USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 607 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 63 TYR OH : rot 180:sc= -0.0736 USER MOD Set 1.2: A 67 MET CE :methyl 136:sc= -6.76! (180deg=-8.81!) USER MOD Set 2.1: A 61 GLN :FLIP amide:sc= -0.101 F(o=-12,f=-10) USER MOD Set 2.2: A 64 HIS : no HE2:sc= -10.3! C(o=-10!,f=-18!) USER MOD Set 3.1: A 27 ASN :FLIP amide:sc= -2.83 F(o=-5.1!,f=-2.8) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 2 SER OG : rot -23:sc= -0.359 USER MOD Set 4.2: A 4 MET CE :methyl -123:sc= -1.47 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-1.4) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -150:sc=-0.00223 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 13 MET CE :methyl -170:sc= -2.02 (180deg=-2.41!) USER MOD Single : A 17 ASN : amide:sc= -0.0881 K(o=-0.088,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 174:sc= -0.81 USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= -0.373 (180deg=-0.976) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 141:sc= -3.4 USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -0.0317 (180deg=-0.313) USER MOD Single : A 42 MET CE :methyl -165:sc= -5.81! (180deg=-7.19!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.546) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= 1.15 (180deg=0.66) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -2.04 K(o=-2,f=-2.7) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -2.785 -20.761 16.287 1.00 0.00 N ATOM 2 CA SER A 2 -4.085 -21.049 15.692 1.00 0.00 C ATOM 3 C SER A 2 -4.781 -19.763 15.257 1.00 0.00 C ATOM 4 O SER A 2 -4.833 -19.446 14.069 1.00 0.00 O ATOM 5 CB SER A 2 -4.965 -21.809 16.685 1.00 0.00 C ATOM 6 OG SER A 2 -4.656 -21.452 18.021 1.00 0.00 O ATOM 0 HA SER A 2 -3.925 -21.669 14.810 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.015 -21.596 16.482 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.826 -22.882 16.551 1.00 0.00 H new ATOM 0 HG SER A 2 -3.745 -21.094 18.061 1.00 0.00 H new ATOM 12 N HIS A 3 -5.313 -19.027 16.227 1.00 0.00 N ATOM 13 CA HIS A 3 -6.006 -17.775 15.944 1.00 0.00 C ATOM 14 C HIS A 3 -6.366 -17.048 17.236 1.00 0.00 C ATOM 15 O HIS A 3 -7.506 -17.107 17.696 1.00 0.00 O ATOM 16 CB HIS A 3 -7.270 -18.042 15.124 1.00 0.00 C ATOM 17 CG HIS A 3 -7.065 -17.913 13.647 1.00 0.00 C ATOM 18 ND1 HIS A 3 -7.682 -18.734 12.727 1.00 0.00 N ATOM 19 CD2 HIS A 3 -6.304 -17.053 12.930 1.00 0.00 C ATOM 20 CE1 HIS A 3 -7.309 -18.385 11.509 1.00 0.00 C ATOM 21 NE2 HIS A 3 -6.474 -17.367 11.605 1.00 0.00 N ATOM 0 H HIS A 3 -5.278 -19.275 17.216 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.335 -17.139 15.367 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.631 -19.046 15.346 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -8.049 -17.347 15.436 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.679 -16.266 13.327 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.632 -18.853 10.591 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.027 -16.891 10.821 1.00 0.00 H new ATOM 30 N MET A 4 -5.387 -16.365 17.817 1.00 0.00 N ATOM 31 CA MET A 4 -5.600 -15.626 19.057 1.00 0.00 C ATOM 32 C MET A 4 -5.775 -14.133 18.778 1.00 0.00 C ATOM 33 O MET A 4 -4.865 -13.486 18.260 1.00 0.00 O ATOM 34 CB MET A 4 -4.425 -15.842 20.011 1.00 0.00 C ATOM 35 CG MET A 4 -4.462 -17.181 20.730 1.00 0.00 C ATOM 36 SD MET A 4 -4.135 -18.570 19.629 1.00 0.00 S ATOM 37 CE MET A 4 -5.610 -19.556 19.879 1.00 0.00 C ATOM 0 H MET A 4 -4.437 -16.307 17.450 1.00 0.00 H new ATOM 0 HA MET A 4 -6.512 -16.001 19.522 1.00 0.00 H new ATOM 0 HB2 MET A 4 -3.494 -15.766 19.450 1.00 0.00 H new ATOM 0 HB3 MET A 4 -4.417 -15.042 20.751 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.725 -17.178 21.533 1.00 0.00 H new ATOM 0 HG3 MET A 4 -5.439 -17.313 21.194 1.00 0.00 H new ATOM 0 HE1 MET A 4 -5.328 -20.555 20.211 1.00 0.00 H new ATOM 0 HE2 MET A 4 -6.238 -19.086 20.636 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.163 -19.628 18.942 1.00 0.00 H new ATOM 47 N PRO A 5 -6.954 -13.565 19.107 1.00 0.00 N ATOM 48 CA PRO A 5 -7.235 -12.145 18.877 1.00 0.00 C ATOM 49 C PRO A 5 -6.242 -11.220 19.594 1.00 0.00 C ATOM 50 O PRO A 5 -5.055 -11.531 19.649 1.00 0.00 O ATOM 51 CB PRO A 5 -8.663 -11.957 19.392 1.00 0.00 C ATOM 52 CG PRO A 5 -8.940 -13.145 20.248 1.00 0.00 C ATOM 53 CD PRO A 5 -8.098 -14.263 19.710 1.00 0.00 C ATOM 0 HA PRO A 5 -7.131 -11.879 17.825 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.755 -11.033 19.962 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.372 -11.895 18.567 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.692 -12.939 21.289 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.998 -13.407 20.218 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.782 -14.945 20.500 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -8.640 -14.857 18.974 1.00 0.00 H new ATOM 61 N LYS A 6 -6.710 -10.062 20.088 1.00 0.00 N ATOM 62 CA LYS A 6 -5.827 -9.080 20.730 1.00 0.00 C ATOM 63 C LYS A 6 -4.728 -8.723 19.746 1.00 0.00 C ATOM 64 O LYS A 6 -3.577 -9.137 19.888 1.00 0.00 O ATOM 65 CB LYS A 6 -5.256 -9.586 22.069 1.00 0.00 C ATOM 66 CG LYS A 6 -4.478 -10.890 21.994 1.00 0.00 C ATOM 67 CD LYS A 6 -3.757 -11.180 23.300 1.00 0.00 C ATOM 68 CE LYS A 6 -2.747 -10.094 23.633 1.00 0.00 C ATOM 69 NZ LYS A 6 -1.543 -10.645 24.313 1.00 0.00 N ATOM 0 H LYS A 6 -7.691 -9.785 20.054 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.403 -8.190 20.983 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.603 -8.816 22.480 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.080 -9.714 22.771 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.159 -11.709 21.763 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.754 -10.838 21.181 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.484 -11.262 24.108 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.249 -12.142 23.230 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.446 -9.585 22.717 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.215 -9.347 24.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.879 -9.873 24.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.827 -11.108 25.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.081 -11.340 23.692 1.00 0.00 H new ATOM 83 N ARG A 7 -5.129 -8.021 18.682 1.00 0.00 N ATOM 84 CA ARG A 7 -4.217 -7.690 17.597 1.00 0.00 C ATOM 85 C ARG A 7 -4.858 -6.725 16.590 1.00 0.00 C ATOM 86 O ARG A 7 -6.030 -6.396 16.712 1.00 0.00 O ATOM 87 CB ARG A 7 -3.887 -9.003 16.896 1.00 0.00 C ATOM 88 CG ARG A 7 -4.906 -10.106 17.210 1.00 0.00 C ATOM 89 CD ARG A 7 -5.000 -11.123 16.083 1.00 0.00 C ATOM 90 NE ARG A 7 -5.221 -10.486 14.788 1.00 0.00 N ATOM 91 CZ ARG A 7 -5.020 -11.092 13.620 1.00 0.00 C ATOM 92 NH1 ARG A 7 -4.592 -12.348 13.581 1.00 0.00 N ATOM 93 NH2 ARG A 7 -5.245 -10.440 12.487 1.00 0.00 N ATOM 0 H ARG A 7 -6.080 -7.674 18.554 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.330 -7.197 17.994 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.854 -8.838 15.819 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.893 -9.333 17.198 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.622 -10.611 18.133 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.886 -9.659 17.379 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.082 -11.709 16.046 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.814 -11.818 16.289 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.549 -9.520 14.778 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.415 -12.854 14.449 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.440 -12.807 12.683 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.572 -9.474 12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.091 -10.904 11.592 1.00 0.00 H new ATOM 107 N ALA A 8 -4.088 -6.304 15.577 1.00 0.00 N ATOM 108 CA ALA A 8 -4.602 -5.405 14.530 1.00 0.00 C ATOM 109 C ALA A 8 -3.503 -4.985 13.544 1.00 0.00 C ATOM 110 O ALA A 8 -2.408 -5.548 13.541 1.00 0.00 O ATOM 111 CB ALA A 8 -5.278 -4.177 15.133 1.00 0.00 C ATOM 0 H ALA A 8 -3.110 -6.569 15.459 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.350 -5.968 13.972 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.646 -3.535 14.333 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.113 -4.492 15.759 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.558 -3.626 15.739 1.00 0.00 H new ATOM 117 N THR A 9 -3.824 -4.008 12.693 1.00 0.00 N ATOM 118 CA THR A 9 -2.896 -3.511 11.670 1.00 0.00 C ATOM 119 C THR A 9 -2.304 -2.152 12.036 1.00 0.00 C ATOM 120 O THR A 9 -3.024 -1.240 12.426 1.00 0.00 O ATOM 121 CB THR A 9 -3.639 -3.359 10.343 1.00 0.00 C ATOM 122 OG1 THR A 9 -4.988 -2.986 10.568 1.00 0.00 O ATOM 123 CG2 THR A 9 -3.646 -4.610 9.505 1.00 0.00 C ATOM 0 H THR A 9 -4.730 -3.540 12.692 1.00 0.00 H new ATOM 0 HA THR A 9 -2.084 -4.234 11.594 1.00 0.00 H new ATOM 0 HB THR A 9 -3.095 -2.587 9.799 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.549 -3.338 9.846 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.191 -4.425 8.580 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.621 -4.897 9.271 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.131 -5.415 10.057 1.00 0.00 H new ATOM 131 N THR A 10 -0.993 -2.018 11.874 1.00 0.00 N ATOM 132 CA THR A 10 -0.303 -0.769 12.145 