016 -3.131 7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.184 -1.261 9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.680 -1.817 8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.780 -3.479 10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.344 -2.863 10.504 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.790 -4.278 8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.716 -5.281 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.026 -5.762 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.266 -5.122 10.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.307 -4.150 9.965 1.00 0.00 H new ATOM 254 N GLU A 16 -8.765 -2.171 4.222 1.00 0.00 N ATOM 255 CA GLU A 16 -7.805 -2.629 3.227 1.00 0.00 C ATOM 256 C GLU A 16 -7.001 -1.466 2.658 1.00 0.00 C ATOM 257 O GLU A 16 -5.829 -1.622 2.327 1.00 0.00 O ATOM 258 CB GLU A 16 -8.524 -3.371 2.098 1.00 0.00 C ATOM 259 CG GLU A 16 -8.505 -4.882 2.253 1.00 0.00 C ATOM 260 CD GLU A 16 -7.112 -5.465 2.121 1.00 0.00 C ATOM 261 OE1 GLU A 16 -6.303 -5.290 3.056 1.00 0.00 O ATOM 262 OE2 GLU A 16 -6.830 -6.097 1.080 1.00 0.00 O ATOM 0 H GLU A 16 -9.714 -2.049 3.868 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.113 -3.311 3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.559 -3.032 2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.061 -3.106 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.915 -5.149 3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.154 -5.329 1.500 1.00 0.00 H new ATOM 269 N ILE A 17 -7.630 -0.298 2.548 1.00 0.00 N ATOM 270 CA ILE A 17 -6.950 0.879 2.021 1.00 0.00 C ATOM 271 C ILE A 17 -6.066 1.510 3.092 1.00 0.00 C ATOM 272 O ILE A 17 -4.999 2.047 2.795 1.00 0.00 O ATOM 273 CB ILE A 17 -7.958 1.925 1.493 1.00 0.00 C ATOM 274 CG1 ILE A 17 -7.236 3.204 1.053 1.00 0.00 C ATOM 275 CG2 ILE A 17 -9.005 2.235 2.553 1.00 0.00 C ATOM 276 CD1 ILE A 17 -8.173 4.345 0.715 1.00 0.00 C ATOM 0 H ILE A 17 -8.602 -0.143 2.815 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.328 0.552 1.188 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.462 1.506 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.562 3.522 1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.619 2.982 0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.707 2.973 2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.543 1.323 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.516 2.631 3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.592 5.216 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.831 4.046 -0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.772 4.595 1.590 1.00 0.00 H new ATOM 288 N GLU A 18 -6.511 1.430 4.340 1.00 0.00 N ATOM 289 CA GLU A 18 -5.754 1.983 5.455 1.00 0.00 C ATOM 290 C GLU A 18 -4.617 1.046 5.844 1.00 0.00 C ATOM 291 O GLU A 18 -3.529 1.491 6.211 1.00 0.00 O ATOM 292 CB GLU A 18 -6.671 2.223 6.656 1.00 0.00 C ATOM 293 CG GLU A 18 -7.798 3.203 6.374 1.00 0.00 C ATOM 294 CD GLU A 18 -7.539 4.575 6.966 1.00 0.00 C ATOM 295 OE1 GLU A 18 -6.655 5.289 6.446 1.00 0.00 O ATOM 296 OE2 GLU A 18 -8.219 4.935 7.949 1.00 0.00 O ATOM 0 H GLU A 18 -7.391 0.988 4.605 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.329 2.937 5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.099 1.271 6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.075 2.597 7.489 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.933 3.296 5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.729 2.807 6.779 1.00 0.00 H new ATOM 303 N ARG A 19 -4.875 -0.256 5.757 1.00 0.00 N ATOM 304 CA ARG A 19 -3.871 -1.254 6.096 1.00 0.00 C ATOM 305 C ARG A 19 -2.819 -1.355 4.999 1.00 0.00 C ATOM 306 O ARG A 19 -1.645 -1.600 5.272 1.00 0.00 O ATOM 307 CB ARG A 19 -4.528 -2.618 6.319 1.00 0.00 C ATOM 308 CG ARG A 19 -5.295 -2.718 7.627 1.00 0.00 C ATOM 309 CD ARG A 19 -4.355 -2.813 8.818 1.00 0.00 C ATOM 310 NE ARG A 19 -4.416 -4.124 9.459 1.00 0.00 N ATOM 311 CZ ARG A 19 -5.500 -4.598 10.064 1.00 0.00 C ATOM 312 NH1 ARG A 19 -6.608 -3.872 10.109 1.00 0.00 N ATOM 313 NH2 ARG A 19 -5.477 -5.799 10.625 1.00 0.00 N ATOM 0 H ARG A 19 -5.770 -0.642 5.455 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.381 -0.943 7.019 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.208 -2.824 5.492 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.759 -3.390 6.299 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.940 -1.846 7.740 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.944 -3.593 7.604 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.334 -2.616 8.491 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.611 -2.042 9.545 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.580 -4.708 9.441 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.630 -2.947 9.679 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.439 -4.238 10.574 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.626 -6.361 10.593 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.310 -6.161 11.089 1.00 0.00 H new ATOM 327 N LEU A 20 -3.245 -1.155 3.755 1.00 0.00 N ATOM 328 CA LEU A 20 -2.331 -1.215 2.626 1.00 0.00 C ATOM 329 C LEU A 20 -1.426 0.010 2.618 1.00 0.00 C ATOM 330 O LEU A 20 -0.252 -0.076 2.264 1.00 0.00 O ATOM 331 CB LEU A 20 -3.106 -1.305 1.309 1.00 0.00 C ATOM 332 CG LEU A 20 -3.404 -2.726 0.819 1.00 0.00 C ATOM 333 CD1 LEU A 20 -2.182 -3.322 0.139 1.00 0.00 C ATOM 334 CD2 LEU A 20 -3.859 -3.611 1.972 1.00 0.00 C ATOM 0 H LEU A 20 -4.213 -0.951 3.507 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.716 -2.109 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.050 -0.773 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.540 -0.784 0.537 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.213 -2.673 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.412 -4.331 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.903 -2.704 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.353 -3.358 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.065 -4.615 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.074 -3.657 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.764 -3.195 2.415 1.00 0.00 H new ATOM 346 N GLN A 21 -1.983 1.148 3.023 1.00 0.00 N ATOM 347 CA GLN A 21 -1.225 2.392 3.072 1.00 0.00 C ATOM 348 C GLN A 21 -0.098 2.291 4.093 1.00 0.00 C ATOM 349 O GLN A 21 1.037 2.681 3.822 1.00 0.00 O ATOM 350 CB GLN A 21 -2.144 3.563 3.421 1.00 0.00 C ATOM 351 CG GLN A 21 -2.361 4.530 2.269 1.00 0.00 C ATOM 352 CD GLN A 21 -2.999 5.832 2.712 1.00 0.00 C ATOM 353 OE1 GLN A 21 -2.308 6.816 2.979 1.00 0.00 O ATOM 354 NE2 GLN A 21 -4.324 5.844 2.794 1.00 0.00 N ATOM 0 H GLN A 21 -2.955 1.233 3.321 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.791 2.567 2.088 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.109 3.173 3.744 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.721 4.107 4.266 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.404 4.742 1.793 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.993 4.057 1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.857 5.005 2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.809 6.692 3.088 1.00 0.00 H new ATOM 363 N LYS A 22 -0.417 1.759 5.271 1.00 0.00 N ATOM 364 CA LYS A 22 0.575 1.603 6.327 1.00 0.00 C ATOM 365 C LYS A 22 1.681 0.649 5.889 1.00 0.00 C ATOM 366 O LYS A 22 2.852 0.844 6.217 1.00 0.00 O ATOM 367 CB LYS A 22 -0.087 1.086 7.606 1.00 0.00 C ATOM 368 CG LYS A 22 -0.265 2.153 8.673 1.00 0.00 C ATOM 369 CD LYS A 22 -1.734 2.423 8.951 1.00 0.00 C ATOM 370 CE LYS A 22 -2.344 1.337 9.822 1.00 0.00 C ATOM 371 NZ LYS A 22 -2.268 1.678 11.270 1.00 0.00 N ATOM 0 H LYS A 22 -1.351 1.431 5.516 1.00 0.00 H new ATOM 0 HA LYS A 22 1.017 2.579 6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.062 0.667 7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.514 0.273 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.228 1.836 9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.221 3.074 8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.841 3.389 9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.279 2.484 8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.386 1.187 9.539 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.826 0.395 9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.694 0.912 11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.273 1.796 11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.784 2.564 11.446 1.00 0.00 H new ATOM 385 N GLU A 23 1.298 -0.385 5.145 1.00 0.00 N ATOM 386 CA GLU A 23 2.254 -1.372 4.659 1.00 0.00 C ATOM 387 C GLU A 23 3.257 -0.737 3.700 1.00 0.00 C ATOM 388 O GLU A 23 4.452 -1.038 3.747 1.00 0.00 O ATOM 389 CB GLU A 23 1.522 -2.520 3.962 1.00 0.00 C ATOM 390 CG GLU A 