USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 564 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 50 HIS : no HE2:sc= -3.52! C(o=-3.9!,f=-10!) USER MOD Set 1.2: A 71 TYR OH : rot 72:sc= -0.412! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 30:sc= 0.547 USER MOD Single : A 10 HIS : no HD1:sc= -0.718 K(o=-0.72,f=-2!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -3.1! K(o=-3.1!,f=-1.4) USER MOD Single : A 26 THR OG1 : rot 100:sc= -1.18 USER MOD Single : A 27 GLN : amide:sc= -0.121 K(o=-0.12,f=-3.2!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0788 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 158:sc= -0.321 (180deg=-1.25) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 8:sc= 0.0501 USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= -0.0629 (180deg=-1.14) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 159:sc= -0.0192 (180deg=-0.36) USER MOD Single : A 68 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.41) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -57:sc= 0.752 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -55:sc= 0.268 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.177 -8.732 -33.209 1.00 0.00 N ATOM 2 CA GLY A 1 -25.295 -8.023 -31.948 1.00 0.00 C ATOM 3 C GLY A 1 -26.728 -7.648 -31.626 1.00 0.00 C ATOM 4 O GLY A 1 -27.596 -8.515 -31.525 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.179 -8.966 -33.384 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.736 -9.608 -33.168 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.532 -8.131 -33.980 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.896 -8.645 -31.146 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.686 -7.120 -31.984 1.00 0.00 H new ATOM 8 N SER A 2 -26.977 -6.352 -31.464 1.00 0.00 N ATOM 9 CA SER A 2 -28.314 -5.865 -31.146 1.00 0.00 C ATOM 10 C SER A 2 -28.762 -6.363 -29.775 1.00 0.00 C ATOM 11 O SER A 2 -29.902 -6.795 -29.601 1.00 0.00 O ATOM 12 CB SER A 2 -29.312 -6.315 -32.215 1.00 0.00 C ATOM 13 OG SER A 2 -28.856 -5.975 -33.513 1.00 0.00 O ATOM 0 H SER A 2 -26.271 -5.621 -31.548 1.00 0.00 H new ATOM 0 HA SER A 2 -28.281 -4.776 -31.125 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.460 -7.393 -32.149 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.280 -5.849 -32.032 1.00 0.00 H new ATOM 0 HG SER A 2 -29.510 -6.275 -34.178 1.00 0.00 H new ATOM 19 N SER A 3 -27.857 -6.298 -28.804 1.00 0.00 N ATOM 20 CA SER A 3 -28.156 -6.745 -27.449 1.00 0.00 C ATOM 21 C SER A 3 -27.801 -5.666 -26.430 1.00 0.00 C ATOM 22 O SER A 3 -27.155 -4.673 -26.760 1.00 0.00 O ATOM 23 CB SER A 3 -27.391 -8.032 -27.133 1.00 0.00 C ATOM 24 OG SER A 3 -27.691 -9.048 -28.074 1.00 0.00 O ATOM 0 H SER A 3 -26.910 -5.940 -28.931 1.00 0.00 H new ATOM 0 HA SER A 3 -29.226 -6.942 -27.386 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.319 -7.832 -27.138 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.647 -8.374 -26.130 1.00 0.00 H new ATOM 0 HG SER A 3 -27.188 -9.859 -27.851 1.00 0.00 H new ATOM 30 N GLY A 4 -28.230 -5.870 -25.188 1.00 0.00 N ATOM 31 CA GLY A 4 -27.949 -4.908 -24.139 1.00 0.00 C ATOM 32 C GLY A 4 -27.699 -5.568 -22.797 1.00 0.00 C ATOM 33 O GLY A 4 -26.609 -6.081 -22.544 1.00 0.00 O ATOM 0 H GLY A 4 -28.767 -6.684 -24.890 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.077 -4.316 -24.417 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.787 -4.217 -24.050 1.00 0.00 H new ATOM 37 N SER A 5 -28.711 -5.555 -21.935 1.00 0.00 N ATOM 38 CA SER A 5 -28.594 -6.152 -20.610 1.00 0.00 C ATOM 39 C SER A 5 -27.438 -5.530 -19.834 1.00 0.00 C ATOM 40 O SER A 5 -26.652 -6.233 -19.198 1.00 0.00 O ATOM 41 CB SER A 5 -28.390 -7.664 -20.725 1.00 0.00 C ATOM 42 OG SER A 5 -29.633 -8.344 -20.776 1.00 0.00 O ATOM 0 H SER A 5 -29.621 -5.138 -22.131 1.00 0.00 H new ATOM 0 HA SER A 5 -29.519 -5.957 -20.068 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.812 -7.889 -21.621 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.811 -8.022 -19.874 1.00 0.00 H new ATOM 0 HG SER A 5 -29.475 -9.308 -20.851 1.00 0.00 H new ATOM 48 N SER A 6 -27.340 -4.205 -19.890 1.00 0.00 N ATOM 49 CA SER A 6 -26.278 -3.487 -19.196 1.00 0.00 C ATOM 50 C SER A 6 -26.220 -3.891 -17.726 1.00 0.00 C ATOM 51 O SER A 6 -27.250 -4.077 -17.080 1.00 0.00 O ATOM 52 CB SER A 6 -26.494 -1.977 -19.313 1.00 0.00 C ATOM 53 OG SER A 6 -27.630 -1.565 -18.573 1.00 0.00 O ATOM 0 H SER A 6 -27.984 -3.608 -20.409 1.00 0.00 H new ATOM 0 HA SER A 6 -25.329 -3.749 -19.665 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.610 -1.451 -18.951 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.620 -1.705 -20.361 1.00 0.00 H new ATOM 0 HG SER A 6 -27.745 -0.596 -18.663 1.00 0.00 H new ATOM 59 N GLY A 7 -25.004 -4.025 -17.204 1.00 0.00 N ATOM 60 CA GLY A 7 -24.832 -4.407 -15.814 1.00 0.00 C ATOM 61 C GLY A 7 -23.448 -4.954 -15.530 1.00 0.00 C ATOM 62 O GLY A 7 -22.803 -5.520 -16.414 1.00 0.00 O ATOM 0 H GLY A 7 -24.136 -3.876 -17.718 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.015 -3.541 -15.177 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.577 -5.158 -15.552 1.00 0.00 H new ATOM 66 N ARG A 8 -22.988 -4.786 -14.295 1.00 0.00 N ATOM 67 CA ARG A 8 -21.670 -5.265 -13.898 1.00 0.00 C ATOM 68 C ARG A 8 -21.743 -6.025 -12.577 1.00 0.00 C ATOM 69 O ARG A 8 -22.772 -6.020 -11.900 1.00 0.00 O ATOM 70 CB ARG A 8 -20.694 -4.094 -13.771 1.00 0.00 C ATOM 71 CG ARG A 8 -20.279 -3.500 -15.107 1.00 0.00 C ATOM 72 CD ARG A 8 -19.214 -2.428 -14.934 1.00 0.00 C ATOM 73 NE ARG A 8 -18.478 -2.183 -16.171 1.00 0.00 N ATOM 74 CZ ARG A 8 -18.869 -1.318 -17.100 1.00 0.00 C ATOM 75 NH1 ARG A 8 -19.982 -0.618 -16.932 1.00 0.00 N ATOM 76 NH2 ARG A 8 -18.145 -1.150 -18.199 1.00 0.00 N ATOM 0 H ARG A 8 -23.509 -4.321 -13.551 1.00 0.00 H new ATOM 0 HA ARG A 8 -21.311 -5.946 -14.670 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -21.152 -3.314 -13.163 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.803 -4.430 -13.240 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.900 -4.290 -15.755 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -21.150 -3.072 -15.602 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.683 -1.502 -14.602 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -18.518 -2.731 -14.152 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.616 -2.705 -16.330 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.540 -0.743 -16.088 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.280 0.046 -17.647 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.287 -1.685 -18.331 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.446 -0.485 -18.912 1.00 0.00 H new ATOM 90 N THR A 9 -20.643 -6.679 -12.214 1.00 0.00 N ATOM 91 CA THR A 9 -20.582 -7.445 -10.976 1.00 0.00 C ATOM 92 C THR A 9 -19.449 -6.955 -10.082 1.00 0.00 C ATOM 93 O THR A 9 -18.276 -7.035 -10.448 1.00 0.00 O ATOM 94 CB THR A 9 -20.389 -8.948 -11.254 1.00 0.00 C ATOM 95 OG1 THR A 9 -19.177 -9.158 -11.987 1.00 0.00 O ATOM 96 CG2 THR A 9 -21.566 -9.509 -12.037 1.00 0.00 C ATOM 0 H THR A 9 -19.782 -6.693 -12.761 1.00 0.00 H new ATOM 0 HA THR A 9 -21.534 -7.297 -10.465 1.00 0.00 H new ATOM 0 HB THR A 9 -20.329 -9.468 -10.298 1.00 0.00 H new ATOM 0 HG1 THR A 9 -18.529 -8.460 -11.755 1.00 0.00 H new ATOM 0 HG21 THR A 9 -21.407 -10.571 -12.221 1.00 0.00 H new ATOM 0 HG22 THR A 9 -22.483 -9.373 -11.463 1.00 0.00 H new ATOM 0 HG23 THR A 9 -21.653 -8.985 -12.989 1.00 0.00 H new ATOM 104 N HIS A 10 -19.807 -6.448 -8.906 1.00 0.00 N ATOM 105 CA HIS A 10 -18.819 -5.946 -7.958 1.00 0.00 C ATOM 106 C HIS A 10 -18.424 -7.030 -6.959 1.00 0.00 C ATOM 107 O HIS A 10 -18.936 -7.074 -5.841 1.00 0.00 O ATOM 108 CB HIS A 10 -19.367 -4.728 -7.215 1.00 0.00 C ATOM 109 CG HIS A 10 -18.319 -3.959 -6.470 1.00 0.00 C ATOM 110 ND1 HIS A 10 -17.343 -4.562 -5.706 1.00 0.00 N ATOM 111 CD2 HIS A 10 -18.097 -2.627 -6.378 1.00 0.00 C ATOM 112 CE1 HIS A 10 -16.567 -3.635 -5.174 1.00 0.00 C ATOM 113 NE2 HIS A 10 -17.003 -2.452 -5.566 1.00 0.00 N ATOM 0 H HIS A 10 -20.773 -6.374 -8.587 1.00 0.00 H new ATOM 0 HA HIS A 10 -17.932 -5.652 -8.518 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -19.853 -4.065 -7.930 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -20.133 -5.056 -6.513 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -18.673 -1.847 -6.854 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -15.720 -3.814 -4.528 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -16.594 -1.554 -5.308 1.00 0.00 H new ATOM 121 N SER A 11 -17.511 -7.904 -7.372 1.00 