1.00 0.00 C ATOM 133 C THR A 10 -0.681 0.242 11.091 1.00 0.00 C ATOM 134 O THR A 10 -1.006 -0.126 9.963 1.00 0.00 O ATOM 135 CB THR A 10 1.215 -0.981 12.154 1.00 0.00 C ATOM 136 OG1 THR A 10 1.559 -2.182 11.480 1.00 0.00 O ATOM 137 CG2 THR A 10 1.800 -1.049 13.549 1.00 0.00 C ATOM 0 H THR A 10 -0.383 -2.770 11.553 1.00 0.00 H new ATOM 0 HA THR A 10 -0.599 -0.402 13.128 1.00 0.00 H new ATOM 0 HB THR A 10 1.633 -0.112 11.645 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.532 -2.298 11.495 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.878 -1.200 13.485 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.595 -0.117 14.075 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.349 -1.879 14.093 1.00 0.00 H new ATOM 145 N ALA A 11 -0.644 1.511 11.456 1.00 0.00 N ATOM 146 CA ALA A 11 -0.984 2.569 10.526 1.00 0.00 C ATOM 147 C ALA A 11 -0.327 2.285 9.188 1.00 0.00 C ATOM 148 O ALA A 11 -0.936 2.429 8.129 1.00 0.00 O ATOM 149 CB ALA A 11 -0.535 3.912 11.080 1.00 0.00 C ATOM 0 H ALA A 11 -0.382 1.832 12.388 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.064 2.607 10.386 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.794 4.702 10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.033 4.098 12.032 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.544 3.901 11.231 1.00 0.00 H new ATOM 155 N PHE A 12 0.935 1.889 9.262 1.00 0.00 N ATOM 156 CA PHE A 12 1.737 1.580 8.080 1.00 0.00 C ATOM 157 C PHE A 12 1.282 0.294 7.395 1.00 0.00 C ATOM 158 O PHE A 12 1.517 0.093 6.207 1.00 0.00 O ATOM 159 CB PHE A 12 3.193 1.421 8.516 1.00 0.00 C ATOM 160 CG PHE A 12 4.207 1.546 7.408 1.00 0.00 C ATOM 161 CD1 PHE A 12 3.892 2.159 6.203 1.00 0.00 C ATOM 162 CD2 PHE A 12 5.485 1.043 7.581 1.00 0.00 C ATOM 163 CE1 PHE A 12 4.835 2.262 5.200 1.00 0.00 C ATOM 164 CE2 PHE A 12 6.430 1.142 6.579 1.00 0.00 C ATOM 165 CZ PHE A 12 6.104 1.753 5.388 1.00 0.00 C ATOM 0 H PHE A 12 1.436 1.772 10.143 1.00 0.00 H new ATOM 0 HA PHE A 12 1.620 2.394 7.365 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.413 2.171 9.276 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.311 0.445 8.988 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.901 2.559 6.049 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.747 0.566 8.514 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.579 2.742 4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.422 0.742 6.729 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.841 1.834 4.602 1.00 0.00 H new ATOM 175 N MET A 13 0.666 -0.582 8.165 1.00 0.00 N ATOM 176 CA MET A 13 0.209 -1.858 7.656 1.00 0.00 C ATOM 177 C MET A 13 -1.148 -1.706 7.012 1.00 0.00 C ATOM 178 O MET A 13 -1.294 -1.872 5.802 1.00 0.00 O ATOM 179 CB MET A 13 0.152 -2.878 8.803 1.00 0.00 C ATOM 180 CG MET A 13 -0.621 -4.154 8.485 1.00 0.00 C ATOM 181 SD MET A 13 0.457 -5.552 8.130 1.00 0.00 S ATOM 182 CE MET A 13 1.751 -4.735 7.206 1.00 0.00 C ATOM 0 H MET A 13 0.470 -0.430 9.154 1.00 0.00 H new ATOM 0 HA MET A 13 0.907 -2.216 6.900 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.171 -3.147 9.083 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.302 -2.402 9.672 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.265 -4.403 9.328 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.271 -3.976 7.629 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.407 -5.482 6.759 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.307 -4.125 6.419 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.330 -4.098 7.875 1.00 0.00 H new ATOM 192 N LEU A 14 -2.146 -1.418 7.831 1.00 0.00 N ATOM 193 CA LEU A 14 -3.500 -1.278 7.348 1.00 0.00 C ATOM 194 C LEU A 14 -3.563 -0.423 6.089 1.00 0.00 C ATOM 195 O LEU A 14 -4.381 -0.675 5.202 1.00 0.00 O ATOM 196 CB LEU A 14 -4.415 -0.787 8.499 1.00 0.00 C ATOM 197 CG LEU A 14 -5.020 0.641 8.494 1.00 0.00 C ATOM 198 CD1 LEU A 14 -4.453 1.423 9.648 1.00 0.00 C ATOM 199 CD2 LEU A 14 -4.811 1.427 7.217 1.00 0.00 C ATOM 0 H LEU A 14 -2.038 -1.277 8.835 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.881 -2.251 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.249 -1.485 8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.845 -0.888 9.423 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.097 0.500 8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.875 2.428 9.649 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.703 0.923 10.584 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.369 1.485 9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.271 2.410 7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.743 1.543 7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.268 0.895 6.383 1.00 0.00 H new ATOM 211 N TRP A 15 -2.693 0.580 6.000 1.00 0.00 N ATOM 212 CA TRP A 15 -2.672 1.447 4.832 1.00 0.00 C ATOM 213 C TRP A 15 -1.867 0.801 3.735 1.00 0.00 C ATOM 214 O TRP A 15 -2.284 0.774 2.579 1.00 0.00 O ATOM 215 CB TRP A 15 -2.086 2.822 5.158 1.00 0.00 C ATOM 216 CG TRP A 15 -1.319 3.424 4.012 1.00 0.00 C ATOM 217 CD1 TRP A 15 -1.773 4.336 3.102 1.00 0.00 C ATOM 218 CD2 TRP A 15 0.035 3.136 3.646 1.00 0.00 C ATOM 219 NE1 TRP A 15 -0.778 4.641 2.201 1.00 0.00 N ATOM 220 CE2 TRP A 15 0.342 3.911 2.512 1.00 0.00 C ATOM 221 CE3 TRP A 15 1.023 2.299 4.169 1.00 0.00 C ATOM 222 CZ2 TRP A 15 1.600 3.859 1.903 1.00 0.00 C ATOM 223 CZ3 TRP A 15 2.252 2.263 3.550 1.00 0.00 C ATOM 224 CH2 TRP A 15 2.518 3.031 2.442 1.00 0.00 C ATOM 0 H TRP A 15 -2.002 0.808 6.715 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.702 1.591 4.504 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.894 3.497 5.441 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.427 2.734 6.022 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.768 4.757 3.091 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.860 5.302 1.428 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.827 1.693 5.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.828 4.459 1.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.023 1.618 3.943 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.496 2.969 1.987 1.00 0.00 H new ATOM 235 N LEU A 16 -0.722 0.249 4.106 1.00 0.00 N ATOM 236 CA LEU A 16 0.107 -0.418 3.132 1.00 0.00 C ATOM 237 C LEU A 16 -0.636 -1.600 2.578 1.00 0.00 C ATOM 238 O LEU A 16 -0.276 -2.129 1.558 1.00 0.00 O ATOM 239 CB LEU A 16 1.424 -0.910 3.710 1.00 0.00 C ATOM 240 CG LEU A 16 2.281 -1.652 2.687 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.749 -0.687 1.622 1.00 0.00 C ATOM 242 CD2 LEU A 16 3.469 -2.325 3.356 1.00 0.00 C ATOM 0 H LEU A 16 -0.356 0.252 5.058 1.00 0.00 H new ATOM 0 HA LEU A 16 0.336 0.314 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.985 -0.060 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.221 -1.570 4.553 1.00 0.00 H new ATOM 0 HG LEU A 16 1.676 -2.431 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.361 -1.218 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.885 -0.250 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.340 0.105 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.062 -2.846 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.085 -1.572 3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.112 -3.040 4.097 1.00 0.00 H new ATOM 254 N ASN A 17 -1.674 -2.011 3.265 1.00 0.00 N ATOM 255 CA ASN A 17 -2.474 -3.132 2.856 1.00 0.00 C ATOM 256 C ASN A 17 -3.335 -2.755 1.656 1.00 0.00 C ATOM 257 O ASN A 17 -3.271 -3.358 0.555 1.00 0.00 O ATOM 258 CB ASN A 17 -3.382 -3.476 4.050 1.00 0.00 C ATOM 259 CG ASN A 17 -3.473 -4.954 4.344 1.00 0.00 C ATOM 260 OD1 ASN A 17 -3.145 -5.795 3.508 1.00 0.00 O ATOM 261 ND2 ASN A 17 -3.926 -5.270 5.552 1.00 0.00 N ATOM 0 H ASN A 17 -1.987 -1.571 4.130 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.846 -3.976 2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.011 -2.962 4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.383 -3.092 3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.015 -6.249 5.823 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.185 -4.533 6.208 1.00 0.00 H new ATOM 268 N ASP A 18 -4.063 -1.675 1.869 1.00 0.00 N ATOM 269 CA ASP A 18 -4.926 -1.121 0.863 1.00 0.00 C ATOM 270 C ASP A 18 -4.124 -0.411 -0.194 1.00 0.00 C ATOM 271 O ASP A 18 -4.582 -0.258 -1.326 1.00 0.00 O ATOM 272 CB ASP A 18 -5.938 -0.162 1.491 1.00 0.00 C ATOM 273 CG ASP A 18 -7.331 -0.336 0.919 1.00 0.00 C ATOM 274 OD1 ASP A 18 -7.535 0.017 -0.262 1.00 0.00 O ATOM 275 OD2 ASP A 18 -8.217 -0.824 1.651 1.00 0.00 O ATOM 0 H ASP A 18 -4.067 -1.161 2.750 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.469 -1.941 0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.968 -0.324 2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.609 0.865 1.332 1.00 0.00 H new ATOM 280 N THR A 19 -2.929 0.034 0.162 1.00 0.00 N ATOM 281 CA THR A 19 -2.081 0.730 -0.768 1.00 0.00 C ATOM 282 C THR A 19 -0.982 -0.178 -1.277 1.00 0.00 C ATOM 283 O THR A 19 -0.459 0.056 -2.350 1.00 0.00 O ATOM 284 CB THR A 19 -1.497 1.949 -0.077 1.00 0.00 C ATOM 285 OG1 THR A 19 -2.047 3.143 -0.604 1.00 0.00 O ATOM 286 CG2 THR A 19 0.008 2.057 -0.159 1.00 0.00 C ATOM 0 H THR A 19 -2.531 -0.080 1.094 1.00 0.00 H new ATOM 0 HA THR A 19 -2.668 1.046 -1.630 1.00 0.00 H new ATOM 0 HB THR A 19 -1.762 1.816 0.972 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.657 3.914 -0.142 