23 2.339 -3.798 3.874 1.00 0.00 C ATOM 391 CD GLU A 23 2.390 -4.549 5.191 1.00 0.00 C ATOM 392 OE1 GLU A 23 1.470 -4.363 6.016 1.00 0.00 O ATOM 393 OE2 GLU A 23 3.347 -5.323 5.396 1.00 0.00 O ATOM 0 H GLU A 23 0.333 -0.560 4.866 1.00 0.00 H new ATOM 0 HA GLU A 23 2.800 -1.764 5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.595 -2.727 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.245 -2.206 2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.913 -4.445 3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.354 -3.555 3.559 1.00 0.00 H new ATOM 400 N ILE A 24 2.769 0.145 2.830 1.00 0.00 N ATOM 401 CA ILE A 24 3.639 0.813 1.869 1.00 0.00 C ATOM 402 C ILE A 24 4.677 1.665 2.602 1.00 0.00 C ATOM 403 O ILE A 24 5.838 1.733 2.202 1.00 0.00 O ATOM 404 CB ILE A 24 2.838 1.674 0.837 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.682 3.135 1.284 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.469 1.067 0.572 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.858 4.003 0.893 1.00 0.00 C ATOM 0 H ILE A 24 1.786 0.411 2.772 1.00 0.00 H new ATOM 0 HA ILE A 24 4.152 0.039 1.298 1.00 0.00 H new ATOM 0 HB ILE A 24 3.420 1.672 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.772 3.547 0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.559 3.167 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.931 1.683 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.589 0.061 0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.905 1.022 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.688 5.023 1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.767 3.613 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.968 3.999 -0.191 1.00 0.00 H new ATOM 419 N GLU A 25 4.240 2.307 3.684 1.00 0.00 N ATOM 420 CA GLU A 25 5.120 3.149 4.483 1.00 0.00 C ATOM 421 C GLU A 25 6.294 2.338 5.017 1.00 0.00 C ATOM 422 O GLU A 25 7.440 2.782 4.964 1.00 0.00 O ATOM 423 CB GLU A 25 4.346 3.776 5.645 1.00 0.00 C ATOM 424 CG GLU A 25 5.035 4.988 6.250 1.00 0.00 C ATOM 425 CD GLU A 25 4.418 6.296 5.797 1.00 0.00 C ATOM 426 OE1 GLU A 25 3.665 6.285 4.800 1.00 0.00 O ATOM 427 OE2 GLU A 25 4.688 7.334 6.438 1.00 0.00 O ATOM 0 H GLU A 25 3.280 2.258 4.026 1.00 0.00 H new ATOM 0 HA GLU A 25 5.505 3.945 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.356 4.068 5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.201 3.025 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.985 4.924 7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.090 4.975 5.978 1.00 0.00 H new ATOM 434 N ARG A 26 6.001 1.145 5.524 1.00 0.00 N ATOM 435 CA ARG A 26 7.038 0.270 6.057 1.00 0.00 C ATOM 436 C ARG A 26 8.112 0.027 5.003 1.00 0.00 C ATOM 437 O ARG A 26 9.306 0.181 5.268 1.00 0.00 O ATOM 438 CB ARG A 26 6.435 -1.061 6.508 1.00 0.00 C ATOM 439 CG ARG A 26 7.069 -1.618 7.773 1.00 0.00 C ATOM 440 CD ARG A 26 6.347 -2.867 8.254 1.00 0.00 C ATOM 441 NE ARG A 26 6.791 -3.276 9.583 1.00 0.00 N ATOM 442 CZ ARG A 26 6.165 -4.189 10.320 1.00 0.00 C ATOM 443 NH1 ARG A 26 5.072 -4.781 9.857 1.00 0.00 N ATOM 444 NH2 ARG A 26 6.631 -4.509 11.519 1.00 0.00 N ATOM 0 H ARG A 26 5.057 0.763 5.577 1.00 0.00 H new ATOM 0 HA ARG A 26 7.492 0.756 6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.366 -0.928 6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.544 -1.790 5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.117 -1.852 7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.048 -0.860 8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.273 -2.681 8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.518 -3.680 7.548 1.00 0.00 H new ATOM 0 HE ARG A 26 7.628 -2.837 9.968 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.711 -4.536 8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.593 -5.481 10.423 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.471 -4.055 11.878 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.150 -5.209 12.083 1.00 0.00 H new ATOM 458 N HIS A 27 7.678 -0.340 3.803 1.00 0.00 N ATOM 459 CA HIS A 27 8.600 -0.589 2.704 1.00 0.00 C ATOM 460 C HIS A 27 9.352 0.688 2.342 1.00 0.00 C ATOM 461 O HIS A 27 10.464 0.639 1.819 1.00 0.00 O ATOM 462 CB HIS A 27 7.845 -1.117 1.483 1.00 0.00 C ATOM 463 CG HIS A 27 7.886 -2.608 1.352 1.00 0.00 C ATOM 464 ND1 HIS A 27 9.037 -3.306 1.054 1.00 0.00 N ATOM 465 CD2 HIS A 27 6.908 -3.536 1.483 1.00 0.00 C ATOM 466 CE1 HIS A 27 8.765 -4.599 1.005 1.00 0.00 C ATOM 467 NE2 HIS A 27 7.481 -4.763 1.263 1.00 0.00 N ATOM 0 H HIS A 27 6.694 -0.471 3.567 1.00 0.00 H new ATOM 0 HA HIS A 27 9.320 -1.342 3.023 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.806 -0.794 1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.268 -0.670 0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.871 -3.346 1.717 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.472 -5.386 0.791 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.993 -5.658 1.294 1.00 0.00 H new ATOM 476 N LYS A 28 8.734 1.831 2.631 1.00 0.00 N ATOM 477 CA LYS A 28 9.340 3.125 2.345 1.00 0.00 C ATOM 478 C LYS A 28 10.438 3.442 3.352 1.00 0.00 C ATOM 479 O LYS A 28 11.371 4.187 3.055 1.00 0.00 O ATOM 480 CB LYS A 28 8.277 4.226 2.369 1.00 0.00 C ATOM 481 CG LYS A 28 8.836 5.616 2.114 1.00 0.00 C ATOM 482 CD LYS A 28 7.809 6.693 2.421 1.00 0.00 C ATOM 483 CE LYS A 28 6.629 6.627 1.465 1.00 0.00 C ATOM 484 NZ LYS A 28 6.939 7.265 0.156 1.00 0.00 N ATOM 0 H LYS A 28 7.812 1.885 3.064 1.00 0.00 H new ATOM 0 HA LYS A 28 9.784 3.080 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.519 4.005 1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.777 4.216 3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.723 5.771 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.151 5.698 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.455 6.578 3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.278 7.674 2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.350 5.586 1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.769 7.122 1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.405 6.787 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.671 8.269 0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.958 7.185 -0.037 1.00 0.00 H new ATOM 498 N GLN A 29 10.321 2.869 4.545 1.00 0.00 N ATOM 499 CA GLN A 29 11.304 3.086 5.597 1.00 0.00 C ATOM 500 C GLN A 29 12.557 2.258 5.342 1.00 0.00 C ATOM 501 O GLN A 29 13.670 2.687 5.644 1.00 0.00 O ATOM 502 CB GLN A 29 10.711 2.731 6.963 1.00 0.00 C ATOM 503 CG GLN A 29 11.576 3.169 8.133 1.00 0.00 C ATOM 504 CD GLN A 29 10.883 2.988 9.469 1.00 0.00 C ATOM 505 OE1 GLN A 29 10.193 1.994 9.695 1.00 0.00 O ATOM 506 NE2 GLN A 29 11.064 3.951 10.365 1.00 0.00 N ATOM 0 H GLN A 29 9.554 2.250 4.807 1.00 0.00 H new ATOM 0 HA GLN A 29 11.578 4.141 5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.728 3.194 7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.561 1.653 7.016 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.504 2.597 8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.847 4.217 8.007 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.644 4.758 10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.623 3.884 11.282 1.00 0.00 H new ATOM 515 N SER A 30 12.368 1.068 4.780 1.00 0.00 N ATOM 516 CA SER A 30 13.485 0.179 4.481 1.00 0.00 C ATOM 517 C SER A 30 14.248 0.664 3.252 1.00 0.00 C ATOM 518 O SER A 30 15.477 0.620 3.214 1.00 0.00 O ATOM 519 CB SER A 30 12.984 -1.249 4.257 1.00 0.00 C ATOM 520 OG SER A 30 12.876 -1.950 5.482 1.00 0.00 O ATOM 0 H SER A 30 11.453 0.698 4.523 1.00 0.00 H new ATOM 0 HA SER A 30 14.163 0.186 5.335 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.013 -1.223 3.762 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.667 -1.777 3.591 1.00 0.00 H new ATOM 0 HG SER A 30 12.552 -2.859 5.311 1.00 0.00 H new ATOM 526 N ILE A 31 13.509 1.127 2.248 1.00 0.00 N ATOM 527 CA ILE A 31 14.113 1.623 1.017 1.00 0.00 C ATOM 528 C ILE A 31 14.693 3.018 1.219 1.00 0.00 C ATOM 529 O ILE A 31 15.640 3.413 0.540 1.00 0.00 O ATOM 530 CB ILE A 31 13.081 1.651 -0.130 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.688 2.231 -1.411 1.00 0.00 C ATOM 532 CG2 ILE A 31 11.857 2.451 0.281 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.534 1.244 -2.182 1.00 0.00 C ATOM 0 H ILE A 31 12.490 1.169 2.264 1.00 0.00 H new ATOM 0 HA ILE A 31 14.920 0.941 0.749 1.00 0.00 H new ATOM 0 HB ILE A 31 12.781 0.624 -0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.884 2.588 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.298 3.097 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.138 2.462 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.401 1.993 1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.153 3.473 