0.00 N ATOM 122 CA SER A 11 -17.052 -8.991 -6.515 1.00 0.00 C ATOM 123 C SER A 11 -15.576 -8.821 -6.166 1.00 0.00 C ATOM 124 O SER A 11 -15.196 -8.850 -4.997 1.00 0.00 O ATOM 125 CB SER A 11 -17.272 -10.340 -7.204 1.00 0.00 C ATOM 126 OG SER A 11 -18.602 -10.794 -7.022 1.00 0.00 O ATOM 0 H SER A 11 -17.075 -7.880 -8.294 1.00 0.00 H new ATOM 0 HA SER A 11 -17.632 -8.963 -5.592 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.058 -10.247 -8.269 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.575 -11.075 -6.802 1.00 0.00 H new ATOM 0 HG SER A 11 -18.718 -11.656 -7.473 1.00 0.00 H new ATOM 132 N GLY A 12 -14.749 -8.643 -7.192 1.00 0.00 N ATOM 133 CA GLY A 12 -13.324 -8.471 -6.974 1.00 0.00 C ATOM 134 C GLY A 12 -12.633 -7.811 -8.151 1.00 0.00 C ATOM 135 O GLY A 12 -12.168 -8.490 -9.066 1.00 0.00 O ATOM 0 H GLY A 12 -15.040 -8.615 -8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.167 -7.868 -6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -12.868 -9.443 -6.788 1.00 0.00 H new ATOM 139 N GLU A 13 -12.568 -6.484 -8.129 1.00 0.00 N ATOM 140 CA GLU A 13 -11.931 -5.733 -9.204 1.00 0.00 C ATOM 141 C GLU A 13 -10.572 -5.196 -8.763 1.00 0.00 C ATOM 142 O GLU A 13 -9.603 -5.227 -9.521 1.00 0.00 O ATOM 143 CB GLU A 13 -12.828 -4.576 -9.650 1.00 0.00 C ATOM 144 CG GLU A 13 -13.190 -3.619 -8.526 1.00 0.00 C ATOM 145 CD GLU A 13 -14.255 -4.180 -7.603 1.00 0.00 C ATOM 146 OE1 GLU A 13 -15.425 -4.263 -8.031 1.00 0.00 O ATOM 147 OE2 GLU A 13 -13.918 -4.534 -6.454 1.00 0.00 O ATOM 0 H GLU A 13 -12.948 -5.907 -7.379 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.779 -6.411 -10.044 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.324 -4.020 -10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.744 -4.982 -10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.296 -3.390 -7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.542 -2.680 -8.953 1.00 0.00 H new ATOM 154 N LYS A 14 -10.509 -4.704 -7.530 1.00 0.00 N ATOM 155 CA LYS A 14 -9.271 -4.160 -6.985 1.00 0.00 C ATOM 156 C LYS A 14 -9.192 -4.391 -5.479 1.00 0.00 C ATOM 157 O LYS A 14 -9.868 -3.731 -4.689 1.00 0.00 O ATOM 158 CB LYS A 14 -9.170 -2.664 -7.288 1.00 0.00 C ATOM 159 CG LYS A 14 -8.940 -2.355 -8.758 1.00 0.00 C ATOM 160 CD LYS A 14 -9.365 -0.938 -9.103 1.00 0.00 C ATOM 161 CE LYS A 14 -8.989 -0.575 -10.531 1.00 0.00 C ATOM 162 NZ LYS A 14 -9.728 0.625 -11.012 1.00 0.00 N ATOM 0 H LYS A 14 -11.302 -4.671 -6.889 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.437 -4.677 -7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.087 -2.173 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.354 -2.238 -6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.885 -2.488 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.498 -3.063 -9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.443 -0.839 -8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.895 -0.238 -8.413 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.917 -0.388 -10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.200 -1.419 -11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.443 0.839 -11.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.751 0.438 -10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.507 1.437 -10.401 1.00 0.00 H new ATOM 176 N PRO A 15 -8.347 -5.348 -5.070 1.00 0.00 N ATOM 177 CA PRO A 15 -8.158 -5.686 -3.656 1.00 0.00 C ATOM 178 C PRO A 15 -7.437 -4.584 -2.887 1.00 0.00 C ATOM 179 O PRO A 15 -7.203 -4.703 -1.684 1.00 0.00 O ATOM 180 CB PRO A 15 -7.300 -6.953 -3.705 1.00 0.00 C ATOM 181 CG PRO A 15 -6.575 -6.869 -5.004 1.00 0.00 C ATOM 182 CD PRO A 15 -7.509 -6.174 -5.955 1.00 0.00 C ATOM 0 HA PRO A 15 -9.108 -5.818 -3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.606 -6.994 -2.866 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.916 -7.851 -3.653 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.644 -6.313 -4.896 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.313 -7.862 -5.370 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.966 -5.565 -6.678 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.106 -6.887 -6.524 1.00 0.00 H new ATOM 190 N TYR A 16 -7.087 -3.512 -3.589 1.00 0.00 N ATOM 191 CA TYR A 16 -6.391 -2.389 -2.973 1.00 0.00 C ATOM 192 C TYR A 16 -7.102 -1.074 -3.277 1.00 0.00 C ATOM 193 O TYR A 16 -7.743 -0.928 -4.317 1.00 0.00 O ATOM 194 CB TYR A 16 -4.944 -2.325 -3.467 1.00 0.00 C ATOM 195 CG TYR A 16 -4.052 -3.389 -2.868 1.00 0.00 C ATOM 196 CD1 TYR A 16 -3.456 -3.205 -1.627 1.00 0.00 C ATOM 197 CD2 TYR A 16 -3.805 -4.578 -3.543 1.00 0.00 C ATOM 198 CE1 TYR A 16 -2.640 -4.173 -1.076 1.00 0.00 C ATOM 199 CE2 TYR A 16 -2.992 -5.553 -2.999 1.00 0.00 C ATOM 200 CZ TYR A 16 -2.411 -5.346 -1.765 1.00 0.00 C ATOM 201 OH TYR A 16 -1.599 -6.314 -1.221 1.00 0.00 O ATOM 0 H TYR A 16 -7.274 -3.397 -4.585 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.393 -2.541 -1.894 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.935 -2.424 -4.552 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.532 -1.343 -3.233 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.634 -2.289 -1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.257 -4.743 -4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.183 -4.013 -0.111 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.812 -6.472 -3.537 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.544 -7.077 -1.834 1.00 0.00 H new ATOM 211 N GLU A 17 -6.982 -0.118 -2.360 1.00 0.00 N ATOM 212 CA GLU A 17 -7.614 1.185 -2.530 1.00 0.00 C ATOM 213 C GLU A 17 -6.958 2.228 -1.629 1.00 0.00 C ATOM 214 O GLU A 17 -6.572 1.934 -0.498 1.00 0.00 O ATOM 215 CB GLU A 17 -9.110 1.096 -2.220 1.00 0.00 C ATOM 216 CG GLU A 17 -9.859 2.396 -2.458 1.00 0.00 C ATOM 217 CD GLU A 17 -11.181 2.452 -1.717 1.00 0.00 C ATOM 218 OE1 GLU A 17 -11.832 1.395 -1.584 1.00 0.00 O ATOM 219 OE2 GLU A 17 -11.564 3.553 -1.270 1.00 0.00 O ATOM 0 H GLU A 17 -6.454 -0.222 -1.494 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.484 1.491 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.554 0.313 -2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.240 0.797 -1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.235 3.233 -2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.040 2.516 -3.526 1.00 0.00 H new ATOM 226 N CYS A 18 -6.834 3.449 -2.141 1.00 0.00 N ATOM 227 CA CYS A 18 -6.225 4.537 -1.386 1.00 0.00 C ATOM 228 C CYS A 18 -7.189 5.075 -0.332 1.00 0.00 C ATOM 229 O CYS A 18 -8.302 5.494 -0.651 1.00 0.00 O ATOM 230 CB CYS A 18 -5.801 5.665 -2.329 1.00 0.00 C ATOM 231 SG CYS A 18 -4.825 6.977 -1.526 1.00 0.00 S ATOM 0 H CYS A 18 -7.148 3.709 -3.076 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.343 4.145 -0.879 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.217 5.241 -3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.693 6.109 -2.771 1.00 0.00 H new ATOM 236 N TYR A 19 -6.753 5.059 0.922 1.00 0.00 N ATOM 237 CA TYR A 19 -7.578 5.544 2.023 1.00 0.00 C ATOM 238 C TYR A 19 -7.484 7.061 2.147 1.00 0.00 C ATOM 239 O TYR A 19 -7.819 7.632 3.186 1.00 0.00 O ATOM 240 CB TYR A 19 -7.149 4.886 3.336 1.00 0.00 C ATOM 241 CG TYR A 19 -5.653 4.710 3.465 1.00 0.00 C ATOM 242 CD1 TYR A 19 -4.817 5.806 3.640 1.00 0.00 C ATOM 243 CD2 TYR A 19 -5.076 3.447 3.413 1.00 0.00 C ATOM 244 CE1 TYR A 19 -3.450 5.649 3.757 1.00 0.00 C ATOM 245 CE2 TYR A 19 -3.709 3.281 3.531 1.00 0.00 C ATOM 246 CZ TYR A 19 -2.900 4.385 3.703 1.00 0.00 C ATOM 247 OH TYR A 19 -1.539 4.225 3.821 1.00 0.00 O ATOM 0 H TYR A 19 -5.834 4.716 1.202 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.614 5.279 1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.508 5.490 4.169 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.629 3.911 3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.243 6.797 3.685 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.706 2.580 3.278 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.814 6.512 3.890 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.277 2.292 3.489 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.315 3.273 3.763 1.00 0.00 H new ATOM 257 N ILE A 20 -7.028 7.708 1.080 1.00 0.00 N ATOM 258 CA ILE A 20 -6.892 9.160 1.068 1.00 0.00 C ATOM 259 C ILE A 20 -7.864 9.794 0.080 1.00 0.00 C ATOM 260 O ILE A 20 -8.578 10.740 0.415 1.00 0.00 O ATOM 261 CB ILE A 20 -5.457 9.588 0.707 1.00 0.00 C ATOM 262 CG1 ILE A 20 -4.459 8.999 1.706 1.00 0.00 C ATOM 263 CG2 ILE A 20 -5.349 11.105 0.674 1.00 0.00 C ATOM 264 CD1 ILE A 20 -3.015 9.171 1.290 1.00 0.00 C ATOM 0 H ILE