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.337 2.957 0.361 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.461 1.182 0.307 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.313 2.110 -1.204 1.00 0.00 H new ATOM 294 N ARG A 20 -0.643 -1.233 -0.524 1.00 0.00 N ATOM 295 CA ARG A 20 0.387 -2.164 -0.977 1.00 0.00 C ATOM 296 C ARG A 20 -0.022 -2.630 -2.330 1.00 0.00 C ATOM 297 O ARG A 20 0.788 -2.769 -3.247 1.00 0.00 O ATOM 298 CB ARG A 20 0.539 -3.372 -0.035 1.00 0.00 C ATOM 299 CG ARG A 20 0.708 -4.703 -0.746 1.00 0.00 C ATOM 300 CD ARG A 20 1.442 -5.712 0.122 1.00 0.00 C ATOM 301 NE ARG A 20 0.632 -6.152 1.256 1.00 0.00 N ATOM 302 CZ ARG A 20 1.006 -7.101 2.111 1.00 0.00 C ATOM 303 NH1 ARG A 20 2.176 -7.711 1.966 1.00 0.00 N ATOM 304 NH2 ARG A 20 0.208 -7.441 3.114 1.00 0.00 N ATOM 0 H ARG A 20 -1.058 -1.456 0.380 1.00 0.00 H new ATOM 0 HA ARG A 20 1.353 -1.659 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.401 -3.207 0.612 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.338 -3.427 0.610 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.271 -5.099 -1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.258 -4.553 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.719 -6.576 -0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.368 -5.269 0.488 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.274 -5.705 1.401 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.794 -7.453 1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.457 -8.438 2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.692 -6.975 3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.494 -8.168 3.769 1.00 0.00 H new ATOM 318 N GLU A 21 -1.316 -2.818 -2.451 1.00 0.00 N ATOM 319 CA GLU A 21 -1.863 -3.218 -3.738 1.00 0.00 C ATOM 320 C GLU A 21 -1.621 -2.079 -4.733 1.00 0.00 C ATOM 321 O GLU A 21 -1.323 -2.293 -5.911 1.00 0.00 O ATOM 322 CB GLU A 21 -3.359 -3.535 -3.627 1.00 0.00 C ATOM 323 CG GLU A 21 -4.231 -2.309 -3.412 1.00 0.00 C ATOM 324 CD GLU A 21 -5.596 -2.656 -2.851 1.00 0.00 C ATOM 325 OE1 GLU A 21 -5.971 -3.847 -2.891 1.00 0.00 O ATOM 326 OE2 GLU A 21 -6.292 -1.736 -2.371 1.00 0.00 O ATOM 0 H GLU A 21 -1.998 -2.706 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.369 -4.127 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.681 -4.044 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.514 -4.229 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.726 -1.623 -2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.354 -1.785 -4.360 1.00 0.00 H new ATOM 333 N SER A 22 -1.788 -0.865 -4.219 1.00 0.00 N ATOM 334 CA SER A 22 -1.641 0.353 -5.010 1.00 0.00 C ATOM 335 C SER A 22 -0.188 0.610 -5.406 1.00 0.00 C ATOM 336 O SER A 22 0.095 1.408 -6.300 1.00 0.00 O ATOM 337 CB SER A 22 -2.189 1.554 -4.238 1.00 0.00 C ATOM 338 OG SER A 22 -3.478 1.282 -3.719 1.00 0.00 O ATOM 0 H SER A 22 -2.029 -0.697 -3.242 1.00 0.00 H new ATOM 0 HA SER A 22 -2.214 0.214 -5.927 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.511 1.806 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.234 2.423 -4.895 1.00 0.00 H new ATOM 0 HG SER A 22 -3.765 2.026 -3.149 1.00 0.00 H new ATOM 344 N ILE A 23 0.720 -0.050 -4.712 1.00 0.00 N ATOM 345 CA ILE A 23 2.141 0.113 -4.951 1.00 0.00 C ATOM 346 C ILE A 23 2.628 -0.805 -6.047 1.00 0.00 C ATOM 347 O ILE A 23 3.375 -0.386 -6.932 1.00 0.00 O ATOM 348 CB ILE A 23 2.948 -0.176 -3.684 1.00 0.00 C ATOM 349 CG1 ILE A 23 2.241 0.431 -2.476 1.00 0.00 C ATOM 350 CG2 ILE A 23 4.364 0.357 -3.833 1.00 0.00 C ATOM 351 CD1 ILE A 23 3.138 0.726 -1.292 1.00 0.00 C ATOM 0 H ILE A 23 0.494 -0.712 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 23 2.289 1.149 -5.256 1.00 0.00 H new ATOM 0 HB ILE A 23 3.016 -1.253 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.756 1.357 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.453 -0.250 -2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.930 0.146 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.847 -0.126 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.332 1.434 -3.998 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.545 1.155 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.604 -0.198 -0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.912 1.434 -1.589 1.00 0.00 H new ATOM 363 N LYS A 24 2.210 -2.062 -5.991 1.00 0.00 N ATOM 364 CA LYS A 24 2.631 -3.008 -6.999 1.00 0.00 C ATOM 365 C LYS A 24 2.093 -2.589 -8.361 1.00 0.00 C ATOM 366 O LYS A 24 2.741 -2.797 -9.386 1.00 0.00 O ATOM 367 CB LYS A 24 2.202 -4.430 -6.649 1.00 0.00 C ATOM 368 CG LYS A 24 3.318 -5.448 -6.829 1.00 0.00 C ATOM 369 CD LYS A 24 4.105 -5.653 -5.543 1.00 0.00 C ATOM 370 CE LYS A 24 4.007 -7.091 -5.050 1.00 0.00 C ATOM 371 NZ LYS A 24 5.350 -7.710 -4.869 1.00 0.00 N ATOM 0 H LYS A 24 1.593 -2.439 -5.272 1.00 0.00 H new ATOM 0 HA LYS A 24 3.720 -3.005 -7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.857 -4.456 -5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.355 -4.713 -7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.895 -6.399 -7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.991 -5.114 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.151 -5.395 -5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.730 -4.978 -4.774 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.466 -7.114 -4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.429 -7.680 -5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.315 -8.393 -4.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.627 -8.200 -5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.047 -6.970 -4.651 1.00 0.00 H new ATOM 385 N ARG A 25 0.921 -1.956 -8.364 1.00 0.00 N ATOM 386 CA ARG A 25 0.336 -1.466 -9.608 1.00 0.00 C ATOM 387 C ARG A 25 1.141 -0.255 -10.070 1.00 0.00 C ATOM 388 O ARG A 25 1.429 -0.084 -11.254 1.00 0.00 O ATOM 389 CB ARG A 25 -1.140 -1.101 -9.405 1.00 0.00 C ATOM 390 CG ARG A 25 -1.362 0.185 -8.624 1.00 0.00 C ATOM 391 CD ARG A 25 -2.823 0.600 -8.637 1.00 0.00 C ATOM 392 NE ARG A 25 -3.690 -0.424 -8.059 1.00 0.00 N ATOM 393 CZ ARG A 25 -5.020 -0.369 -8.079 1.00 0.00 C ATOM 394 NH1 ARG A 25 -5.639 0.658 -8.647 1.00 0.00 N ATOM 395 NH2 ARG A 25 -5.732 -1.344 -7.530 1.00 0.00 N ATOM 0 H ARG A 25 0.364 -1.773 -7.529 1.00 0.00 H new ATOM 0 HA ARG A 25 0.374 -2.244 -10.370 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.617 -1.007 -10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.637 -1.920 -8.884 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.031 0.048 -7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.753 0.981 -9.052 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.940 1.530 -8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.133 0.801 -9.662 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.250 -1.229 -7.614 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.096 1.410 -9.071 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.658 0.696 -8.660 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.261 -2.136 -7.093 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.751 -1.302 -7.545 1.00 0.00 H new ATOM 409 N GLU A 26 1.520 0.561 -9.091 1.00 0.00 N ATOM 410 CA GLU A 26 2.325 1.748 -9.333 1.00 0.00 C ATOM 411 C GLU A 26 3.707 1.328 -9.819 1.00 0.00 C ATOM 412 O GLU A 26 4.467 2.132 -10.357 1.00 0.00 O ATOM 413 CB GLU A 26 2.445 2.587 -8.058 1.00 0.00 C ATOM 414 CG GLU A 26 1.218 3.436 -7.771 1.00 0.00 C ATOM 415 CD GLU A 26 1.240 4.760 -8.508 1.00 0.00 C ATOM 416 OE1 GLU A 26 1.437 4.751 -9.741 1.00 0.00 O ATOM 417 OE2 GLU A 26 1.061 5.808 -7.851 1.00 0.00 O ATOM 0 H GLU A 26 1.277 0.416 -8.111 1.00 0.00 H new ATOM 0 HA GLU A 26 1.841 2.358 -10.096 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.623 1.923 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.315 3.238 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.323 2.882 -8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.152 3.622 -6.699 1.00 0.00 H new ATOM 424 N ASN A 27 4.008 0.042 -9.639 1.00 0.00 N ATOM 425 CA ASN A 27 5.269 -0.525 -10.067 1.00 0.00 C ATOM 426 C ASN A 27 5.111 -2.027 -10.281 1.00 0.00 C ATOM 427 O ASN A 27 5.477 -2.828 -9.422 1.00 0.00 O ATOM 428 CB ASN A 27 6.367 -0.236 -9.044 1.00 0.00 C ATOM 429 CG ASN A 27 6.569 1.249 -8.817 1.00 0.00 C ATOM 430 OD1 ASN A 27 5.768 1.825 -7.927 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 7.433 1.872 -9.433 1.00 0.00 N flip ATOM 0 H ASN A 27 3.381 -0.627 -9.193 1.00 0.00 H new ATOM 0 HA ASN A 27 5.562 -0.063 -11.010 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.113 -0.714 -8.098 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.303 -0.679 -9.384 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.026 1.389 -10.108 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.556 2.871 -9.269 1.00 0.00 H new ATOM 438 N PRO A 28 4.539 -2.427 -11.434 1.00 0.00 N ATOM 439 CA PRO A 28 4.303 -3.839 -11.761 1.00 0.00 C ATOM 440 C PRO A 28 5.588 -4.612 -12.034 1.00 0.00 C ATOM 441 O PRO A 28 5.704 -5.308 -13.043 1.00 0.00 O ATOM 442 CB PRO A 28 3.442 -3.772 -13.026 1.00 0.00 C ATOM 443 CG PRO A 28 3.781 -2.461 -13.644 1.00 0.00 C ATOM 444 CD PRO A 28 4.059 -1.527 -12.500 1.00 0.00 C ATOM 0 HA PRO A 28 3.834 -4.368 -10.931 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.665 -4.598 -13.701 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.380 -3.834 -12.786 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.650 -2.549 -14.296 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.958 -2.094 -14.257 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.808 -0.781 -12.763 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.163 -0.986 -12.196 1.00 0.00 H new ATOM 452 N GLY A 29 6.549 -4.490 -11.129 1.00 0.00 N ATOM 453 CA GLY A 29 7.808 -5.186 -11.289 1.00 0.00 C ATOM 454 C GLY A 29 8.693 -5.087 -10.060 1.00 0.00 C ATOM 455 O GLY A 29 9.880 -5.410 -10.123 1.00 0.00 O ATOM 0 H GLY A 29 6.478 -3.920 -10.286 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.613 -6.236 -11.507 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.339 -4.775 -12.148 1.00 0.00 H new ATOM 459 N ILE A 30 8.128 -4.642 -8.939 1.00 0.00 N ATOM 460 CA ILE A 30 8.890 -4.511 -7.717 1.00 0.00 C ATOM 461 C ILE A 30 8.969 -5.836 -6.974 1.00 0.00 C ATOM 462 O ILE A 30 8.990 -6.908 -7.579 1.00 0.00 O ATOM 463 CB ILE A 30 8.298 -3.420 -6.792 1.00 0.00 C ATOM 464 CG1 ILE A 30 6.991 -3.880 -6.121 1.00 0.00 C ATOM 465 CG2 ILE A 30 8.064 -2.154 -7.578 1.00 0.00 C ATOM 466 CD1 ILE A 30 6.302 -2.789 -5.323 1.00 0.00 C ATOM 0 H ILE A 30 7.148 -4.369 -8.860 1.00 0.00 H new ATOM 0 HA ILE A 30 9.898 -4.209 -8.000 1.00 0.00 H new ATOM 0 HB ILE A 30 9.021 -3.229 -5.999 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.307 -4.245 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.207 -4.720 -5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.647 -1.390 -6.922 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.009 -1.802 -7.990 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.366 -2.354 -8.391 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.389 -3.185 -4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.968 -2.440 -4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.054 -1.957 -5.982 1.00 0.00 H new ATOM 478 N LYS A 31 9.027 -5.744 -5.661 1.00 0.00 N ATOM 479 CA LYS A 31 9.120 -6.880 -4.803 1.00 0.00 C ATOM 480 C LYS A 31 8.403 -6.595 -3.507 1.00 0.00 C ATOM 481 O LYS A 31 8.361 -5.464 -3.031 1.00 0.00 O ATOM 482 CB LYS A 31 10.589 -7.203 -4.554 1.00 0.00 C ATOM 483 CG LYS A 31 11.285 -6.236 -3.607 1.00 0.00 C ATOM 484 CD LYS A 31 12.726 -6.649 -3.350 1.00 0.00 C ATOM 485 CE LYS A 31 13.630 -5.439 -3.179 1.00 0.00 C ATOM 486 NZ LYS A 31 15.002 -5.829 -2.751 1.00 0.00 N ATOM 0 H LYS A 31 9.010 -4.854 -5.163 1.00 0.00 H new ATOM 0 HA LYS A 31 8.648 -7.743 -5.273 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.664 -8.211 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.117 -7.204 -5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.263 -5.232 -4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.743 -6.196 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.774 -7.270 -2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.085 -7.258 -4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.685 -4.891 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.197 -4.764 -2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.588 -4.976 -2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.952 -6.330 -1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.425 -6.453 -3.467 1.00 0.00 H new ATOM 500 N VAL A 32 7.855 -7.642 -2.952 1.00 0.00 N ATOM 501 CA VAL A 32 7.137 -7.598 -1.692 1.00 0.00 C ATOM 502 C VAL A 32 7.747 -6.590 -0.712 1.00 0.00 C ATOM 503 O VAL A 32 7.043 -5.961 0.077 1.00 0.00 O ATOM 504 CB VAL A 32 7.171 -9.005 -1.062 1.00 0.00 C ATOM 505 CG1 VAL A 32 8.075 -9.929 -1.867 1.00 0.00 C ATOM 506 CG2 VAL A 32 7.637 -8.957 0.379 1.00 0.00 C ATOM 0 H VAL A 32 7.892 -8.573 -3.367 1.00 0.00 H new ATOM 0 HA VAL A 32 6.114 -7.279 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 32 6.153 -9.395 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.087 -10.917 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.699 -10.007 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.087 -9.524 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.649 -9.966 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.641 -8.535 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.957 -8.335 0.961 1.00 0.00 H new ATOM 516 N THR A 33 9.065 -6.485 -0.756 1.00 0.00 N ATOM 517 CA THR A 33 9.811 -5.597 0.142 1.00 0.00 C ATOM 518 C THR A 33 9.872 -4.155 -0.364 1.00 0.00 C ATOM 519 O THR A 33 10.039 -3.218 0.425 1.00 0.00 O ATOM 520 CB THR A 33 11.231 -6.129 0.342 1.00 0.00 C ATOM 521 OG1 THR A 33 12.022 -5.892 -0.808 1.00 0.00 O ATOM 522 CG2 THR A 33 11.278 -7.614 0.634 1.00 0.00 C ATOM 0 H THR A 33 9.651 -7.006 -1.408 1.00 0.00 H new ATOM 0 HA THR A 33 9.274 -5.585 1.091 1.00 0.00 H new ATOM 0 HB THR A 33 11.621 -5.592 1.207 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.927 -5.634 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.314 -7.926 0.765 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.718 -7.824 1.545 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.836 -8.163 -0.198 1.00 0.00 H new ATOM 530 N GLU A 34 9.702 -3.965 -1.665 1.00 0.00 N ATOM 531 CA GLU A 34 9.716 -2.625 -2.232 1.00 0.00 C ATOM 532 C GLU A 34 8.427 -1.914 -1.863 1.00 0.00 C ATOM 533 O GLU A 34 8.408 -0.709 -1.652 1.00 0.00 O ATOM 534 CB GLU A 34 9.876 -2.686 -3.753 1.00 0.00 C ATOM 535 CG GLU A 34 9.407 -1.432 -4.482 1.00 0.00 C ATOM 536 CD GLU A 34 10.421 -0.929 -5.491 1.00 0.00 C ATOM 537 OE1 GLU A 34 11.632 -1.144 -5.274 1.00 0.00 O ATOM 538 OE2 GLU A 34 10.004 -0.319 -6.498 1.00 0.00 O ATOM 0 H GLU A 34 9.554 -4.714 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 34 10.563 -2.072 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.926 -2.859 -3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.318 -3.543 -4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.467 -1.643 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.205 -0.647 -3.753 1.00 0.00 H new ATOM 545 N ILE A 35 7.349 -2.678 -1.793 1.00 0.00 N ATOM 546 CA ILE A 35 6.055 -2.134 -1.451 1.00 0.00 C ATOM 547 C ILE A 35 6.117 -1.517 -0.070 1.00 0.00 C ATOM 548 O ILE A 35 5.595 -0.426 0.177 1.00 0.00 O ATOM 549 CB ILE A 35 4.974 -3.232 -1.445 1.00 0.00 C ATOM 550 CG1 ILE A 35 4.992 -4.018 -2.754 1.00 0.00 C ATOM 551 CG2 ILE A 35 3.602 -2.632 -1.201 1.00 0.00 C ATOM 552 CD1 ILE A 35 4.642 -5.478 -2.574 1.00 0.00 C ATOM 0 H ILE A 35 7.350 -3.682 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 35 5.796 -1.384 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 35 5.196 -3.922 -0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.288 -3.565 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.982 -3.941 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.853 -3.424 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.593 -2.124 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.372 -1.916 -1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.672 -5.981 -3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.360 -5.944 -1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.641 -5.563 -2.152 1.00 0.00 H new ATOM 564 N ALA A 36 6.755 -2.247 0.829 1.00 0.00 N ATOM 565 CA ALA A 36 6.886 -1.819 2.199 1.00 0.00 C ATOM 566 C ALA A 36 7.774 -0.589 2.350 1.00 0.00 C ATOM 567 O ALA A 36 7.613 0.180 3.298 1.00 0.00 O ATOM 568 CB ALA A 36 7.411 -2.958 3.059 1.00 0.00 C ATOM 0 H ALA A 36 7.192 -3.146 0.626 1.00 0.00 H new ATOM 0 HA ALA A 36 5.890 -1.534 2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.505 -2.621 4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.718 -3.798 3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.387 -3.273 2.690 1.00 0.00 H new ATOM 574 N LYS A 37 8.727 -0.407 1.438 1.00 0.00 N ATOM 575 CA LYS A 37 9.638 0.731 1.525 1.00 0.00 C ATOM 576 C LYS A 37 9.111 1.942 0.763 1.00 0.00 C ATOM 577 O LYS A 37 9.031 3.051 1.310 1.00 0.00 O ATOM 578 CB LYS A 37 11.017 0.343 0.988 1.00 0.00 C ATOM 579 CG LYS A 37 12.168 0.966 1.761 1.00 0.00 C ATOM 580 CD LYS A 37 12.722 0.011 2.804 1.00 0.00 C ATOM 581 CE LYS A 37 11.893 0.036 4.078 1.00 0.00 C ATOM 582 NZ LYS A 37 12.035 1.326 4.808 1.00 0.00 N ATOM 0 H LYS A 37 8.887 -1.023 0.641 1.00 0.00 H new ATOM 0 HA LYS A 37 9.717 1.007 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.117 -0.742 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.088 0.643 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.961 1.250 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.828 1.880 2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.739 -1.001 2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.753 0.280 3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.844 -0.128 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.200 -0.784 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.751 1.197 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.026 1.639 4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.427 2.044 4.365 1.00 0.00 H new ATOM 596 N LYS A 38 8.746 1.738 -0.499 1.00 0.00 N ATOM 597 CA LYS A 38 8.231 2.819 -1.320 1.00 0.00 C ATOM 598 C LYS A 38 6.850 3.259 -0.848 1.00 0.00 C ATOM 599 O LYS A 38 6.323 4.274 -1.306 1.00 0.00 O ATOM 600 CB LYS A 38 8.200 2.396 -2.793 1.00 0.00 C ATOM 601 CG LYS A 38 6.827 1.980 -3.302 1.00 0.00 C ATOM 602 CD LYS A 38 6.029 3.178 -3.795 1.00 0.00 C ATOM 603 CE LYS A 38 5.841 3.144 -5.303 1.00 0.00 C ATOM 