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.930 1.725 -3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.360 0.905 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.923 0.389 -2.471 1.00 0.00 H new ATOM 545 N LYS A 32 14.120 3.760 2.161 1.00 0.00 N ATOM 546 CA LYS A 32 14.583 5.110 2.455 1.00 0.00 C ATOM 547 C LYS A 32 15.788 5.077 3.389 1.00 0.00 C ATOM 548 O LYS A 32 16.635 5.970 3.359 1.00 0.00 O ATOM 549 CB LYS A 32 13.457 5.934 3.084 1.00 0.00 C ATOM 550 CG LYS A 32 13.876 7.343 3.469 1.00 0.00 C ATOM 551 CD LYS A 32 14.002 8.240 2.248 1.00 0.00 C ATOM 552 CE LYS A 32 12.638 8.620 1.693 1.00 0.00 C ATOM 553 NZ LYS A 32 12.428 10.094 1.697 1.00 0.00 N ATOM 0 H LYS A 32 13.335 3.449 2.733 1.00 0.00 H new ATOM 0 HA LYS A 32 14.883 5.578 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.624 5.990 2.383 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.092 5.417 3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.145 7.766 4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 32 14.829 7.309 3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.552 9.143 2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.580 7.729 1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.542 8.242 0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.859 8.141 2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.487 10.312 1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.494 10.451 2.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.156 10.550 1.111 1.00 0.00 H new ATOM 567 N LYS A 33 15.860 4.039 4.216 1.00 0.00 N ATOM 568 CA LYS A 33 16.964 3.888 5.155 1.00 0.00 C ATOM 569 C LYS A 33 18.179 3.279 4.463 1.00 0.00 C ATOM 570 O LYS A 33 19.320 3.595 4.797 1.00 0.00 O ATOM 571 CB LYS A 33 16.542 3.012 6.337 1.00 0.00 C ATOM 572 CG LYS A 33 17.596 2.914 7.427 1.00 0.00 C ATOM 573 CD LYS A 33 17.293 1.781 8.395 1.00 0.00 C ATOM 574 CE LYS A 33 18.311 1.724 9.522 1.00 0.00 C ATOM 575 NZ LYS A 33 17.669 1.857 10.859 1.00 0.00 N ATOM 0 H LYS A 33 15.167 3.291 4.254 1.00 0.00 H new ATOM 0 HA LYS A 33 17.234 4.877 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.624 3.413 6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.313 2.010 5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.575 2.755 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.646 3.856 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.295 1.914 8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.290 0.833 7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.854 0.780 9.473 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.043 2.521 9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.398 1.813 11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.172 2.769 10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.989 1.082 10.996 1.00 0.00 H new ATOM 589 N LEU A 34 17.923 2.407 3.493 1.00 0.00 N ATOM 590 CA LEU A 34 18.993 1.757 2.750 1.00 0.00 C ATOM 591 C LEU A 34 19.544 2.690 1.676 1.00 0.00 C ATOM 592 O LEU A 34 20.725 2.630 1.334 1.00 0.00 O ATOM 593 CB LEU A 34 18.487 0.461 2.110 1.00 0.00 C ATOM 594 CG LEU A 34 19.026 -0.824 2.739 1.00 0.00 C ATOM 595 CD1 LEU A 34 17.881 -1.733 3.160 1.00 0.00 C ATOM 596 CD2 LEU A 34 19.951 -1.545 1.770 1.00 0.00 C ATOM 0 H LEU A 34 16.983 2.135 3.204 1.00 0.00 H new ATOM 0 HA LEU A 34 19.796 1.516 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.399 0.446 2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.751 0.469 1.053 1.00 0.00 H new ATOM 0 HG LEU A 34 19.599 -0.558 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.284 -2.643 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.256 -1.217 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.282 -1.991 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 34 20.325 -2.457 2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.402 -1.799 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.790 -0.896 1.517 1.00 0.00 H new ATOM 608 N LYS A 35 18.680 3.553 1.151 1.00 0.00 N ATOM 609 CA LYS A 35 19.081 4.502 0.120 1.00 0.00 C ATOM 610 C LYS A 35 19.783 5.707 0.736 1.00 0.00 C ATOM 611 O LYS A 35 20.664 6.307 0.121 1.00 0.00 O ATOM 612 CB LYS A 35 17.861 4.962 -0.682 1.00 0.00 C ATOM 613 CG LYS A 35 18.216 5.605 -2.013 1.00 0.00 C ATOM 614 CD LYS A 35 18.248 7.121 -1.908 1.00 0.00 C ATOM 615 CE LYS A 35 16.890 7.730 -2.215 1.00 0.00 C ATOM 616 NZ LYS A 35 17.003 8.924 -3.095 1.00 0.00 N ATOM 0 H LYS A 35 17.699 3.614 1.423 1.00 0.00 H new ATOM 0 HA LYS A 35 19.779 4.000 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.212 4.106 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 35 17.291 5.674 -0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 35 19.188 5.242 -2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.489 5.307 -2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.559 7.411 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.991 7.519 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.258 6.983 -2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.399 8.011 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.055 9.310 -3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.585 9.647 -2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.448 8.651 -3.995 1.00 0.00 H new ATOM 630 N GLN A 36 19.388 6.054 1.958 1.00 0.00 N ATOM 631 CA GLN A 36 19.982 7.186 2.658 1.00 0.00 C ATOM 632 C GLN A 36 21.313 6.793 3.291 1.00 0.00 C ATOM 633 O GLN A 36 22.204 7.626 3.453 1.00 0.00 O ATOM 634 CB GLN A 36 19.026 7.707 3.733 1.00 0.00 C ATOM 635 CG GLN A 36 19.613 8.824 4.579 1.00 0.00 C ATOM 636 CD GLN A 36 19.606 8.499 6.061 1.00 0.00 C ATOM 637 OE1 GLN A 36 18.732 7.782 6.547 1.00 0.00 O ATOM 638 NE2 GLN A 36 20.584 9.028 6.787 1.00 0.00 N ATOM 0 H GLN A 36 18.660 5.568 2.482 1.00 0.00 H new ATOM 0 HA GLN A 36 20.164 7.977 1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 36 18.115 8.066 3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.740 6.881 4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.636 9.018 4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.047 9.740 4.409 1.00 0.00 H new ATOM 0 HE21 GLN A 36 21.288 9.617 6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 36 20.631 8.845 7.789 1.00 0.00 H new ATOM 647 N SER A 37 21.439 5.518 3.645 1.00 0.00 N ATOM 648 CA SER A 37 22.661 5.013 4.259 1.00 0.00 C ATOM 649 C SER A 37 23.730 4.751 3.202 1.00 0.00 C ATOM 650 O SER A 37 24.926 4.821 3.484 1.00 0.00 O ATOM 651 CB SER A 37 22.373 3.730 5.039 1.00 0.00 C ATOM 652 OG SER A 37 23.328 3.532 6.067 1.00 0.00 O ATOM 0 H SER A 37 20.710 4.816 3.517 1.00 0.00 H new ATOM 0 HA SER A 37 23.033 5.771 4.948 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.374 3.780 5.472 1.00 0.00 H new ATOM 0 HB3 SER A 37 22.384 2.878 4.360 1.00 0.00 H new ATOM 0 HG SER A 37 23.120 2.706 6.552 1.00 0.00 H new ATOM 658 N GLU A 38 23.289 4.450 1.985 1.00 0.00 N ATOM 659 CA GLU A 38 24.208 4.178 0.886 1.00 0.00 C ATOM 660 C GLU A 38 24.784 5.475 0.327 1.00 0.00 C ATOM 661 O GLU A 38 25.881 5.488 -0.232 1.00 0.00 O ATOM 662 CB GLU A 38 23.494 3.402 -0.223 1.00 0.00 C ATOM 663 CG GLU A 38 24.167 2.085 -0.573 1.00 0.00 C ATOM 664 CD GLU A 38 24.270 1.863 -2.070 1.00 0.00 C ATOM 665 OE1 GLU A 38 24.187 2.854 -2.824 1.00 0.00 O ATOM 666 OE2 GLU A 38 24.433 0.697 -2.487 1.00 0.00 O ATOM 0 H GLU A 38 22.302 4.388 1.735 1.00 0.00 H new ATOM 0 HA GLU A 38 25.029 3.573 1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.467 3.205 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 38 23.445 4.024 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.166 2.064 -0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.606 1.264 -0.125 1.00 0.00 H new ATOM 673 N ASP A 39 24.037 6.563 0.482 1.00 0.00 N ATOM 674 CA ASP A 39 24.475 7.866 -0.008 1.00 0.00 C ATOM 675 C ASP A 39 25.498 8.486 0.938 1.00 0.00 C ATOM 676 O ASP A 39 26.320 9.306 0.528 1.00 0.00 O ATOM 677 CB ASP A 39 23.277 8.802 -0.168 1.00 0.00 C ATOM 678 CG ASP A 39 22.569 8.615 -1.495 1.00 0.00 C ATOM 679 OD1 ASP A 39 23.261 8.561 -2.534 1.00 0.00 O ATOM 680 OD2 ASP A 39 21.323 8.523 -1.497 1.00 0.00 O ATOM 0 H ASP A 39 23.127 6.569 0.942 1.00 0.00 H new ATOM 0 HA ASP A 39 24.947 7.722 -0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 39 22.572 8.627 0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 39 23.613 9.835 -0.081 1.00 0.00 H new ATOM 685 N ASP A 40 25.443 8.089 2.205 1.00 0.00 N ATOM 686 CA ASP A 40 26.365 8.607 3.210 1.00 0.00 C ATOM 687 C ASP A 40 26.196 10.113 3.378 1.00 0.00 C ATOM 688 O ASP A 40 27.107 10.887 3.080 1.00 0.00 O ATOM 689 CB ASP A 40 27.808 8.283 2.821 1.00 0.00 C ATOM 690 CG ASP A 40 28.282 6.965 3.401 1.00 0.00 C ATOM 691 OD1 ASP A 40 27.761 5.911 2.982 1.00 0.00 O ATOM 692 OD2 ASP