A 20 -6.747 7.250 0.213 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.123 9.508 2.075 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.218 9.205 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.608 9.471 2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.668 7.937 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.329 11.392 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.036 11.503 -0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.604 11.509 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.364 8.730 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.850 8.674 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.789 10.233 1.191 1.00 0.00 H new ATOM 276 N CYS A 21 -7.887 9.267 -1.140 1.00 0.00 N ATOM 277 CA CYS A 21 -8.773 9.781 -2.178 1.00 0.00 C ATOM 278 C CYS A 21 -9.775 8.716 -2.613 1.00 0.00 C ATOM 279 O CYS A 21 -10.678 8.985 -3.407 1.00 0.00 O ATOM 280 CB CYS A 21 -7.958 10.253 -3.384 1.00 0.00 C ATOM 281 SG CYS A 21 -7.019 8.930 -4.212 1.00 0.00 S ATOM 0 H CYS A 21 -7.302 8.485 -1.434 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.324 10.627 -1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.632 10.712 -4.107 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.264 11.028 -3.059 1.00 0.00 H new ATOM 286 N HIS A 22 -9.610 7.506 -2.089 1.00 0.00 N ATOM 287 CA HIS A 22 -10.501 6.400 -2.422 1.00 0.00 C ATOM 288 C HIS A 22 -10.225 5.886 -3.832 1.00 0.00 C ATOM 289 O HIS A 22 -11.127 5.395 -4.511 1.00 0.00 O ATOM 290 CB HIS A 22 -11.960 6.839 -2.303 1.00 0.00 C ATOM 291 CG HIS A 22 -12.241 7.659 -1.081 1.00 0.00 C ATOM 292 ND1 HIS A 22 -12.756 7.125 0.082 1.00 0.00 N ATOM 293 CD2 HIS A 22 -12.075 8.981 -0.844 1.00 0.00 C ATOM 294 CE1 HIS A 22 -12.895 8.083 0.980 1.00 0.00 C ATOM 295 NE2 HIS A 22 -12.488 9.220 0.443 1.00 0.00 N ATOM 0 H HIS A 22 -8.868 7.266 -1.432 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.315 5.591 -1.716 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.231 7.416 -3.188 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.597 5.955 -2.292 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -11.689 9.712 -1.539 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.276 7.959 1.983 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -12.482 10.127 0.909 1.00 0.00 H new ATOM 303 N ALA A 23 -8.975 6.004 -4.266 1.00 0.00 N ATOM 304 CA ALA A 23 -8.581 5.551 -5.594 1.00 0.00 C ATOM 305 C ALA A 23 -8.232 4.066 -5.586 1.00 0.00 C ATOM 306 O ALA A 23 -7.188 3.667 -5.070 1.00 0.00 O ATOM 307 CB ALA A 23 -7.404 6.369 -6.103 1.00 0.00 C ATOM 0 H ALA A 23 -8.217 6.410 -3.717 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.427 5.695 -6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.120 6.020 -7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.687 7.420 -6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.560 6.254 -5.423 1.00 0.00 H new ATOM 313 N ARG A 24 -9.112 3.253 -6.161 1.00 0.00 N ATOM 314 CA ARG A 24 -8.898 1.812 -6.218 1.00 0.00 C ATOM 315 C ARG A 24 -7.657 1.480 -7.041 1.00 0.00 C ATOM 316 O ARG A 24 -7.236 2.262 -7.894 1.00 0.00 O ATOM 317 CB ARG A 24 -10.121 1.116 -6.817 1.00 0.00 C ATOM 318 CG ARG A 24 -11.418 1.432 -6.090 1.00 0.00 C ATOM 319 CD ARG A 24 -11.689 0.434 -4.975 1.00 0.00 C ATOM 320 NE ARG A 24 -13.043 0.561 -4.443 1.00 0.00 N ATOM 321 CZ ARG A 24 -13.690 -0.427 -3.835 1.00 0.00 C ATOM 322 NH1 ARG A 24 -13.109 -1.609 -3.682 1.00 0.00 N ATOM 323 NH2 ARG A 24 -14.920 -0.233 -3.378 1.00 0.00 N ATOM 0 H ARG A 24 -9.980 3.568 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.746 1.452 -5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.220 1.409 -7.862 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.959 0.038 -6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.368 2.438 -5.675 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.246 1.421 -6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.541 -0.578 -5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.968 0.584 -4.171 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.518 1.458 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.163 -1.761 -4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.608 -2.366 -3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.370 