604 NZ LYS A 38 5.069 4.319 -5.794 1.00 0.00 N ATOM 0 H LYS A 38 8.799 0.835 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 38 8.899 3.674 -1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.564 3.223 -3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.893 1.566 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.941 1.259 -4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.278 1.479 -2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.055 3.192 -3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.541 4.098 -3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.816 3.121 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.323 2.227 -5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.963 4.258 -6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.129 4.327 -5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.575 5.194 -5.549 1.00 0.00 H new ATOM 618 N GLY A 39 6.278 2.513 0.090 1.00 0.00 N ATOM 619 CA GLY A 39 4.996 2.880 0.615 1.00 0.00 C ATOM 620 C GLY A 39 5.147 3.853 1.765 1.00 0.00 C ATOM 621 O GLY A 39 4.448 4.862 1.846 1.00 0.00 O ATOM 0 H GLY A 39 6.684 1.666 0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.391 3.330 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.467 1.989 0.953 1.00 0.00 H new ATOM 625 N GLY A 40 6.077 3.549 2.643 1.00 0.00 N ATOM 626 CA GLY A 40 6.341 4.403 3.786 1.00 0.00 C ATOM 627 C GLY A 40 6.688 5.812 3.371 1.00 0.00 C ATOM 628 O GLY A 40 6.235 6.774 3.986 1.00 0.00 O ATOM 0 H GLY A 40 6.665 2.717 2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.465 4.421 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.161 3.985 4.369 1.00 0.00 H new ATOM 632 N GLU A 41 7.482 5.940 2.315 1.00 0.00 N ATOM 633 CA GLU A 41 7.862 7.258 1.821 1.00 0.00 C ATOM 634 C GLU A 41 6.615 8.078 1.503 1.00 0.00 C ATOM 635 O GLU A 41 6.510 9.245 1.881 1.00 0.00 O ATOM 636 CB GLU A 41 8.727 7.127 0.568 1.00 0.00 C ATOM 637 CG GLU A 41 8.072 6.306 -0.529 1.00 0.00 C ATOM 638 CD GLU A 41 8.987 6.083 -1.716 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.169 5.744 -1.500 1.00 0.00 O ATOM 640 OE2 GLU A 41 8.521 6.245 -2.864 1.00 0.00 O ATOM 0 H GLU A 41 7.872 5.157 1.789 1.00 0.00 H new ATOM 0 HA GLU A 41 8.437 7.766 2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.951 8.122 0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.678 6.668 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.768 5.341 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.166 6.811 -0.863 1.00 0.00 H new ATOM 647 N MET A 42 5.675 7.454 0.799 1.00 0.00 N ATOM 648 CA MET A 42 4.432 8.104 0.414 1.00 0.00 C ATOM 649 C MET A 42 3.486 8.214 1.596 1.00 0.00 C ATOM 650 O MET A 42 2.777 9.208 1.754 1.00 0.00 O ATOM 651 CB MET A 42 3.750 7.307 -0.693 1.00 0.00 C ATOM 652 CG MET A 42 3.017 6.075 -0.184 1.00 0.00 C ATOM 653 SD MET A 42 1.906 5.379 -1.416 1.00 0.00 S ATOM 654 CE MET A 42 2.751 3.846 -1.761 1.00 0.00 C ATOM 0 H MET A 42 5.755 6.488 0.482 1.00 0.00 H new ATOM 0 HA MET A 42 4.673 9.106 0.059 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.043 7.953 -1.213 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.498 7.000 -1.424 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.745 5.320 0.113 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.448 6.337 0.708 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.358 3.413 -2.681 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.818 4.037 -1.877 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.594 3.151 -0.936 1.00 0.00 H new ATOM 664 N TRP A 43 3.474 7.172 2.417 1.00 0.00 N ATOM 665 CA TRP A 43 2.620 7.127 3.573 1.00 0.00 C ATOM 666 C TRP A 43 2.932 8.281 4.526 1.00 0.00 C ATOM 667 O TRP A 43 2.031 8.996 4.961 1.00 0.00 O ATOM 668 CB TRP A 43 2.793 5.766 4.234 1.00 0.00 C ATOM 669 CG TRP A 43 2.510 5.744 5.683 1.00 0.00 C ATOM 670 CD1 TRP A 43 3.411 5.896 6.671 1.00 0.00 C ATOM 671 CD2 TRP A 43 1.247 5.543 6.295 1.00 0.00 C ATOM 672 NE1 TRP A 43 2.785 5.798 7.895 1.00 0.00 N ATOM 673 CE2 TRP A 43 1.443 5.579 7.681 1.00 0.00 C ATOM 674 CE3 TRP A 43 -0.031 5.336 5.793 1.00 0.00 C ATOM 675 CZ2 TRP A 43 0.391 5.408 8.577 1.00 0.00 C ATOM 676 CZ3 TRP A 43 -1.076 5.166 6.680 1.00 0.00 C ATOM 677 CH2 TRP A 43 -0.859 5.201 8.060 1.00 0.00 C ATOM 0 H TRP A 43 4.056 6.344 2.292 1.00 0.00 H new ATOM 0 HA TRP A 43 1.577 7.250 3.283 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.137 5.050 3.738 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.816 5.426 4.072 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.467 6.069 6.526 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.239 5.875 8.805 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.205 5.308 4.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.556 5.438 9.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.075 5.004 6.302 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.694 5.062 8.731 1.00 0.00 H new ATOM 688 N LYS A 44 4.213 8.460 4.842 1.00 0.00 N ATOM 689 CA LYS A 44 4.650 9.531 5.736 1.00 0.00 C ATOM 690 C LYS A 44 3.897 10.834 5.460 1.00 0.00 C ATOM 691 O LYS A 44 3.369 11.463 6.379 1.00 0.00 O ATOM 692 CB LYS A 44 6.155 9.760 5.578 1.00 0.00 C ATOM 693 CG LYS A 44 7.007 8.748 6.327 1.00 0.00 C ATOM 694 CD LYS A 44 6.663 8.717 7.808 1.00 0.00 C ATOM 695 CE LYS A 44 5.829 7.497 8.162 1.00 0.00 C ATOM 696 NZ LYS A 44 6.073 7.044 9.560 1.00 0.00 N ATOM 0 H LYS A 44 4.970 7.874 4.490 1.00 0.00 H new ATOM 0 HA LYS A 44 4.430 9.224 6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.410 9.724 4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.401 10.761 5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.859 7.757 5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.061 8.995 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.581 8.714 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.117 9.622 8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.772 7.731 8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.061 6.686 7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.485 6.210 9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.077 6.797 9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.827 7.809 10.221 1.00 0.00 H new ATOM 710 N GLU A 45 3.848 11.229 4.192 1.00 0.00 N ATOM 711 CA GLU A 45 3.154 12.451 3.795 1.00 0.00 C ATOM 712 C GLU A 45 1.812 12.118 3.150 1.00 0.00 C ATOM 713 O GLU A 45 1.501 12.584 2.053 1.00 0.00 O ATOM 714 CB GLU A 45 4.018 13.261 2.825 1.00 0.00 C ATOM 715 CG GLU A 45 4.602 12.432 1.692 1.00 0.00 C ATOM 716 CD GLU A 45 5.195 13.287 0.590 1.00 0.00 C ATOM 717 OE1 GLU A 45 6.065 14.129 0.895 1.00 0.00 O ATOM 718 OE2 GLU A 45 4.790 13.113 -0.578 1.00 0.00 O ATOM 0 H GLU A 45 4.281 10.721 3.421 1.00 0.00 H new ATOM 0 HA GLU A 45 2.972 13.049 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.417 14.066 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.832 13.728 3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.373 11.772 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.823 11.795 1.273 1.00 0.00 H new ATOM 725 N LEU A 46 1.027 11.298 3.839 1.00 0.00 N ATOM 726 CA LEU A 46 -0.281 10.878 3.348 1.00 0.00 C ATOM 727 C LEU A 46 -1.403 11.623 4.086 1.00 0.00 C ATOM 728 O LEU A 46 -1.419 11.669 5.315 1.00 0.00 O ATOM 729 CB LEU A 46 -0.403 9.357 3.534 1.00 0.00 C ATOM 730 CG LEU A 46 -1.797 8.755 3.362 1.00 0.00 C ATOM 731 CD1 LEU A 46 -2.070 8.461 1.896 1.00 0.00 C ATOM 732 CD2 LEU A 46 -1.937 7.489 4.201 1.00 0.00 C ATOM 0 H LEU A 46 1.276 10.908 4.748 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.379 11.122 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.267 8.872 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.045 9.106 4.532 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.534 9.479 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.067 8.033 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.010 9.386 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.330 7.753 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.935 7.073 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.193 6.758 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.782 7.730 5.253 1.00 0.00 H new ATOM 744 N LYS A 47 -2.341 12.199 3.327 1.00 0.00 N ATOM 745 CA LYS A 47 -3.468 12.934 3.918 1.00 0.00 C ATOM 746 C LYS A 47 -4.619 12.000 4.236 1.00 0.00 C ATOM 747 O LYS A 47 -5.610 12.399 4.850 1.00 0.00 O ATOM 748 CB LYS A 47 -3.933 14.054 2.984 1.00 0.00 C ATOM 749 CG LYS A 47 -4.337 15.325 3.713 1.00 0.00 C ATOM 750 CD LYS A 47 -3.193 16.325 3.764 1.00 0.00 C ATOM 751 CE LYS A 47 -3.612 17.616 4.446 1.00 0.00 C ATOM 752 NZ LYS A 47 -3.245 17.627 5.889 1.00 0.00 N ATOM 0 H LYS A 47 -2.344 12.172 2.307 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.124 13.381 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.132 14.286 2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.779 13.698 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.194 15.776 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.653 15.080 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.349 15.887 4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.852 16.541 2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.140 18.461 3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.689 17.747 4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.548 18.525 6.