A 40 29.174 6.988 4.275 1.00 0.00 O ATOM 0 H ASP A 40 24.770 7.410 2.561 1.00 0.00 H new ATOM 0 HA ASP A 40 26.136 8.127 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 40 27.889 8.249 1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 40 28.462 9.084 3.165 1.00 0.00 H new ATOM 697 N ASP A 41 25.027 10.523 3.857 1.00 0.00 N ATOM 698 CA ASP A 41 24.739 11.937 4.066 1.00 0.00 C ATOM 699 C ASP A 41 25.053 12.746 2.812 1.00 0.00 C ATOM 700 O ASP A 41 25.250 12.130 1.745 1.00 0.00 O ATOM 701 CB ASP A 41 25.546 12.474 5.249 1.00 0.00 C ATOM 702 CG ASP A 41 25.618 11.486 6.397 1.00 0.00 C ATOM 703 OD1 ASP A 41 24.611 11.342 7.120 1.00 0.00 O ATOM 704 OD2 ASP A 41 26.683 10.856 6.571 1.00 0.00 O ATOM 705 OXT ASP A 41 25.098 13.991 2.908 1.00 0.00 O ATOM 0 H ASP A 41 24.263 9.896 4.108 1.00 0.00 H new ATOM 0 HA ASP A 41 23.676 12.038 4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 41 26.556 12.715 4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 41 25.096 13.403 5.600 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 30.540 -10.211 -4.732 1.00 0.00 N ATOM 712 CA ALA B 1 31.042 -9.010 -4.015 1.00 0.00 C ATOM 713 C ALA B 1 30.753 -9.104 -2.521 1.00 0.00 C ATOM 714 O ALA B 1 30.490 -10.187 -1.997 1.00 0.00 O ATOM 715 CB ALA B 1 30.418 -7.750 -4.594 1.00 0.00 C ATOM 0 H1 ALA B 1 31.313 -10.633 -5.285 1.00 0.00 H new ATOM 0 H2 ALA B 1 30.188 -10.905 -4.042 1.00 0.00 H new ATOM 0 H3 ALA B 1 29.767 -9.936 -5.371 1.00 0.00 H new ATOM 0 HA ALA B 1 32.123 -8.963 -4.149 1.00 0.00 H new ATOM 0 HB1 ALA B 1 30.795 -6.878 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA B 1 30.677 -7.668 -5.650 1.00 0.00 H new ATOM 0 HB3 ALA B 1 29.334 -7.799 -4.489 1.00 0.00 H new ATOM 723 N LEU B 2 30.803 -7.964 -1.841 1.00 0.00 N ATOM 724 CA LEU B 2 30.546 -7.918 -0.407 1.00 0.00 C ATOM 725 C LEU B 2 29.372 -6.997 -0.094 1.00 0.00 C ATOM 726 O LEU B 2 28.532 -7.310 0.750 1.00 0.00 O ATOM 727 CB LEU B 2 31.794 -7.445 0.340 1.00 0.00 C ATOM 728 CG LEU B 2 32.069 -8.163 1.662 1.00 0.00 C ATOM 729 CD1 LEU B 2 30.816 -8.196 2.522 1.00 0.00 C ATOM 730 CD2 LEU B 2 32.578 -9.574 1.405 1.00 0.00 C ATOM 0 H LEU B 2 31.019 -7.060 -2.260 1.00 0.00 H new ATOM 0 HA LEU B 2 30.292 -8.925 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU B 2 32.659 -7.572 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU B 2 31.698 -6.377 0.537 1.00 0.00 H new ATOM 0 HG LEU B 2 32.840 -7.611 2.200 1.00 0.00 H new ATOM 0 HD11 LEU B 2 31.031 -8.711 3.458 1.00 0.00 H new ATOM 0 HD12 LEU B 2 30.493 -7.177 2.734 1.00 0.00 H new ATOM 0 HD13 LEU B 2 30.024 -8.724 1.991 1.00 0.00 H new ATOM 0 HD21 LEU B 2 32.769 -10.071 2.356 1.00 0.00 H new ATOM 0 HD22 LEU B 2 31.829 -10.135 0.846 1.00 0.00 H new ATOM 0 HD23 LEU B 2 33.502 -9.528 0.828 1.00 0.00 H new ATOM 742 N LYS B 3 29.320 -5.859 -0.778 1.00 0.00 N ATOM 743 CA LYS B 3 28.248 -4.892 -0.572 1.00 0.00 C ATOM 744 C LYS B 3 27.433 -4.704 -1.848 1.00 0.00 C ATOM 745 O LYS B 3 26.839 -3.649 -2.068 1.00 0.00 O ATOM 746 CB LYS B 3 28.823 -3.548 -0.119 1.00 0.00 C ATOM 747 CG LYS B 3 29.348 -3.562 1.308 1.00 0.00 C ATOM 748 CD LYS B 3 30.850 -3.794 1.347 1.00 0.00 C ATOM 749 CE LYS B 3 31.511 -2.981 2.448 1.00 0.00 C ATOM 750 NZ LYS B 3 32.206 -3.850 3.438 1.00 0.00 N ATOM 0 H LYS B 3 30.007 -5.584 -1.480 1.00 0.00 H new ATOM 0 HA LYS B 3 27.590 -5.278 0.206 1.00 0.00 H new ATOM 0 HB2 LYS B 3 29.631 -3.262 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS B 3 28.051 -2.784 -0.206 1.00 0.00 H new ATOM 0 HG2 LYS B 3 29.112 -2.615 1.793 1.00 0.00 H new ATOM 0 HG3 LYS B 3 28.843 -4.344 1.875 1.00 0.00 H new ATOM 0 HD2 LYS B 3 31.052 -4.854 1.505 1.00 0.00 H new ATOM 0 HD3 LYS B 3 31.286 -3.527 0.384 1.00 0.00 H new ATOM 0 HE2 LYS B 3 32.227 -2.288 2.007 1.00 0.00 H new ATOM 0 HE3 LYS B 3 30.758 -2.380 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 32.644 -3.258 4.172 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 31.518 -4.495 3.877 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 32.942 -4.405 2.956 1.00 0.00 H new ATOM 764 N LYS B 4 27.408 -5.736 -2.685 1.00 0.00 N ATOM 765 CA LYS B 4 26.666 -5.684 -3.940 1.00 0.00 C ATOM 766 C LYS B 4 25.234 -6.171 -3.743 1.00 0.00 C ATOM 767 O LYS B 4 24.303 -5.657 -4.364 1.00 0.00 O ATOM 768 CB LYS B 4 27.364 -6.530 -5.007 1.00 0.00 C ATOM 769 CG LYS B 4 27.245 -8.027 -4.771 1.00 0.00 C ATOM 770 CD LYS B 4 26.053 -8.614 -5.509 1.00 0.00 C ATOM 771 CE LYS B 4 26.072 -10.133 -5.480 1.00 0.00 C ATOM 772 NZ LYS B 4 24.799 -10.714 -5.990 1.00 0.00 N ATOM 0 H LYS B 4 27.892 -6.618 -2.517 1.00 0.00 H new ATOM 0 HA LYS B 4 26.636 -4.647 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS B 4 26.942 -6.290 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS B 4 28.419 -6.259 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS B 4 28.158 -8.522 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS B 4 27.145 -8.221 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS B 4 25.130 -8.252 -5.057 1.00 0.00 H new ATOM 0 HD3 LYS B 4 26.058 -8.269 -6.543 1.00 0.00 H new ATOM 0 HE2 LYS B 4 26.904 -10.497 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS B 4 26.244 -10.475 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 24.852 -11.752 -5.954 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 24.007 -10.387 -5.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 24.647 -10.409 -6.973 1.00 0.00 H new ATOM 786 N HIS B 5 25.064 -7.164 -2.876 1.00 0.00 N ATOM 787 CA HIS B 5 23.744 -7.717 -2.598 1.00 0.00 C ATOM 788 C HIS B 5 22.805 -6.638 -2.069 1.00 0.00 C ATOM 789 O HIS B 5 21.586 -6.738 -2.211 1.00 0.00 O ATOM 790 CB HIS B 5 23.849 -8.860 -1.587 1.00 0.00 C ATOM 791 CG HIS B 5 24.682 -8.526 -0.388 1.00 0.00 C ATOM 792 ND1 HIS B 5 24.589 -7.506 0.500 1.00 0.00 N flip ATOM 793 CD2 HIS B 5 25.764 -9.283 0.012 1.00 0.00 C flip ATOM 794 CE1 HIS B 5 25.605 -7.667 1.409 1.00 0.00 C flip ATOM 795 NE2 HIS B 5 26.298 -8.746 1.094 1.00 0.00 N flip ATOM 0 H HIS B 5 25.823 -7.602 -2.354 1.00 0.00 H new ATOM 0 HA HIS B 5 23.335 -8.105 -3.531 1.00 0.00 H new ATOM 0 HB2 HIS B 5 22.847 -9.136 -1.258 1.00 0.00 H new ATOM 0 HB3 HIS B 5 24.273 -9.734 -2.082 1.00 0.00 H new ATOM 0 HD2 HIS B 5 26.119 -10.175 -0.482 1.00 0.00 H new ATOM 0 HE1 HIS B 5 25.805 -7.016 2.247 1.00 0.00 H new ATOM 0 HE2 HIS B 5 27.108 -9.104 1.600 1.00 0.00 H new ATOM 804 N HIS B 6 23.381 -5.607 -1.459 1.00 0.00 N ATOM 805 CA HIS B 6 22.595 -4.509 -0.909 1.00 0.00 C ATOM 806 C HIS B 6 21.810 -3.801 -2.008 1.00 0.00 C ATOM 807 O HIS B 6 20.664 -3.405 -1.804 1.00 0.00 O ATOM 808 CB HIS B 6 23.506 -3.511 -0.191 1.00 0.00 C ATOM 809 CG HIS B 6 23.160 -3.318 1.253 1.00 0.00 C ATOM 810 ND1 HIS B 6 22.548 -4.289 2.018 1.00 0.00 N ATOM 811 CD2 HIS B 6 23.345 -2.257 2.075 1.00 0.00 C ATOM 812 CE1 HIS B 6 22.371 -3.833 3.246 1.00 0.00 C ATOM 813 NE2 HIS B 6 22.847 -2.604 3.305 1.00 0.00 N ATOM 0 H HIS B 6 24.388 -5.509 -1.333 1.00 0.00 H new ATOM 0 HA HIS B 6 21.887 -4.924 -0.191 1.00 0.00 H new ATOM 0 HB2 HIS B 6 24.538 -3.854 -0.266 1.00 0.00 H new ATOM 0 HB3 HIS B 6 23.451 -2.549 -0.701 1.00 0.00 H new ATOM 0 HD2 HIS B 6 23.800 -1.314 1.811 1.00 0.00 H new ATOM 0 HE1 HIS B 6 21.915 -4.374 4.062 1.00 0.00 H new ATOM 0 HE2 HIS B 6 22.845 -2.008 4.132 1.00 0.00 H new ATOM 822 N GLU B 7 22.433 -3.648 -3.172 1.00 0.00 N ATOM 823 CA GLU B 7 21.787 -2.991 -4.301 1.00 0.00 C ATOM 824 C GLU B 7 20.568 -3.785 -4.758 1.00 0.00 C ATOM 825 O GLU B 7 19.627 -3.227 -5.324 1.00 0.00 O ATOM 826 CB GLU B 7 22.772 -2.833 -5.460 1.00 0.00 C ATOM 827 CG GLU B 7 23.375 -1.441 -5.560 1.00 0.00 C ATOM 828 CD GLU B 7 22.733 -0.604 -6.649 1.00 0.00 C ATOM 829 OE1 GLU B 7 21.808 -1.111 -7.318 1.00 0.00 O ATOM 830 OE2 GLU B 7 23.155 0.557 -6.831 1.00 0.00 O ATOM 0 H GLU B 7 23.383 -3.970 -3.357 1.00 0.00 H new ATOM 0 HA GLU B 7 21.459 -2.003 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU B 7 23.575 -3.561 -5.345 1.00 0.00 H new ATOM 0 HB3 GLU B 7 22.262 -3.067 -6.394 1.00 0.00 H new ATOM 0 HG2 GLU B 7 23.264 -0.932 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU B 7 24.444 -1.525 -5.755 1.00 0.00 H new ATOM 837 N ASN B 8 20.591 -5.090 -4.504 1.00 0.00 N ATOM 838 CA ASN B 8 19.485 -5.960 -4.884 1.00 0.00 C ATOM 839 C ASN B 8 18.279 -5.713 -3.985 1.00 0.00 C ATOM 840 O ASN B 8 17.191 -5.393 -4.463 1.00 0.00 O ATOM 841 CB ASN B 8 19.909 -7.428 -4.801 1.00 0.00 C ATOM 842 CG ASN B 8 19.338 -8.259 -5.934 1.00 0.00 C ATOM 843 OD1 ASN B 8 18.446 -7.815 -6.657 1.00 0.00 O ATOM 844 ND2 ASN B 8 19.852 -9.473 -6.094 1.00 0.00 N ATOM 0 H ASN B 8 21.363 -5.567 -4.037 1.00 0.00 H new ATOM 0 HA ASN B 8 19.207 -5.732 -5.913 1.00 0.00 H new ATOM 0 HB2 ASN B 8 20.997 -7.491 -4.820 1.00 0.00 H new ATOM 0 HB3 ASN B 8 19.583 -7.844 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN B 8 19.508 -10.078 -6.840 1.00 0.00 H new ATOM 0 HD22 ASN B 8 20.591 -9.800 -5.471 1.00 0.00 H new ATOM 851 N GLU B 9 18.484 -5.852 -2.679 1.00 0.00 N ATOM 852 CA GLU B 9 17.415 -5.630 -1.714 1.00 0.00 C ATOM 853 C GLU B 9 16.926 -4.185 -1.778 1.00 0.00 C ATOM 854 O GLU B 9 15.808 -3.878 -1.366 1.00 0.00 O ATOM 855 CB GLU B 9 17.899 -5.956 -0.300 1.00 0.00 C ATOM 856 CG GLU B 9 17.055 -7.003 0.407 1.00 0.00 C ATOM 857 CD GLU B 9 16.729 -6.621 1.837 1.00 0.00 C ATOM 858 OE1 GLU B 9 17.499 -5.839 2.433 1.00 0.00 O ATOM 859 OE2 GLU B 9 15.702 -7.102 2.361 1.00 0.00 O ATOM 0 H GLU B 9 19.378 -6.117 -2.266 1.00 0.00 H new ATOM 0 HA GLU B 9 16.585 -6.291 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU B 9 18.930 -6.306 -0.350 1.00 0.00 H new ATOM 0 HB3 GLU B 9 17.901 -5.042 0.294 1.00 0.00 H new ATOM 0 HG2 GLU B 9 16.127 -7.151 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU B 9 17.585 -7.956 0.401 1.00 0.00 H new ATOM 866 N ILE B 10 17.774 -3.301 -2.298 1.00 0.00 N ATOM 867 CA ILE B 10 17.439 -1.891 -2.419 1.00 0.00 C ATOM 868 C ILE B 10 16.453 -1.673 -3.572 1.00 0.00 C ATOM 869 O ILE B 10 15.457 -0.962 -3.426 1.00 0.00 O ATOM 870 CB ILE B 10 18.744 -1.036 -2.578 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.966 -0.194 -1.323 1.00 0.00 C ATOM 872 CG2 ILE B 10 18.753 -0.140 -3.819 1.00 0.00 C ATOM 873 CD1 ILE B 10 20.410 -0.163 -0.868 1.00 0.00 C ATOM 0 H ILE B 10 18.703 -3.542 -2.643 1.00 0.00 H new ATOM 0 HA ILE B 10 16.943 -1.557 -1.508 1.00 0.00 H new ATOM 0 HB ILE B 10 19.561 -1.745 -2.713 1.00 0.00 H new ATOM 0 HG12 ILE B 10 18.631 0.825 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE B 10 18.347 -0.587 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE B 10 19.688 0.419 -3.858 1.00 0.00 H new ATOM 0 HG22 ILE B 10 18.661 -0.756 -4.713 1.00 0.00 H new ATOM 0 HG23 ILE B 10 17.916 0.557 -3.771 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.496 0.452 0.028 1.00 0.00 H new ATOM 0 HD12 ILE B 10 20.743 -1.177 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE B 10 21.032 0.258 -1.658 1.00 0.00 H new ATOM 885 N SER B 11 16.738 -2.292 -4.712 1.00 0.00 N ATOM 886 CA SER B 11 15.879 -2.169 -5.883 1.00 0.00 C ATOM 887 C SER B 11 14.540 -2.856 -5.644 1.00 0.00 C ATOM 888 O SER B 11 13.528 -2.494 -6.245 1.00 0.00 O ATOM 889 CB SER B 11 16.564 -2.771 -7.112 1.00 0.00 C ATOM 890 OG SER B 11 15.960 -2.315 -8.310 1.00 0.00 O ATOM 0 H SER B 11 17.557 -2.884 -4.850 1.00 0.00 H new ATOM 0 HA SER B 11 15.698 -1.109 -6.062 1.00 0.00 H new ATOM 0 HB2 SER B 11 17.621 -2.504 -7.110 1.00 0.00 H new ATOM 0 HB3 SER B 11 16.510 -3.859 -7.065 1.00 0.00 H new ATOM 0 HG SER B 11 16.418 -2.714 -9.079 1.00 0.00 H new ATOM 896 N HIS B 12 14.540 -3.849 -4.761 1.00 0.00 N ATOM 897 CA HIS B 12 13.326 -4.584 -4.442 1.00 0.00 C ATOM 898 C HIS B 12 12.415 -3.741 -3.544 1.00 0.00 C ATOM 899 O HIS B 12 11.211 -3.648 -3.784 1.00 0.00 O ATOM 900 CB HIS B 12 13.695 -5.948 -3.810 1.00 0.00 C ATOM 901 CG HIS B 12 12.993 -6.292 -2.525 1.00 0.00 C ATOM 902 ND1 HIS B 12 13.449 -6.316 -1.252 1.00 0.00 N flip ATOM 903 CD2 HIS B 12 11.668 -6.669 -2.464 1.00 0.00 C flip ATOM 904 CE1 HIS B 12 12.401 -6.702 -0.453 1.00 0.00 C flip ATOM 905 NE2 HIS B 12 11.338 -6.908 -1.207 1.00 0.00 N flip ATOM 0 H HIS B 12 15.368 -4.162 -4.255 1.00 0.00 H new ATOM 0 HA HIS B 12 12.764 -4.789 -5.353 1.00 0.00 H new ATOM 0 HB2 HIS B 12 13.483 -6.732 -4.537 1.00 0.00 H new ATOM 0 HB3 HIS B 12 14.770 -5.963 -3.629 1.00 0.00 H new ATOM 0 HD2 HIS B 12 11.004 -6.755 -3.311 1.00 0.00 H new ATOM 0 HE1 HIS B 12 12.441 -6.818 0.620 1.00 0.00 H new ATOM 0 HE2 HIS B 12 10.419 -7.201 -0.876 1.00 0.00 H new ATOM 914 N HIS B 13 12.995 -3.119 -2.520 1.00 0.00 N ATOM 915 CA HIS B 13 12.220 -2.281 -1.614 1.00 0.00 C ATOM 916 C HIS B 13 11.621 -1.106 -2.374 1.00 0.00 C ATOM 917 O HIS B 13 10.552 -0.609 -2.025 1.00 0.00 O ATOM 918 CB HIS B 13 13.088 -1.760 -0.471 1.00 0.00 C ATOM 919 CG HIS B 13 13.815 -2.825 0.280 1.00 0.00 C ATOM 920 ND1 HIS B 13 13.341 -4.111 0.428 1.00 0.00 N ATOM 921 CD2 HIS B 13 14.995 -2.782 0.937 1.00 0.00 C ATOM 922 CE1 HIS B 13 14.200 -4.815 1.145 1.00 0.00 C ATOM 923 NE2 HIS B 13 15.213 -4.030 1.465 1.00 0.00 N ATOM 0 H HIS B 13 13.989 -3.179 -2.300 1.00 0.00 H new ATOM 0 HA HIS B 13 11.420 -2.890 -1.193 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.815 -1.055 -0.874 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.458 -1.206 0.225 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.646 -1.925 1.029 1.00 0.00 H new ATOM 0 HE1 HIS B 13 14.092 -5.853 1.422 1.00 0.00 H new ATOM 0 HE2 HIS B 13 16.026 -4.307 2.016 1.00 0.00 H new ATOM 932 N ALA B 14 12.322 -0.666 -3.415 1.00 0.00 N ATOM 933 CA ALA B 14 11.860 0.450 -4.230 1.00 0.00 C ATOM 934 C ALA B 14 10.582 0.076 -4.963 1.00 0.00 C ATOM 935 O ALA B 14 9.560 0.749 -4.834 1.00 0.00 O ATOM 936 CB ALA B 14 12.938 0.868 -5.219 1.00 0.00 C ATOM 0 H ALA B 14 13.212 -1.066 -3.713 1.00 0.00 H new ATOM 0 HA ALA B 14 11.648 1.294 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.577 1.703 -5.820 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.832 1.173 -4.675 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.178 0.029 -5.871 1.00 0.00 H new ATOM 942 N LYS B 15 10.643 -1.013 -5.721 1.00 0.00 N ATOM 943 CA LYS B 15 9.482 -1.487 -6.460 1.00 0.00 C ATOM 944 C LYS B 15 8.390 -1.960 -5.501 1.00 0.00 C ATOM 945 O LYS B 15 7.236 -2.122 -5.897 1.00 0.00 O ATOM 946 CB LYS B 15 9.880 -2.626 -7.401 1.00 0.00 C ATOM 947 CG LYS B 15 10.660 -2.163 -8.620 1.00 0.00 C ATOM 948 CD LYS B 15 10.765 -3.262 -9.666 1.00 0.00 C ATOM 949 CE LYS B 15 11.439 -4.503 -9.103 1.00 0.00 C ATOM 950 NZ LYS B 15 12.592 -4.936 -9.941 1.00 0.00 N ATOM 0 H LYS B 15 11.482 -1.582 -5.839 1.00 0.00 H new ATOM 0 HA LYS B 15 9.092 -0.659 -7.052 1.00 0.00 H new ATOM 0 HB2 LYS B 15 10.480 -3.349 -6.849 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.980 -3.145 -7.731 1.00 0.00 H new ATOM 0 HG2 LYS B 15 10.172 -1.291 -9.055 1.00 0.00 H new ATOM 0 HG3 LYS B 15 11.660 -1.851 -8.317 1.00 0.00 H new ATOM 0 HD2 LYS B 15 9.769 -3.519 -10.027 1.00 0.00 H new ATOM 0 HD3 LYS B 15 11.330 -2.897 -10.524 1.00 0.00 H new ATOM 0 HE2 LYS B 15 11.783 -4.301 -8.089 1.00 0.00 H new ATOM 0 HE3 LYS B 15 10.713 -5.313 -9.038 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 13.025 -5.785 -9.524 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 12.260 -5.153 -10.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 13.297 -4.173 -9.982 1.00 0.00 H new ATOM 964 N GLU B 16 8.760 -2.181 -4.239 1.00 0.00 N ATOM 965 CA GLU B 16 7.810 -2.637 -3.234 1.00 0.00 C ATOM 966 C GLU B 16 7.009 -1.472 -2.663 1.00 0.00 C ATOM 967 O GLU B 16 5.835 -1.627 -2.333 1.00 0.00 O ATOM 968 CB GLU B 16 8.539 -3.370 -2.107 1.00 0.00 C ATOM 969 CG GLU B 16 8.522 -4.882 -2.256 1.00 0.00 C ATOM 970 CD GLU B 16 7.129 -5.466 -2.116 1.00 0.00 C ATOM 971 OE1 GLU B 16 6.316 -5.291 -3.048 1.00 0.00 O ATOM 972 OE2 GLU B 16 6.852 -6.098 -1.075 1.00 0.00 O ATOM 0 H GLU B 16 9.710 -2.051 -3.893 1.00 0.00 H new ATOM 0 HA GLU B 16 7.116 -3.324 -3.718 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.573 -3.028 -2.072 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.082 -3.102 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU B 16 8.929 -5.152 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU B 16 9.175 -5.325 -1.504 1.00 0.00 H new ATOM 979 N ILE B 17 7.639 -0.304 -2.553 1.00 0.00 N ATOM 980 CA ILE B 17 6.957 0.873 -2.026 1.00 0.00 C ATOM 981 C ILE B 17 6.073 1.503 -3.098 1.00 0.00 C ATOM 982 O ILE B 17 5.008 2.044 -2.800 1.00 0.00 O ATOM 983 CB ILE B 17 7.963 1.918 -1.493 1.00 0.00 C ATOM 984 CG1 ILE B 17 7.241 3.200 -1.059 1.00 0.00 C ATOM 985 CG2 ILE B 17 9.018 2.226 -2.547 1.00 0.00 C ATOM 986 CD1 ILE B 17 8.177 4.339 -0.715 1.00 0.00 C ATOM 0 H ILE B 17 8.611 -0.149 -2.819 1.00 0.00 H new ATOM 0 HA ILE B 17 6.333 0.546 -1.194 1.00 0.00 H new ATOM 0 HB ILE B 17 8.460 1.498 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE B 17 6.573 3.519 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE B 17 6.617 2.980 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.719 2.964 -2.156 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.556 1.313 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.535 2.622 -3.440 1.00 0.00 H new ATOM 0 HD11 ILE B 17 7.595 5.211 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE B 17 8.828 4.040 0.106 1.00 0.00 H new ATOM 0 HD13 ILE B 17 8.783 4.588 -1.586 1.00 0.00 H new ATOM 998 N GLU B 18 6.516 1.418 -4.346 1.00 0.00 N ATOM 999 CA GLU B 18 5.758 1.969 -5.461 1.00 0.00 C ATOM 1000 C GLU B 18 4.619 1.033 -5.848 1.00 0.00 C ATOM 1001 O GLU B 18 