0.675 -3.493 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.416 -0.992 -2.911 1.00 0.00 H new ATOM 337 N PHE A 25 -7.074 0.314 -6.780 1.00 0.00 N ATOM 338 CA PHE A 25 -5.881 -0.121 -7.495 1.00 0.00 C ATOM 339 C PHE A 25 -5.862 -1.640 -7.649 1.00 0.00 C ATOM 340 O PHE A 25 -6.072 -2.376 -6.685 1.00 0.00 O ATOM 341 CB PHE A 25 -4.622 0.343 -6.759 1.00 0.00 C ATOM 342 CG PHE A 25 -4.393 1.825 -6.839 1.00 0.00 C ATOM 343 CD1 PHE A 25 -3.741 2.381 -7.928 1.00 0.00 C ATOM 344 CD2 PHE A 25 -4.830 2.663 -5.826 1.00 0.00 C ATOM 345 CE1 PHE A 25 -3.529 3.745 -8.004 1.00 0.00 C ATOM 346 CE2 PHE A 25 -4.621 4.027 -5.896 1.00 0.00 C ATOM 347 CZ PHE A 25 -3.971 4.569 -6.988 1.00 0.00 C ATOM 0 H PHE A 25 -7.409 -0.346 -6.078 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.900 0.327 -8.488 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.695 0.051 -5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.757 -0.173 -7.175 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.395 1.742 -8.726 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.340 2.245 -4.971 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.018 4.166 -8.857 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.965 4.669 -5.098 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.809 5.635 -7.047 1.00 0.00 H new ATOM 357 N THR A 26 -5.611 -2.102 -8.870 1.00 0.00 N ATOM 358 CA THR A 26 -5.567 -3.531 -9.152 1.00 0.00 C ATOM 359 C THR A 26 -4.306 -4.166 -8.578 1.00 0.00 C ATOM 360 O THR A 26 -4.220 -5.387 -8.447 1.00 0.00 O ATOM 361 CB THR A 26 -5.623 -3.806 -10.667 1.00 0.00 C ATOM 362 OG1 THR A 26 -4.297 -3.860 -11.204 1.00 0.00 O ATOM 363 CG2 THR A 26 -6.423 -2.729 -11.383 1.00 0.00 C ATOM 0 H THR A 26 -5.435 -1.507 -9.679 1.00 0.00 H new ATOM 0 HA THR A 26 -6.442 -3.974 -8.677 1.00 0.00 H new ATOM 0 HB THR A 26 -6.116 -4.766 -10.822 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.025 -4.795 -11.310 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.449 -2.944 -12.451 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.440 -2.711 -10.992 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.954 -1.759 -11.220 1.00 0.00 H new ATOM 371 N GLN A 27 -3.330 -3.330 -8.238 1.00 0.00 N ATOM 372 CA GLN A 27 -2.073 -3.812 -7.677 1.00 0.00 C ATOM 373 C GLN A 27 -1.701 -3.029 -6.422 1.00 0.00 C ATOM 374 O GLN A 27 -2.283 -1.983 -6.136 1.00 0.00 O ATOM 375 CB GLN A 27 -0.953 -3.701 -8.713 1.00 0.00 C ATOM 376 CG GLN A 27 -1.278 -4.377 -10.035 1.00 0.00 C ATOM 377 CD GLN A 27 -1.088 -5.880 -9.984 1.00 0.00 C ATOM 378 OE1 GLN A 27 -1.159 -6.491 -8.917 1.00 0.00 O ATOM 379 NE2 GLN A 27 -0.846 -6.486 -11.140 1.00 0.00 N ATOM 0 H GLN A 27 -3.385 -2.317 -8.341 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.203 -4.859 -7.404 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.741 -2.647 -8.896 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.045 -4.142 -8.303 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.309 -4.154 -10.309 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.643 -3.961 -10.817 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.796 -5.941 -12.001 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.711 -7.497 -11.168 1.00 0.00 H new ATOM 388 N SER A 28 -0.728 -3.543 -5.677 1.00 0.00 N ATOM 389 CA SER A 28 -0.281 -2.894 -4.450 1.00 0.00 C ATOM 390 C SER A 28 0.791 -1.850 -4.747 1.00 0.00 C ATOM 391 O SER A 28 0.704 -0.709 -4.295 1.00 0.00 O ATOM 392 CB SER A 28 0.262 -3.933 -3.467 1.00 0.00 C ATOM 393 OG SER A 28 1.337 -4.660 -4.036 1.00 0.00 O ATOM 0 H SER A 28 -0.234 -4.407 -5.901 1.00 0.00 H new ATOM 0 HA SER A 28 -1.138 -2.392 -4.001 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.596 -3.437 -2.556 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.535 -4.620 -3.182 1.00 0.00 H new ATOM 0 HG SER A 28 1.668 -5.316 -3.388 1.00 0.00 H new ATOM 399 N GLY A 29 1.802 -2.250 -5.512 1.00 0.00 N ATOM 400 CA GLY A 29 2.877 -1.338 -5.857 1.00 0.00 C ATOM 401 C GLY A 29 2.366 -0.021 -6.407 1.00 0.00 C ATOM 402 O GLY A 29 2.841 1.048 -6.022 1.00 0.00 O ATOM 0 H GLY A 29 1.896 -3.189 -5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.485 -1.147 -4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.526 -1.809 -6.595 1.00 0.00 H new ATOM 406 N THR A 30 1.395 -0.096 -7.312 1.00 0.00 N ATOM 407 CA THR A 30 0.821 1.099 -7.918 1.00 0.00 C ATOM 408 C THR A 30 0.174 1.992 -6.865 1.00 0.00 C ATOM 409 O THR A 30 0.403 3.201 -6.838 1.00 0.00 O ATOM 410 CB THR A 30 -0.229 0.738 -8.985 1.00 0.00 C ATOM 411 OG1 THR A 30 0.361 -0.092 -9.992 1.00 0.00 O ATOM 412 CG2 THR A 30 -0.801 1.993 -9.627 1.00 0.00 C ATOM 0 H THR A 30 0.990 -0.972 -7.641 1.00 0.00 H new ATOM 0 HA THR A 30 1.640 1.638 -8.394 1.00 0.00 H new ATOM 0 HB THR A 30 -1.039 0.196 -8.497 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.314 -0.319 -10.666 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.540 1.713 -10.377 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.275 2.609 -8.863 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.002 2.557 -10.102 1.00 0.00 H new ATOM 420 N MET A 31 -0.636 1.389 -6.001 1.00 0.00 N ATOM 421 CA MET A 31 -1.315 2.131 -4.945 1.00 0.00 C ATOM 422 C MET A 31 -0.307 2.812 -4.024 1.00 0.00 C ATOM 423 O MET A 31 -0.355 4.026 -3.824 1.00 0.00 O ATOM 424 CB MET A 31 -2.215 1.197 -4.134 1.00 0.00 C ATOM 425 CG MET A 31 -3.087 1.922 -3.121 1.00 0.00 C ATOM 426 SD MET A 31 -3.862 0.799 -1.942 1.00 0.00 S ATOM 427 CE MET A 31 -2.419 0.108 -1.135 1.00 0.00 C ATOM 0 H MET A 31 -0.838 0.389 -6.011 1.00 0.00 H new ATOM 0 HA MET A 31 -1.930 2.900 -5.413 1.00 0.00 H new ATOM 0 HB2 MET A 31 -2.854 0.638 -4.817 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.593 0.470 -3.612 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.481 2.649 -2.580 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.861 2.481 -3.647 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.701 -0.284 -0.158 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.012 -0.698 -1.745 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.665 0.885 -1.010 1.00 0.00 H new ATOM 437 N LYS A 32 0.605 2.023 -3.466 1.00 0.00 N ATOM 438 CA LYS A 32 1.625 2.549 -2.567 1.00 0.00 C ATOM 439 C LYS A 32 2.329 3.751 -3.187 1.00 0.00 C ATOM 440 O LYS A 32 2.527 4.773 -2.530 1.00 0.00 O ATOM 441 CB LYS A 32 2.648 1.461 -2.232 1.00 0.00 C ATOM 442 CG LYS A 32 2.103 0.369 -1.328 1.00 0.00 C ATOM 443 CD LYS A 32 2.803 -0.957 -1.570 1.00 0.00 C ATOM 444 CE LYS A 32 2.434 -1.984 -0.510 1.00 0.00 C ATOM 445 NZ LYS A 32 3.305 -1.875 0.693 1.00 0.00 N ATOM 0 H LYS A 32 0.658 1.016 -3.621 1.00 0.00 H new ATOM 0 HA LYS A 32 1.134 2.872 -1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.002 1.010 -3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.511 1.922 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.228 0.662 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.033 0.253 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.534 -1.337 -2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.882 -0.805 -1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.393 -1.847 -0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.518 -2.986 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.022 -2.591 1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.296 -2.031 0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.205 -0.927 1.109 1.00 0.00 H new ATOM 459 N MET A 33 2.704 3.622 -4.455 1.00 0.00 N ATOM 460 CA MET A 33 3.384 4.700 -5.164 1.00 0.00 C ATOM 461 C MET A 33 2.467 5.909 -5.324 1.00 0.00 C ATOM 462 O MET A 33 2.924 7.052 -5.314 1.00 0.00 O ATOM 463 CB MET A 33 3.855 4.218 -6.538 1.00 0.00 C ATOM 464 CG MET A 33 5.264 3.646 -6.531 1.00 0.00 C ATOM 465 SD MET A 33 5.415 2.186 -5.484 1.00 0.00 S ATOM 466 CE MET A 33 5.911 0.957 -6.689 1.00 0.00 C ATOM 0 H MET A 33 2.549 2.782 -5.013 1.00 0.00 H new ATOM 0 HA MET A 33 4.251 4.999 -4.574 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.165 3.458 -6.904 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.813 5.051 -7.240 1.00 0.00 H new ATOM 0 HG2 MET A 33 5.553 3.389 -7.550 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.960 4.410 -6.185 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.045 -0.005 -6.194 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.141 0.867 -7.455 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.850 1.260 -7.153 1.00 0.00 H new ATOM 476 N HIS A 34 1.172 5.649 -5.471 1.00 0.00 N ATOM 477 CA HIS A 34 0.191 6.716 -5.632 1.00 0.00 C ATOM 478 C HIS A 34 0.039 7.514 -4.340 