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.716 16.836 6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.214 17.528 5.986 1.00 0.00 H new ATOM 766 N ASP A 48 -4.444 10.742 3.889 1.00 0.00 N ATOM 767 CA ASP A 48 -5.415 9.724 4.207 1.00 0.00 C ATOM 768 C ASP A 48 -4.904 8.972 5.430 1.00 0.00 C ATOM 769 O ASP A 48 -5.572 8.092 5.962 1.00 0.00 O ATOM 770 CB ASP A 48 -5.607 8.765 3.029 1.00 0.00 C ATOM 771 CG ASP A 48 -6.769 9.165 2.141 1.00 0.00 C ATOM 772 OD1 ASP A 48 -6.773 10.314 1.651 1.00 0.00 O ATOM 773 OD2 ASP A 48 -7.674 8.330 1.936 1.00 0.00 O ATOM 0 H ASP A 48 -3.628 10.401 3.381 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.384 10.178 4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.693 8.735 2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.773 7.757 3.408 1.00 0.00 H new ATOM 778 N LYS A 49 -3.696 9.355 5.865 1.00 0.00 N ATOM 779 CA LYS A 49 -3.051 8.754 7.019 1.00 0.00 C ATOM 780 C LYS A 49 -3.623 9.312 8.304 1.00 0.00 C ATOM 781 O LYS A 49 -3.680 8.626 9.316 1.00 0.00 O ATOM 782 CB LYS A 49 -1.552 9.012 6.982 1.00 0.00 C ATOM 783 CG LYS A 49 -0.767 8.054 7.850 1.00 0.00 C ATOM 784 CD LYS A 49 0.212 8.796 8.741 1.00 0.00 C ATOM 785 CE LYS A 49 1.562 8.959 8.063 1.00 0.00 C ATOM 786 NZ LYS A 49 2.666 9.110 9.050 1.00 0.00 N ATOM 0 H LYS A 49 -3.146 10.090 5.421 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.235 7.680 6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.200 8.933 5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.356 10.033 7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.453 7.471 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.226 7.348 7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.192 9.777 8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.337 8.254 9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.757 8.093 7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.537 9.832 7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.429 9.681 8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.306 9.583 9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.035 8.172 9.304 1.00 0.00 H new ATOM 800 N SER A 50 -4.123 10.533 8.246 1.00 0.00 N ATOM 801 CA SER A 50 -4.762 11.108 9.409 1.00 0.00 C ATOM 802 C SER A 50 -6.074 10.367 9.593 1.00 0.00 C ATOM 803 O SER A 50 -6.572 10.192 10.704 1.00 0.00 O ATOM 804 CB SER A 50 -5.007 12.606 9.217 1.00 0.00 C ATOM 805 OG SER A 50 -5.343 13.229 10.445 1.00 0.00 O ATOM 0 H SER A 50 -4.099 11.134 7.422 1.00 0.00 H new ATOM 0 HA SER A 50 -4.128 11.006 10.289 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.115 13.073 8.801 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.811 12.757 8.497 1.00 0.00 H new ATOM 0 HG SER A 50 -5.493 14.186 10.296 1.00 0.00 H new ATOM 811 N LYS A 51 -6.615 9.938 8.454 1.00 0.00 N ATOM 812 CA LYS A 51 -7.877 9.203 8.418 1.00 0.00 C ATOM 813 C LYS A 51 -7.658 7.687 8.335 1.00 0.00 C ATOM 814 O LYS A 51 -8.619 6.918 8.371 1.00 0.00 O ATOM 815 CB LYS A 51 -8.721 9.668 7.230 1.00 0.00 C ATOM 816 CG LYS A 51 -10.212 9.702 7.520 1.00 0.00 C ATOM 817 CD LYS A 51 -10.913 8.466 6.980 1.00 0.00 C ATOM 818 CE LYS A 51 -12.109 8.085 7.837 1.00 0.00 C ATOM 819 NZ LYS A 51 -13.388 8.589 7.265 1.00 0.00 N ATOM 0 H LYS A 51 -6.194 10.089 7.537 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.403 9.412 9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.395 10.664 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.539 9.005 6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.373 9.772 8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.650 10.594 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.241 8.650 5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.210 7.634 6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.157 7.000 7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.978 8.487 8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.178 8.307 7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.354 9.626 7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.527 8.186 6.316 1.00 0.00 H new ATOM 833 N TRP A 52 -6.401 7.255 8.221 1.00 0.00 N ATOM 834 CA TRP A 52 -6.092 5.826 8.131 1.00 0.00 C ATOM 835 C TRP A 52 -5.204 5.373 9.282 1.00 0.00 C ATOM 836 O TRP A 52 -5.393 4.289 9.843 1.00 0.00 O ATOM 837 CB TRP A 52 -5.402 5.505 6.805 1.00 0.00 C ATOM 838 CG TRP A 52 -6.356 5.390 5.653 1.00 0.00 C ATOM 839 CD1 TRP A 52 -7.389 6.231 5.351 1.00 0.00 C ATOM 840 CD2 TRP A 52 -6.367 4.367 4.655 1.00 0.00 C ATOM 841 NE1 TRP A 52 -8.037 5.794 4.220 1.00 0.00 N ATOM 842 CE2 TRP A 52 -7.429 4.650 3.775 1.00 0.00 C ATOM 843 CE3 TRP A 52 -5.579 3.239 4.418 1.00 0.00 C ATOM 844 CZ2 TRP A 52 -7.722 3.845 2.678 1.00 0.00 C ATOM 845 CZ3 TRP A 52 -5.870 2.440 3.329 1.00 0.00 C ATOM 846 CH2 TRP A 52 -6.933 2.746 2.470 1.00 0.00 C ATOM 0 H TRP A 52 -5.586 7.868 8.189 1.00 0.00 H new ATOM 0 HA TRP A 52 -7.038 5.288 8.188 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.671 6.283 6.586 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.851 4.570 6.907 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -7.657 7.110 5.918 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -8.840 6.248 3.783 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.757 2.995 5.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.542 4.079 2.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -5.267 1.565 3.137 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -7.134 2.102 1.627 1.00 0.00 H new ATOM 857 N GLU A 53 -4.250 6.214 9.657 1.00 0.00 N ATOM 858 CA GLU A 53 -3.358 5.893 10.761 1.00 0.00 C ATOM 859 C GLU A 53 -4.176 5.572 11.999 1.00 0.00 C ATOM 860 O GLU A 53 -3.739 4.831 12.880 1.00 0.00 O ATOM 861 CB GLU A 53 -2.396 7.055 11.040 1.00 0.00 C ATOM 862 CG GLU A 53 -2.876 8.025 12.111 1.00 0.00 C ATOM 863 CD GLU A 53 -2.353 7.677 13.490 1.00 0.00 C ATOM 864 OE1 GLU A 53 -1.155 7.921 13.749 1.00 0.00 O ATOM 865 OE2 GLU A 53 -3.139 7.159 14.312 1.00 0.00 O ATOM 0 H GLU A 53 -4.075 7.117 9.216 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.762 5.022 10.490 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.431 6.648 11.342 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.233 7.606 10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.558 9.035 11.850 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.966 8.029 12.130 1.00 0.00 H new ATOM 872 N ASP A 54 -5.373 6.140 12.048 1.00 0.00 N ATOM 873 CA ASP A 54 -6.263 5.921 13.165 1.00 0.00 C ATOM 874 C ASP A 54 -6.926 4.568 13.056 1.00 0.00 C ATOM 875 O ASP A 54 -7.292 3.981 14.058 1.00 0.00 O ATOM 876 CB ASP A 54 -7.310 7.031 13.259 1.00 0.00 C ATOM 877 CG ASP A 54 -8.045 7.244 11.951 1.00 0.00 C ATOM 878 OD1 ASP A 54 -7.484 7.909 11.056 1.00 0.00 O ATOM 879 OD2 ASP A 54 -9.184 6.746 11.821 1.00 0.00 O ATOM 0 H ASP A 54 -5.745 6.755 11.324 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.670 5.942 14.080 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.029 6.784 14.040 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.824 7.961 13.555 1.00 0.00 H new ATOM 884 N ALA A 55 -7.050 4.051 11.844 1.00 0.00 N ATOM 885 CA ALA A 55 -7.635 2.736 11.669 1.00 0.00 C ATOM 886 C ALA A 55 -6.770 1.727 12.415 1.00 0.00 C ATOM 887 O ALA A 55 -7.265 0.808 13.067 1.00 0.00 O ATOM 888 CB ALA A 55 -7.731 2.384 10.192 1.00 0.00 C ATOM 0 H ALA A 55 -6.759 4.513 10.983 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.648 2.721 12.071 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.173 1.394 10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.355 3.118 9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.734 2.388 9.752 1.00 0.00 H new ATOM 894 N ALA A 56 -5.462 1.912 12.274 1.00 0.00 N ATOM 895 CA ALA A 56 -4.457 1.039 12.886 1.00 0.00 C ATOM 896 C ALA A 56 -4.440 1.108 14.409 1.00 0.00 C ATOM 897 O ALA A 56 -4.415 0.076 15.079 1.00 0.00 O ATOM 898 CB ALA A 56 -3.093 1.405 12.349 1.00 0.00 C ATOM 0 H ALA A 56 -5.063 2.676 11.729 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.721 0.015 12.624 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.339 0.759 12.800 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.081 1.276 11.267 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.873 2.444 12.592 1.00 0.00 H new ATOM 904 N ALA A 57 -4.452 2.317 14.959 1.00 0.00 N ATOM 905 CA ALA A 57 -4.439 2.478 16.409 1.00 0.00 C ATOM 906 C ALA A 57 -5.806 2.146 16.985 1.00 0.00 C ATOM 907 O ALA A 57 -5.925 1.598 18.082 1.00 0.00 O ATOM 908 CB ALA A 57 -4.033 3.897 16.782 1.00 0.00 C ATOM 0 H ALA A 57 -4.470 3.190 14.431 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.707 1.789 16.831 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.028 4.001 17.867 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.036 4.104 16.393 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.744 4.603 16.353 1.00 0.00 H new ATOM 914 N LYS A 58 -6.831 2.491 16.225 1.00 0.00 N ATOM 915 CA LYS A 58 -8.208 2.249 16.627 1.00 0.00 C ATOM 916 C LYS A 58 -8.552 0.771 16.515 1.00 0.00 C ATOM 917 O LYS A 58 -9.333 0.255 17.302 1.00 0.00 O ATOM 918 CB LYS A 58 -9.172 3.082 15.775 1.00 0.00 C ATOM 919 CG LYS A 58 -9.589 2.412 14.474 1.00 0.00 C ATOM 920 CD LYS A 58 -10.638 3.228 13.734 1.00 0.00 C ATOM 921 CE LYS A 58 -10.119 4.608 13.360 1.00 0.00 C ATOM 922 NZ LYS A 58 -11.204 5.488 12.848 1.00 0.00 N ATOM 0 H LYS A 58 -6.735 2.944 15.316 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.313 2.550 17.669 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.065 3.298 16.362 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.703 4.038 15.544 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.715 2.279 13.837 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.983 1.418 14.686 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.942 2.697 12.832 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.526 3.330 14.358 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.657 5.071 14.232 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.342 4.511 12.