3.530 1.479 -6.212 1.00 0.00 O ATOM 1002 CB GLU B 18 6.674 2.205 -6.663 1.00 0.00 C ATOM 1003 CG GLU B 18 7.798 3.190 -6.390 1.00 0.00 C ATOM 1004 CD GLU B 18 7.533 4.558 -6.989 1.00 0.00 C ATOM 1005 OE1 GLU B 18 6.647 5.271 -6.474 1.00 0.00 O ATOM 1006 OE2 GLU B 18 8.213 4.914 -7.974 1.00 0.00 O ATOM 0 H GLU B 18 7.395 0.973 -4.611 1.00 0.00 H new ATOM 0 HA GLU B 18 5.334 2.923 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.105 1.253 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.076 2.571 -7.498 1.00 0.00 H new ATOM 0 HG2 GLU B 18 7.936 3.289 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU B 18 8.729 2.794 -6.795 1.00 0.00 H new ATOM 1013 N ARG B 19 4.875 -0.269 -5.759 1.00 0.00 N ATOM 1014 CA ARG B 19 3.867 -1.266 -6.095 1.00 0.00 C ATOM 1015 C ARG B 19 2.818 -1.362 -4.995 1.00 0.00 C ATOM 1016 O ARG B 19 1.642 -1.608 -5.265 1.00 0.00 O ATOM 1017 CB ARG B 19 4.519 -2.632 -6.319 1.00 0.00 C ATOM 1018 CG ARG B 19 5.287 -2.733 -7.626 1.00 0.00 C ATOM 1019 CD ARG B 19 4.348 -2.833 -8.818 1.00 0.00 C ATOM 1020 NE ARG B 19 4.406 -4.147 -9.451 1.00 0.00 N ATOM 1021 CZ ARG B 19 5.488 -4.623 -10.062 1.00 0.00 C ATOM 1022 NH1 ARG B 19 6.595 -3.894 -10.116 1.00 0.00 N ATOM 1023 NH2 ARG B 19 5.463 -5.827 -10.615 1.00 0.00 N ATOM 0 H ARG B 19 5.769 -0.656 -5.458 1.00 0.00 H new ATOM 0 HA ARG B 19 3.376 -0.955 -7.017 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.197 -2.841 -5.492 1.00 0.00 H new ATOM 0 HB3 ARG B 19 3.747 -3.401 -6.301 1.00 0.00 H new ATOM 0 HG2 ARG B 19 5.930 -1.860 -7.740 1.00 0.00 H new ATOM 0 HG3 ARG B 19 5.938 -3.607 -7.600 1.00 0.00 H new ATOM 0 HD2 ARG B 19 3.327 -2.632 -8.493 1.00 0.00 H new ATOM 0 HD3 ARG B 19 4.607 -2.067 -9.549 1.00 0.00 H new ATOM 0 HE ARG B 19 3.571 -4.733 -9.423 1.00 0.00 H new ATOM 0 HH11 ARG B 19 6.617 -2.968 -9.689 1.00 0.00 H new ATOM 0 HH12 ARG B 19 7.424 -4.260 -10.585 1.00 0.00 H new ATOM 0 HH21 ARG B 19 4.614 -6.390 -10.573 1.00 0.00 H new ATOM 0 HH22 ARG B 19 6.293 -6.191 -11.083 1.00 0.00 H new ATOM 1037 N LEU B 20 3.247 -1.159 -3.753 1.00 0.00 N ATOM 1038 CA LEU B 20 2.335 -1.217 -2.621 1.00 0.00 C ATOM 1039 C LEU B 20 1.431 0.007 -2.616 1.00 0.00 C ATOM 1040 O LEU B 20 0.255 -0.078 -2.261 1.00 0.00 O ATOM 1041 CB LEU B 20 3.113 -1.304 -1.306 1.00 0.00 C ATOM 1042 CG LEU B 20 3.409 -2.724 -0.813 1.00 0.00 C ATOM 1043 CD1 LEU B 20 2.184 -3.316 -0.134 1.00 0.00 C ATOM 1044 CD2 LEU B 20 3.863 -3.612 -1.963 1.00 0.00 C ATOM 0 H LEU B 20 4.216 -0.954 -3.508 1.00 0.00 H new ATOM 0 HA LEU B 20 1.720 -2.112 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.058 -0.775 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.550 -0.779 -0.534 1.00 0.00 H new ATOM 0 HG LEU B 20 4.218 -2.671 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.411 -4.325 0.210 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.905 -2.696 0.718 1.00 0.00 H new ATOM 0 HD13 LEU B 20 1.357 -3.352 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU B 20 4.067 -4.615 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU B 20 3.078 -3.659 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU B 20 4.769 -3.198 -2.406 1.00 0.00 H new ATOM 1056 N GLN B 21 1.986 1.145 -3.024 1.00 0.00 N ATOM 1057 CA GLN B 21 1.227 2.388 -3.076 1.00 0.00 C ATOM 1058 C GLN B 21 0.098 2.283 -4.096 1.00 0.00 C ATOM 1059 O GLN B 21 -1.038 2.670 -3.821 1.00 0.00 O ATOM 1060 CB GLN B 21 2.145 3.559 -3.431 1.00 0.00 C ATOM 1061 CG GLN B 21 2.364 4.530 -2.282 1.00 0.00 C ATOM 1062 CD GLN B 21 3.001 5.830 -2.731 1.00 0.00 C ATOM 1063 OE1 GLN B 21 2.311 6.813 -2.999 1.00 0.00 O ATOM 1064 NE2 GLN B 21 4.326 5.842 -2.815 1.00 0.00 N ATOM 0 H GLN B 21 2.957 1.231 -3.323 1.00 0.00 H new ATOM 0 HA GLN B 21 0.794 2.566 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN B 21 3.110 3.168 -3.755 1.00 0.00 H new ATOM 0 HB3 GLN B 21 1.720 4.100 -4.277 1.00 0.00 H new ATOM 0 HG2 GLN B 21 1.408 4.744 -1.805 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.998 4.060 -1.530 1.00 0.00 H new ATOM 0 HE21 GLN B 21 4.859 5.004 -2.583 1.00 0.00 H new ATOM 0 HE22 GLN B 21 4.811 6.689 -3.111 1.00 0.00 H new ATOM 1073 N LYS B 22 0.417 1.752 -5.273 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.577 1.593 -6.328 1.00 0.00 C ATOM 1075 C LYS B 22 -1.682 0.640 -5.885 1.00 0.00 C ATOM 1076 O LYS B 22 -2.855 0.836 -6.209 1.00 0.00 O ATOM 1077 CB LYS B 22 0.083 1.071 -7.606 1.00 0.00 C ATOM 1078 CG LYS B 22 0.258 2.135 -8.678 1.00 0.00 C ATOM 1079 CD LYS B 22 1.727 2.403 -8.962 1.00 0.00 C ATOM 1080 CE LYS B 22 2.334 1.312 -9.829 1.00 0.00 C ATOM 1081 NZ LYS B 22 2.255 1.646 -11.279 1.00 0.00 N ATOM 0 H LYS B 22 1.352 1.426 -5.519 1.00 0.00 H new ATOM 0 HA LYS B 22 -1.019 2.568 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.059 0.654 -7.357 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -0.518 0.256 -8.009 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -0.238 1.815 -9.594 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.226 3.058 -8.359 1.00 0.00 H new ATOM 0 HD2 LYS B 22 1.833 3.367 -9.461 1.00 0.00 H new ATOM 0 HD3 LYS B 22 2.274 2.469 -8.022 1.00 0.00 H new ATOM 0 HE2 LYS B 22 3.376 1.162 -9.547 1.00 0.00 H new ATOM 0 HE3 LYS B 22 1.816 0.371 -9.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 2.679 0.877 -11.836 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 1.259 1.764 -11.554 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 2.771 2.530 -11.460 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.300 -0.392 -5.142 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.255 -1.379 -4.651 1.00 0.00 C ATOM 1097 C GLU B 23 -3.256 -0.741 -3.692 1.00 0.00 C ATOM 1098 O GLU B 23 -4.451 -1.041 -3.738 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.523 -2.526 -3.952 1.00 0.00 C ATOM 1100 CG GLU B 23 -2.342 -3.803 -3.859 1.00 0.00 C ATOM 1101 CD GLU B 23 -2.393 -4.559 -5.172 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -1.474 -4.377 -5.999 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -3.351 -5.334 -5.375 1.00 0.00 O ATOM 0 H GLU B 23 -0.334 -0.567 -4.866 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.801 -1.774 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.598 -2.736 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.244 -2.209 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -1.918 -4.447 -3.089 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -3.357 -3.558 -3.545 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.767 0.142 -2.826 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.636 0.814 -1.866 1.00 0.00 C ATOM 1112 C ILE B 24 -4.676 1.662 -2.600 1.00 0.00 C ATOM 1113 O ILE B 24 -5.836 1.733 -2.196 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.835 1.676 -0.837 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.677 3.135 -1.290 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.466 1.068 -0.570 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.846 4.009 -0.892 1.00 0.00 C ATOM 0 H ILE B 24 -1.784 0.407 -2.769 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.148 0.042 -1.292 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.416 1.677 0.085 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.762 3.545 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.563 3.163 -2.374 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.928 1.686 0.149 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.587 0.063 -0.166 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.902 1.020 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.674 5.027 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.760 3.621 -1.341 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -3.947 4.009 0.193 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.242 2.300 -3.685 1.00 0.00 N ATOM 1130 CA GLU B 25 -5.124 3.138 -4.485 1.00 0.00 C ATOM 1131 C GLU B 25 -6.300 2.325 -5.012 1.00 0.00 C ATOM 1132 O GLU B 25 -7.447 2.768 -4.956 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.354 3.761 -5.651 1.00 0.00 C ATOM 1134 CG GLU B 25 -5.042 4.972 -6.257 1.00 0.00 C ATOM 1135 CD GLU B 25 -4.423 6.282 -5.807 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -3.669 6.269 -4.811 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -4.692 7.317 -6.449 1.00 0.00 O ATOM 0 H GLU B 25 -3.283 2.251 -4.028 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.508 3.936 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.362 4.052 -5.306 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.213 3.008 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.994 4.906 -7.344 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -6.097 4.960 -5.983 1.00 0.00 H new ATOM 1144 N ARG B 26 -6.008 1.131 -5.519 1.00 0.00 N ATOM 1145 CA ARG B 26 -7.046 0.254 -6.045 1.00 0.00 C ATOM 1146 C ARG B 26 -8.117 0.014 -4.988 1.00 0.00 C ATOM 1147 O ARG B 26 -9.313 0.166 -5.249 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.444 -1.078 -6.493 1.00 0.00 C ATOM 1149 CG ARG B 26 -7.078 -1.638 -7.756 1.00 0.00 C ATOM 1150 CD ARG B 26 -6.358 -2.889 -8.234 1.00 0.00 C ATOM 1151 NE ARG B 26 -6.804 -3.303 -9.561 1.00 0.00 N ATOM 1152 CZ ARG B 26 -6.178 -4.216 -10.297 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -5.083 -4.806 -9.835 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -6.645 -4.540 -11.494 1.00 0.00 N ATOM 0 H ARG B 26 -5.063 0.750 -5.576 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.503 0.738 -6.908 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.375 -0.946 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.553 -1.805 -5.688 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -8.126 -1.870 -7.566 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -7.056 -0.882 -8.541 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -5.284 -2.704 -8.254 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -6.529 -3.699 -7.525 1.00 0.00 H new ATOM 0 HE ARG B 26 -7.643 -2.867 -9.945 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -4.721 -4.559 -8.914 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -4.604 -5.506 -10.401 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -7.486 -4.089 -11.852 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -6.163 -5.241 -12.057 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.678 -0.350 -3.788 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.598 -0.596 -2.686 1.00 0.00 C ATOM 1170 C HIS B 27 -9.351 0.680 -2.327 1.00 0.00 C ATOM 1171 O HIS B 27 -10.464 0.632 -1.804 1.00 0.00 O ATOM 1172 CB HIS B 27 -7.838 -1.118 -1.465 1.00 0.00 C ATOM 1173 CG HIS B 27 -7.878 -2.608 -1.328 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -9.028 -3.306 -1.019 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -6.901 -3.537 -1.460 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -8.757 -4.598 -0.967 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -7.474 -4.764 -1.232 1.00 0.00 N ATOM 0 H HIS B 27 -6.694 -0.481 -3.555 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.319 -1.351 -3.000 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.799 -0.795 -1.528 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.258 -0.667 -0.566 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -5.865 -3.348 -1.700 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -9.464 -5.384 -0.746 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -6.987 -5.660 -1.262 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.735 1.823 -2.618 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.341 3.118 -2.334 1.00 0.00 C ATOM 1188 C LYS B 28 -10.442 3.430 -3.340 1.00 0.00 C ATOM 1189 O LYS B 28 -11.375 4.177 -3.043 1.00 0.00 O ATOM 1190 CB LYS B 28 -8.280 4.219 -2.366 1.00 0.00 C ATOM 1191 CG LYS B 28 -8.839 5.611 -2.115 1.00 0.00 C ATOM 1192 CD LYS B 28 -7.813 6.688 -2.427 1.00 0.00 C ATOM 1193 CE LYS B 28 -6.629 6.622 -1.475 1.00 0.00 C ATOM 1194 NZ LYS B 28 -6.935 7.259 -0.164 1.00 0.00 N ATOM 0 H LYS B 28 -7.813 1.877 -3.052 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.781 3.077 -1.338 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.520 4.001 -1.616 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.784 4.205 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.727 5.764 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -9.152 5.696 -1.075 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.463 6.573 -3.453 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -8.282 7.670 -2.359 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -6.348 5.581 -1.316 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -5.771 7.118 -1.928 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -6.373 6.803 0.583 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.699 8.271 -0.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -7.947 7.148 0.048 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.327 2.854 -4.532 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.314 3.068 -5.582 1.00 0.00 C ATOM 1210 C GLN B 29 -12.565 2.239 -5.321 1.00 0.00 C ATOM 1211 O GLN B 29 -13.679 2.662 -5.629 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.724 2.710 -6.947 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.588 3.148 -8.117 1.00 0.00 C ATOM 1214 CD GLN B 29 -10.898 2.964 -9.454 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -10.209 1.969 -9.678 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -11.079 3.926 -10.352 1.00 0.00 N ATOM 0 H GLN B 29 -9.560 2.235 -4.794 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.590 4.123 -5.582 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.740 3.170 -7.040 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.577 1.631 -6.998 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -12.517 2.578 -8.111 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -11.857 4.197 -7.993 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -11.658 4.734 -10.124 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -10.639 3.857 -11.269 1.00 0.00 H new ATOM 1225 N SER B 30 -12.374 1.054 -4.748 1.00 0.00 N ATOM 1226 CA SER B 30 -13.491 0.167 -4.443 1.00 0.00 C ATOM 1227 C SER B 30 -14.252 0.656 -3.214 1.00 0.00 C ATOM 1228 O SER B 30 -15.482 0.614 -3.177 1.00 0.00 O ATOM 1229 CB SER B 30 -12.989 -1.260 -4.214 1.00 0.00 C ATOM 1230 OG SER B 30 -12.884 -1.967 -5.437 1.00 0.00 O ATOM 0 H SER B 30 -11.459 0.687 -4.486 1.00 0.00 H new ATOM 0 HA SER B 30 -14.171 0.172 -5.295 1.00 0.00 H new ATOM 0 HB2 SER B 30 -12.017 -1.232 -3.722 1.00 0.00 H new ATOM 0 HB3 SER B 30 -13.670 -1.785 -3.544 1.00 0.00 H new ATOM 0 HG SER B 30 -12.560 -2.875 -5.263 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.513 1.120 -2.213 1.00 0.00 N ATOM 1237 CA ILE B 31 -14.114 1.620 -0.981 1.00 0.00 C ATOM 1238 C ILE B 31 -14.688 3.018 -1.187 1.00 0.00 C ATOM 1239 O ILE B 31 -15.635 3.418 -0.508 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.079 1.645 0.165 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.674 2.235 1.448 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -11.847 2.432 -0.250 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.476 1.244 2.262 1.00 0.00 C ATOM 0 H ILE B 31 -12.494 1.161 -2.230 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.924 0.943 -0.709 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.791 0.614 0.372 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -12.866 2.628 2.065 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.314 3.078 1.186 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.128 2.440 0.569 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.395 1.966 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.133 3.456 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -14.864 1.736 3.154 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.306 0.869 1.664 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.836 0.412 2.556 1.00 0.00 H new ATOM 1255 N LYS B 32 -14.115 3.755 -2.133 1.00 0.00 N ATOM 1256 CA LYS B 32 -14.576 5.105 -2.431 1.00 0.00 C ATOM 1257 C LYS B 32 -15.780 5.073 -3.366 1.00 0.00 C ATOM 1258 O LYS B 32 -16.627 5.967 -3.334 1.00 0.00 O ATOM 1259 CB LYS B 32 -13.447 5.926 -3.060 1.00 0.00 C ATOM 1260 CG LYS B 32 -13.866 7.331 -3.456 1.00 0.00 C ATOM 1261 CD LYS B 32 -13.994 8.238 -2.243 1.00 0.00 C ATOM 1262 CE LYS B 32 -12.632 8.621 -1.688 1.00 0.00 C ATOM 1263 NZ LYS B 32 -12.423 10.095 -1.698 1.00 0.00 N ATOM 0 H LYS B 32 -13.332 3.440 -2.705 1.00 0.00 H new ATOM 0 HA LYS B 32 -14.878 5.575 -1.495 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -12.618 5.988 -2.355 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -13.077 5.404 -3.942 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -13.134 7.748 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -14.819 7.292 -3.984 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -14.543 9.139 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -14.574 7.734 -1.470 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -12.538 8.248 -0.668 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -11.851 8.140 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.483 10.315 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -12.488 10.448 -2.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -13.152 10.553 -1.115 1.00 0.00 H new ATOM 1277 N LYS B 33 -15.851 4.038 -4.195 1.00 0.00 N ATOM 1278 CA LYS B 33 -16.955 3.889 -5.135 1.00 0.00 C ATOM 1279 C LYS B 33 -18.171 3.284 -4.445 1.00 0.00 C ATOM 1280 O LYS B 33 -19.312 3.602 -4.779 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.535 3.012 -6.317 1.00 0.00 C ATOM 1282 CG LYS B 33 -17.595 2.904 -7.400 1.00 0.00 C ATOM 1283 CD LYS B 33 -17.295 1.765 -8.361 1.00 0.00 C ATOM 1284 CE LYS B 33 -18.317 1.700 -9.484 1.00 0.00 C ATOM 1285 NZ LYS B 33 -17.680 1.828 -10.824 1.00 0.00 N ATOM 0 H LYS B 33 -15.158 3.291 -4.235 1.00 0.00 H new ATOM 0 HA LYS B 33 -17.221 4.879 -5.506 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -15.622 3.417 -6.753 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -16.298 2.013 -5.951 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.571 2.747 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -17.650 3.842 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -16.298 1.896 -8.782 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -17.290 0.820 -7.817 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -18.858 0.755 -9.428 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -19.051 2.496 -9.353 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -18.411 1.779 -11.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -17.185 2.740 -10.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -16.998 1.054 -10.960 1.00 0.00 H new ATOM 1299 N LEU B 34 -17.919 2.410 -3.476 1.00 0.00 N ATOM 1300 CA LEU B 34 -18.991 1.763 -2.732 1.00 0.00 C ATOM 1301 C LEU B 34 -19.540 2.699 -1.661 1.00 0.00 C ATOM 1302 O LEU B 34 -20.724 2.648 -1.325 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.489 0.469 -2.091 1.00 0.00 C ATOM 1304 CG LEU B 34 -19.021 -0.818 -2.725 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -17.872 -1.718 -3.153 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -19.939 -1.548 -1.756 1.00 0.00 C ATOM 0 H LEU B 34 -16.980 2.134 -3.188 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.794 1.522 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.400 0.456 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -18.761 0.475 -1.036 1.00 0.00 H new ATOM 0 HG LEU B 34 -19.597 -0.553 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -18.270 -2.628 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -17.252 -1.195 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -17.269 -1.976 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -20.309 -2.461 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -19.386 -1.801 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -20.781 -0.906 -1.499 1.00 0.00 H new ATOM 1318 N LYS B 35 -18.673 3.555 -1.130 1.00 0.00 N ATOM 1319 CA LYS B 35 -19.072 4.505 -0.099 1.00 0.00 C ATOM 1320 C LYS B 35 -19.778 5.708 -0.717 1.00 0.00 C ATOM 1321 O LYS B 35 -20.658 6.307 -0.101 1.00 0.00 O ATOM 1322 CB LYS B 35 -17.851 4.967 0.698 1.00 0.00 C ATOM 1323 CG LYS B 35 -18.202 5.611 2.030 1.00 0.00 C ATOM 1324 CD LYS B 35 -18.237 7.127 1.924 1.00 0.00 C ATOM 1325 CE LYS B 35 -16.877 7.736 2.227 1.00 0.00 C ATOM 1326 NZ LYS B 35 -16.990 8.935 3.104 1.00 0.00 N ATOM 0 H LYS B 35 -17.690 3.610 -1.397 1.00 0.00 H new ATOM 0 HA LYS B 35 -19.767 4.005 0.575 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -17.200 4.112 0.878 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -17.284 5.679 0.098 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -19.172 5.246 2.367 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -17.471 5.315 2.782 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -18.551 7.416 0.921 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -18.978 7.525 2.617 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -16.245 6.991 2.710 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -16.387 8.013 1.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -16.042 9.321 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -17.572 9.656 2.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -17.434 8.666 4.005 1.00 0.00 H new ATOM 1340 N GLN B 36 -19.385 6.054 -1.939 1.00 0.00 N ATOM 1341 CA GLN B 36 -19.982 7.184 -2.642 1.00 0.00 C ATOM 1342 C GLN B 36 -21.314 6.787 -3.269 1.00 0.00 C ATOM 1343 O GLN B 36 -22.208 7.618 -3.430 1.00 0.00 O ATOM 1344 CB GLN B 36 -19.030 7.701 -3.720 1.00 0.00 C ATOM 1345 CG GLN B 36 -19.620 8.816 -4.569 1.00 0.00 C ATOM 1346 CD GLN B 36 -19.615 8.487 -6.049 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -18.740 7.769 -6.533 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -20.593 9.012 -6.775 1.00 0.00 N ATOM 0 H GLN B 36 -18.656 5.569 -2.462 1.00 0.00 H new ATOM 0 HA GLN B 36 -20.163 7.979 -1.918 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -18.118 8.061 -3.245 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -18.746 6.873 -4.369 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -20.643 9.010 -4.247 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -19.054 9.733 -4.402 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -21.297 9.602 -6.332 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -20.641 8.826 -7.777 1.00 0.00 H new ATOM 1357 N SER B 37 -21.440 5.511 -3.621 1.00 0.00 N ATOM 1358 CA SER B 37 -22.663 5.003 -4.229 1.00 0.00 C ATOM 1359 C SER B 37 -23.729 4.744 -3.169 1.00 0.00 C ATOM 1360 O SER B 37 -24.926 4.815 -3.449 1.00 0.00 O ATOM 1361 CB SER B 37 -22.375 3.717 -5.005 1.00 0.00 C ATOM 1362 OG SER B 37 -23.331 3.515 -6.032 1.00 0.00 O ATOM 0 H SER B 37 -20.709 4.811 -3.495 1.00 0.00 H new ATOM 0 HA SER B 37 -23.038 5.759 -4.919 1.00 0.00 H new ATOM 0 HB2 SER B 37 -21.376 3.766 -5.438 1.00 0.00 H new ATOM 0 HB3 SER B 37 -22.385 2.867 -4.323 1.00 0.00 H new ATOM 0 HG SER B 37 -23.123 2.687 -6.514 1.00 0.00 H new ATOM 1368 N GLU B 38 -23.285 4.443 -1.954 1.00 0.00 N ATOM 1369 CA GLU B 38 -24.202 4.175 -0.852 1.00 0.00 C ATOM 1370 C GLU B 38 -24.776 5.473 -0.293 1.00 0.00 C ATOM 1371 O GLU B 38 -25.869 5.488 0.271 1.00 0.00 O ATOM 1372 CB GLU B 38 -23.486 3.401 0.257 1.00 0.00 C ATOM 1373 CG GLU B 38 -24.161 2.087 0.614 1.00 0.00 C ATOM 1374 CD GLU B 38 -24.261 1.870 2.111 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -24.173 2.864 2.862 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -24.426 0.706 2.533 1.00 0.00 O ATOM 0 H GLU B 38 -22.297 4.378 -1.707 1.00 0.00 H new ATOM 0 HA GLU B 38 -25.025 3.571 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.461 3.201 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -23.432 4.026 1.148 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -25.161 2.067 0.180 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -23.603 1.264 0.168 1.00 0.00 H new ATOM 1383 N ASP B 39 -24.031 6.561 -0.456 1.00 0.00 N ATOM 1384 CA ASP B 39 -24.465 7.865 0.030 1.00 0.00 C ATOM 1385 C ASP B 39 -25.492 8.483 -0.913 1.00 0.00 C ATOM 1386 O ASP B 39 -26.312 9.305 -0.504 1.00 0.00 O ATOM 1387 CB ASP B 39 -23.266 8.803 0.183 1.00 0.00 C ATOM 1388 CG ASP B 39 -22.556 8.621 1.511 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -23.246 8.567 2.551 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -21.310 8.534 1.510 1.00 0.00 O ATOM 0 H ASP B 39 -23.123 6.565 -0.921 1.00 0.00 H new ATOM 0 HA ASP B 39 -24.932 7.723 1.005 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -22.562 8.624 -0.630 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -23.602 9.836 0.092 1.00 0.00 H new ATOM 1395 N ASP B 40 -25.439 8.083 -2.180 1.00 0.00 N ATOM 1396 CA ASP B 40 -26.364 8.598 -3.183 1.00 0.00 C ATOM 1397 C ASP B 40 -26.196 10.105 -3.356 1.00 0.00 C ATOM 1398 O ASP B 40 -27.107 10.878 -3.060 1.00 0.00 O ATOM 1399 CB ASP B 40 -27.807 8.276 -2.789 1.00 0.00 C ATOM 1400 CG ASP B 40 -28.281 6.955 -3.364 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -27.756 5.903 -2.945 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -29.176 6.974 -4.235 1.00 0.00 O ATOM 0 H ASP B 40 -24.766 7.404 -2.536 1.00 0.00 H new ATOM 0 HA ASP B 40 -26.137 8.114 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -27.886 8.246 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -28.462 9.076 -3.134 1.00 0.00 H new ATOM 1407 N ASP B 41 -25.027 10.513 -3.837 1.00 0.00 N ATOM 1408 CA ASP B 41 -24.739 11.926 -4.050 1.00 0.00 C ATOM 1409 C ASP B 41 -25.049 12.739 -2.797 1.00 0.00 C ATOM 1410 O ASP B 41 -25.244 12.126 -1.728 1.00 0.00 O ATOM 1411 CB ASP B 41 -25.550 12.460 -5.232 1.00 0.00 C ATOM 1412 CG ASP B 41 -25.625 11.468 -6.377 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -24.618 11.322 -7.102 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -26.689 10.840 -6.550 1.00 0.00 O ATOM 1415 OXT ASP B 41 -25.095 13.984 -2.898 1.00 0.00 O ATOM 0 H ASP B 41 -24.263 9.885 -4.087 1.00 0.00 H new ATOM 0 HA ASP B 41 -23.677 12.026 -4.272 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -26.559 12.701 -4.897 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -25.101 13.388 -5.587 1.00 0.00 H new TER 1420 ASP B 41