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.790 6.258 12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.849 4.932 12.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.732 5.889 13.649 1.00 0.00 H new ATOM 936 N ASP A 59 -7.980 0.102 15.518 1.00 0.00 N ATOM 937 CA ASP A 59 -8.249 -1.310 15.305 1.00 0.00 C ATOM 938 C ASP A 59 -7.471 -2.162 16.289 1.00 0.00 C ATOM 939 O ASP A 59 -7.930 -3.218 16.689 1.00 0.00 O ATOM 940 CB ASP A 59 -7.904 -1.715 13.871 1.00 0.00 C ATOM 941 CG ASP A 59 -8.269 -3.156 13.573 1.00 0.00 C ATOM 942 OD1 ASP A 59 -9.289 -3.633 14.113 1.00 0.00 O ATOM 943 OD2 ASP A 59 -7.535 -3.807 12.800 1.00 0.00 O ATOM 0 H ASP A 59 -7.330 0.516 14.849 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.314 -1.477 15.469 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.428 -1.059 13.175 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.837 -1.571 13.703 1.00 0.00 H new ATOM 948 N LYS A 60 -6.305 -1.696 16.703 1.00 0.00 N ATOM 949 CA LYS A 60 -5.518 -2.446 17.668 1.00 0.00 C ATOM 950 C LYS A 60 -6.238 -2.446 19.007 1.00 0.00 C ATOM 951 O LYS A 60 -6.087 -3.357 19.822 1.00 0.00 O ATOM 952 CB LYS A 60 -4.107 -1.857 17.802 1.00 0.00 C ATOM 953 CG LYS A 60 -4.000 -0.704 18.793 1.00 0.00 C ATOM 954 CD LYS A 60 -3.040 -1.029 19.928 1.00 0.00 C ATOM 955 CE LYS A 60 -1.695 -0.347 19.733 1.00 0.00 C ATOM 956 NZ LYS A 60 -0.924 -0.267 21.004 1.00 0.00 N ATOM 0 H LYS A 60 -5.888 -0.818 16.393 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.409 -3.473 17.321 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.423 -2.649 18.108 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.776 -1.511 16.823 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.661 0.192 18.274 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.986 -0.482 19.202 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.475 -0.713 20.876 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.897 -2.108 19.987 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.115 -0.894 18.990 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.851 0.657 19.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.014 0.204 20.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.466 0.277 21.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.753 -1.226 21.367 1.00 0.00 H new ATOM 970 N GLN A 61 -7.038 -1.408 19.203 1.00 0.00 N ATOM 971 CA GLN A 61 -7.808 -1.241 20.409 1.00 0.00 C ATOM 972 C GLN A 61 -9.161 -1.927 20.273 1.00 0.00 C ATOM 973 O GLN A 61 -9.555 -2.704 21.125 1.00 0.00 O ATOM 974 CB GLN A 61 -7.973 0.256 20.712 1.00 0.00 C ATOM 975 CG GLN A 61 -9.374 0.669 21.136 1.00 0.00 C ATOM 976 CD GLN A 61 -9.494 0.861 22.634 1.00 0.00 C ATOM 977 OE1 GLN A 61 -9.787 -0.223 23.342 1.00 0.00 O flip ATOM 978 NE2 GLN A 61 -9.327 1.967 23.147 1.00 0.00 N flip ATOM 0 H GLN A 61 -7.166 -0.659 18.522 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.281 -1.707 21.242 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.273 0.532 21.501 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.694 0.825 19.825 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.644 1.597 20.631 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.087 -0.089 20.812 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.103 2.772 22.562 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.412 2.079 24.157 1.00 0.00 H new ATOM 987 N ARG A 62 -9.879 -1.619 19.209 1.00 0.00 N ATOM 988 CA ARG A 62 -11.195 -2.201 18.987 1.00 0.00 C ATOM 989 C ARG A 62 -11.106 -3.691 18.674 1.00 0.00 C ATOM 990 O ARG A 62 -12.101 -4.412 18.758 1.00 0.00 O ATOM 991 CB ARG A 62 -11.907 -1.489 17.839 1.00 0.00 C ATOM 992 CG ARG A 62 -12.610 -2.450 16.897 1.00 0.00 C ATOM 993 CD ARG A 62 -13.097 -1.751 15.641 1.00 0.00 C ATOM 994 NE ARG A 62 -12.048 -1.673 14.629 1.00 0.00 N ATOM 995 CZ ARG A 62 -12.255 -1.273 13.376 1.00 0.00 C ATOM 996 NH1 ARG A 62 -13.468 -0.909 12.980 1.00 0.00 N ATOM 997 NH2 ARG A 62 -11.246 -1.238 12.516 1.00 0.00 N ATOM 0 H ARG A 62 -9.576 -0.969 18.483 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.763 -2.074 19.909 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.636 -0.789 18.248 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.182 -0.901 17.276 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -11.928 -3.256 16.624 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.456 -2.908 17.409 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.956 -2.286 15.236 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.437 -0.746 15.892 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.101 -1.941 14.897 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.248 -0.935 13.637 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.620 -0.603 12.019 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.312 -1.518 12.814 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.404 -0.932 11.556 1.00 0.00 H new ATOM 1011 N TYR A 63 -9.926 -4.141 18.294 1.00 0.00 N ATOM 1012 CA TYR A 63 -9.724 -5.540 17.943 1.00 0.00 C ATOM 1013 C TYR A 63 -9.348 -6.314 19.180 1.00 0.00 C ATOM 1014 O TYR A 63 -9.944 -7.342 19.497 1.00 0.00 O ATOM 1015 CB TYR A 63 -8.642 -5.667 16.872 1.00 0.00 C ATOM 1016 CG TYR A 63 -8.551 -7.032 16.232 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -8.177 -8.147 16.970 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -8.838 -7.204 14.883 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -8.092 -9.395 16.381 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -8.756 -8.447 14.288 1.00 0.00 C ATOM 1021 CZ TYR A 63 -8.382 -9.539 15.041 1.00 0.00 C ATOM 1022 OH TYR A 63 -8.298 -10.780 14.454 1.00 0.00 O ATOM 0 H TYR A 63 -9.090 -3.561 18.219 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.648 -5.950 17.536 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.830 -4.927 16.094 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.677 -5.423 17.317 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.949 -8.038 18.020 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.130 -6.350 14.290 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.800 -10.253 16.968 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.984 -8.563 13.239 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.535 -10.710 13.506 1.00 0.00 H new ATOM 1032 N HIS A 64 -8.371 -5.793 19.894 1.00 0.00 N ATOM 1033 CA HIS A 64 -7.934 -6.405 21.107 1.00 0.00 C ATOM 1034 C HIS A 64 -8.973 -6.182 22.191 1.00 0.00 C ATOM 1035 O HIS A 64 -8.885 -6.772 23.257 1.00 0.00 O ATOM 1036 CB HIS A 64 -6.589 -5.830 21.509 1.00 0.00 C ATOM 1037 CG HIS A 64 -6.714 -4.622 22.358 1.00 0.00 C ATOM 1038 ND1 HIS A 64 -7.658 -3.673 22.118 1.00 0.00 N ATOM 1039 CD2 HIS A 64 -6.031 -4.216 23.442 1.00 0.00 C ATOM 1040 CE1 HIS A 64 -7.563 -2.717 23.010 1.00 0.00 C ATOM 1041 NE2 HIS A 64 -6.579 -3.020 23.838 1.00 0.00 N ATOM 0 H HIS A 64 -7.869 -4.941 19.643 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.817 -7.479 20.962 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.020 -6.589 22.046 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.022 -5.581 20.612 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -8.338 -3.701 21.358 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.207 -4.732 23.913 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.182 -1.834 23.060 1.00 0.00 H new ATOM 1050 N ASP A 65 -9.924 -5.276 21.920 1.00 0.00 N ATOM 1051 CA ASP A 65 -10.970 -4.942 22.883 1.00 0.00 C ATOM 1052 C ASP A 65 -12.242 -5.735 22.623 1.00 0.00 C ATOM 1053 O ASP A 65 -13.109 -5.824 23.493 1.00 0.00 O ATOM 1054 CB ASP A 65 -11.280 -3.454 22.836 1.00 0.00 C ATOM 1055 CG ASP A 65 -12.361 -3.049 23.821 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -12.018 -2.709 24.973 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -13.550 -3.070 23.438 1.00 0.00 O ATOM 0 H ASP A 65 -9.986 -4.764 21.040 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.598 -5.205 23.873 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.371 -2.891 23.049 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.594 -3.184 21.828 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.370 -6.296 21.425 1.00 0.00 N ATOM 1063 CA GLU A 66 -13.559 -7.053 21.085 1.00 0.00 C ATOM 1064 C GLU A 66 -13.185 -8.435 20.597 1.00 0.00 C ATOM 1065 O GLU A 66 -13.826 -9.423 20.954 1.00 0.00 O ATOM 1066 CB GLU A 66 -14.369 -6.323 20.012 1.00 0.00 C ATOM 1067 CG GLU A 66 -14.517 -4.833 20.272 1.00 0.00 C ATOM 1068 CD GLU A 66 -15.937 -4.441 20.636 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -16.542 -5.127 21.486 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -16.442 -3.449 20.070 1.00 0.00 O ATOM 0 H GLU A 66 -11.671 -6.240 20.684 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.170 -7.150 21.982 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.889 -6.469 19.044 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.360 -6.773 19.948 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.845 -4.541 21.079 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.208 -4.281 19.384 1.00 0.00 H new ATOM 1077 N MET A 67 -12.161 -8.509 19.762 1.00 0.00 N ATOM 1078 CA MET A 67 -11.741 -9.777 19.222 1.00 0.00 C ATOM 1079 C MET A 67 -11.025 -10.587 20.275 1.00 0.00 C ATOM 1080 O MET A 67 -11.209 -11.798 20.352 1.00 0.00 O ATOM 1081 CB MET A 67 -10.854 -9.564 18.004 1.00 0.00 C ATOM 1082 CG MET A 67 -11.433 -8.558 17.022 1.00 0.00 C ATOM 1083 SD MET A 67 -12.425 -9.335 15.730 1.00 0.00 S ATOM 1084 CE MET A 67 -11.234 -10.453 14.993 1.00 0.00 C ATOM 0 H MET A 67 -11.613 -7.708 19.449 1.00 0.00 H new ATOM 0 HA MET A 67 -12.624 -10.334 18.908 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.872 -9.222 18.331 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.707 -10.517 17.496 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.048 -7.840 17.564 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.620 -7.997 16.562 1.00 0.00 H new ATOM 0 HE1 MET A 67 -11.702 -11.423 14.823 1.00 0.00 H new ATOM 0 HE2 MET A 67 -10.891 -10.044 14.043 1.00 0.00 H new ATOM 0 HE3 MET A 67 -10.384 -10.573 15.665 1.00 0.00 H new ATOM 1094 N ARG A 68 -10.229 -9.919 21.117 1.00 0.00 N ATOM 1095 CA ARG A 68 -9.518 -10.623 22.186 1.00 0.00 C ATOM 1096 C ARG A 68 -10.513 -11.528 22.954 1.00 0.00 C ATOM 1097 O ARG A 68 -10.152 -12.547 23.543 1.00 0.00 O ATOM 1098 CB ARG A 68 -8.886 -9.614 23.155 1.00 0.00 C ATOM 1099 CG ARG A 68 -9.837 -9.088 24.230 1.00 0.00 C ATOM 1100 CD ARG A 68 -10.737 -7.984 23.696 1.00 0.00 C ATOM 1101 NE ARG A 68 -12.100 -8.071 24.208 1.00 0.00 N ATOM 1102 CZ ARG A 68 -12.457 -7.663 25.426 1.00 0.00 C ATOM 1103 NH1 ARG A 68 -11.545 -7.192 26.268 1.00 0.00 N ATOM 1104 NH2 ARG A 68 -13.727 -7.724 25.803 1.00 0.00 N ATOM 0 H ARG A 68 -10.064 -8.913 21.081 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.728 -11.234 21.748 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.031 -10.083 23.642 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.503 -8.770 22.582 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.450 -9.907 24.605 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.259 -8.710 25.073 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.314 -7.015 23.963 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.758 -8.033 22.607 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.819 -8.465 23.601 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.567 -7.141 25.984 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.823 -6.881 27.199 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.433 -8.084 25.161 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.998 -7.411 26.735 1.00 0.00 H new ATOM 1118 N ASN A 69 -11.775 -11.084 22.918 1.00 0.00 N ATOM 1119 CA ASN A 69 -12.883 -11.774 23.587 1.00 0.00 C ATOM 1120 C ASN A 69 -13.968 -12.237 22.608 1.00 0.00 C ATOM 1121 O ASN A 69 -15.088 -12.547 23.017 1.00 0.00 O ATOM 1122 CB ASN A 69 -13.479 -10.887 24.696 1.00 0.00 C ATOM 1123 CG ASN A 69 -14.835 -10.292 24.349 1.00 0.00 C ATOM 1124 OD1 ASN A 69 -15.799 -10.439 25.100 1.00 0.00 O ATOM 1125 ND2 ASN A 69 -14.915 -9.620 23.209 1.00 0.00 N ATOM 0 H ASN A 69 -12.056 -10.237 22.424 1.00 0.00 H new ATOM 0 HA ASN A 69 -12.472 -12.676 24.041 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.575 -11.477 25.607 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.783 -10.077 24.913 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.801 -9.201 22.925 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.091 -9.522 22.616 1.00 0.00 H new ATOM 1132 N TYR A 70 -13.639 -12.296 21.320 1.00 0.00 N ATOM 1133 CA TYR A 70 -14.599 -12.730 20.305 1.00 0.00 C ATOM 1134 C TYR A 70 -15.331 -14.000 20.740 1.00 0.00 C ATOM 1135 O TYR A 70 -14.746 -14.879 21.373 1.00 0.00 O ATOM 1136 CB TYR A 70 -13.887 -12.968 18.967 1.00 0.00 C ATOM 1137 CG TYR A 70 -13.083 -14.250 18.916 1.00 0.00 C ATOM 1138 CD1 TYR A 70 -12.171 -14.564 19.915 1.00 0.00 C ATOM 1139 CD2 TYR A 70 -13.238 -15.146 17.864 1.00 0.00 C ATOM 1140 CE1 TYR A 70 -11.436 -15.734 19.868 1.00 0.00 C ATOM 1141 CE2 TYR A 70 -12.508 -16.318 17.811 1.00 0.00 C ATOM 1142 CZ TYR A 70 -11.608 -16.607 18.814 1.00 0.00 C ATOM 1143 OH TYR A 70 -10.878 -17.773 18.766 1.00 0.00 O ATOM 0 H TYR A 70 -12.719 -12.050 20.954 1.00 0.00 H new ATOM 0 HA TYR A 70 -15.337 -11.937 20.183 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -14.630 -12.986 18.170 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.223 -12.127 18.766 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.034 -13.883 20.742 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.941 -14.922 17.075 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -10.730 -15.963 20.653 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.642 -17.004 16.988 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.118 -18.277 17.960 1.00 0.00 H new ATOM 1153 N LYS A 71 -16.612 -14.086 20.396 1.00 0.00 N ATOM 1154 CA LYS A 71 -17.424 -15.246 20.750 1.00 0.00 C ATOM 1155 C LYS A 71 -16.808 -16.533 20.200 1.00 0.00 C ATOM 1156 O LYS A 71 -16.825 -16.769 18.992 1.00 0.00 O ATOM 1157 CB LYS A 71 -18.846 -15.079 20.210 1.00 0.00 C ATOM 1158 CG LYS A 71 -18.901 -14.791 18.719 1.00 0.00 C ATOM 1159 CD LYS A 71 -20.017 -13.816 18.381 1.00 0.00 C ATOM 1160 CE LYS A 71 -21.280 -14.543 17.950 1.00 0.00 C ATOM 1161 NZ LYS A 71 -22.175 -13.669 17.142 1.00 0.00 N ATOM 0 H LYS A 71 -17.111 -13.367 19.872 1.00 0.00 H new ATOM 0 HA LYS A 71 -17.458 -15.317 21.837 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.413 -15.986 20.417 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -19.336 -14.267 20.747 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.946 -14.380 18.391 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -19.052 -15.722 18.173 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -20.233 -13.193 19.249 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -19.690 -13.149 17.583 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -21.011 -15.424 17.368 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -21.815 -14.895 18.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -23.025 -14.202 16.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -22.453 -12.840 17.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -21.673 -13.354 16.287 1.00 0.00 H new ATOM 1175 N PRO A 72 -16.251 -17.386 21.079 1.00 0.00 N ATOM 1176 CA PRO A 72 -15.629 -18.651 20.667 1.00 0.00 C ATOM 1177 C PRO A 72 -16.607 -19.568 19.939 1.00 0.00 C ATOM 1178 O PRO A 72 -17.186 -20.475 20.538 1.00 0.00 O ATOM 1179 CB PRO A 72 -15.183 -19.288 21.990 1.00 0.00 C ATOM 1180 CG PRO A 72 -15.111 -18.158 22.958 1.00 0.00 C ATOM 1181 CD PRO A 72 -16.180 -17.191 22.538 1.00 0.00 C ATOM 0 HA PRO A 72 -14.812 -18.488 19.964 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.892 -20.047 22.321 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.216 -19.780 21.885 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.277 -18.505 23.978 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.128 -17.687 22.937 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.133 -17.408 23.021 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.919 -16.164 22.795 1.00 0.00 H new ATOM 1189 N GLU A 73 -16.787 -19.326 18.645 1.00 0.00 N ATOM 1190 CA GLU A 73 -17.695 -20.131 17.834 1.00 0.00 C ATOM 1191 C GLU A 73 -19.101 -20.131 18.425 1.00 0.00 C ATOM 1192 O GLU A 73 -19.499 -21.077 19.106 1.00 0.00 O ATOM 1193 CB GLU A 73 -17.176 -21.565 17.722 1.00 0.00 C ATOM 1194 CG GLU A 73 -16.188 -21.766 16.584 1.00 0.00 C ATOM 1195 CD GLU A 73 -16.283 -23.148 15.966 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -17.357 -23.775 16.079 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -15.284 -23.602 15.371 1.00 0.00 O ATOM 0 H GLU A 73 -16.316 -18.579 18.135 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.740 -19.689 16.839 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.698 -21.844 18.661 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.021 -22.239 17.582 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.368 -21.015 15.815 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.175 -21.607 16.955 1.00 0.00 H new ATOM 1204 N ALA A 74 -19.850 -19.067 18.161 1.00 0.00 N ATOM 1205 CA ALA A 74 -21.212 -18.946 18.667 1.00 0.00 C ATOM 1206 C ALA A 74 -22.126 -19.992 18.040 1.00 0.00 C ATOM 1207 O ALA A 74 -22.205 -21.112 18.587 1.00 0.00 O ATOM 1208 CB ALA A 74 -21.750 -17.547 18.404 1.00 0.00 C ATOM 1209 OXT ALA A 74 -22.756 -19.684 17.007 1.00 0.00 O ATOM 0 H ALA A 74 -19.537 -18.275 17.599 1.00 0.00 H new ATOM 0 HA ALA A 74 -21.190 -19.119 19.743 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -22.768 -17.471 18.787 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -21.118 -16.814 18.905 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -21.750 -17.353 17.331 1.00 0.00 H new TER 1215 ALA A 74