1.00 0.00 C ATOM 479 O HIS A 34 -0.124 8.734 -4.369 1.00 0.00 O ATOM 480 CB HIS A 34 -1.161 6.137 -6.049 1.00 0.00 C ATOM 481 CG HIS A 34 -2.300 7.095 -5.885 1.00 0.00 C ATOM 482 ND1 HIS A 34 -2.688 7.979 -6.870 1.00 0.00 N ATOM 483 CD2 HIS A 34 -3.137 7.305 -4.842 1.00 0.00 C ATOM 484 CE1 HIS A 34 -3.714 8.691 -6.440 1.00 0.00 C ATOM 485 NE2 HIS A 34 -4.006 8.301 -5.212 1.00 0.00 N ATOM 0 H HIS A 34 0.777 4.708 -5.482 1.00 0.00 H new ATOM 0 HA HIS A 34 0.547 7.387 -6.414 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.107 5.825 -7.092 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.361 5.243 -5.459 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -2.251 8.069 -7.787 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.124 6.786 -3.895 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.227 9.461 -6.997 1.00 0.00 H new ATOM 493 N ILE A 35 0.093 6.817 -3.211 1.00 0.00 N ATOM 494 CA ILE A 35 -0.038 7.461 -1.909 1.00 0.00 C ATOM 495 C ILE A 35 1.213 8.261 -1.563 1.00 0.00 C ATOM 496 O ILE A 35 1.140 9.286 -0.884 1.00 0.00 O ATOM 497 CB ILE A 35 -0.299 6.430 -0.795 1.00 0.00 C ATOM 498 CG1 ILE A 35 -1.504 5.556 -1.151 1.00 0.00 C ATOM 499 CG2 ILE A 35 -0.524 7.134 0.535 1.00 0.00 C ATOM 500 CD1 ILE A 35 -1.820 4.508 -0.107 1.00 0.00 C ATOM 0 H ILE A 35 0.226 5.807 -3.171 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.891 8.136 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 35 0.577 5.788 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.377 6.194 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.315 5.062 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.707 6.393 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.360 7.718 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.386 7.796 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.685 3.926 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.963 3.846 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.041 4.995 0.843 1.00 0.00 H new ATOM 512 N LEU A 36 2.361 7.787 -2.036 1.00 0.00 N ATOM 513 CA LEU A 36 3.630 8.460 -1.778 1.00 0.00 C ATOM 514 C LEU A 36 3.959 9.447 -2.893 1.00 0.00 C ATOM 515 O LEU A 36 4.908 10.223 -2.787 1.00 0.00 O ATOM 516 CB LEU A 36 4.755 7.432 -1.643 1.00 0.00 C ATOM 517 CG LEU A 36 5.483 7.060 -2.935 1.00 0.00 C ATOM 518 CD1 LEU A 36 6.597 8.055 -3.226 1.00 0.00 C ATOM 519 CD2 LEU A 36 6.038 5.646 -2.846 1.00 0.00 C ATOM 0 H LEU A 36 2.439 6.940 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 36 3.537 9.014 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.488 7.817 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.339 6.523 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 36 4.767 7.097 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.104 7.774 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.174 9.054 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.312 8.051 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.553 5.398 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.739 5.582 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.220 4.943 -2.686 1.00 0.00 H new ATOM 531 N GLN A 37 3.166 9.414 -3.959 1.00 0.00 N ATOM 532 CA GLN A 37 3.373 10.308 -5.092 1.00 0.00 C ATOM 533 C GLN A 37 2.386 11.470 -5.056 1.00 0.00 C ATOM 534 O GLN A 37 2.747 12.615 -5.330 1.00 0.00 O ATOM 535 CB GLN A 37 3.228 9.540 -6.408 1.00 0.00 C ATOM 536 CG GLN A 37 4.416 8.646 -6.724 1.00 0.00 C ATOM 537 CD GLN A 37 5.520 9.381 -7.458 1.00 0.00 C ATOM 538 OE1 GLN A 37 6.079 10.353 -6.950 1.00 0.00 O ATOM 539 NE2 GLN A 37 5.840 8.919 -8.661 1.00 0.00 N ATOM 0 H GLN A 37 2.375 8.778 -4.062 1.00 0.00 H new ATOM 0 HA GLN A 37 4.383 10.711 -5.024 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.326 8.930 -6.366 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.093 10.252 -7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.813 8.234 -5.796 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.081 7.803 -7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.350 8.110 -9.044 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.576 9.373 -9.203 1.00 0.00 H new ATOM 548 N LYS A 38 1.137 11.168 -4.718 1.00 0.00 N ATOM 549 CA LYS A 38 0.096 12.187 -4.645 1.00 0.00 C ATOM 550 C LYS A 38 -0.076 12.688 -3.215 1.00 0.00 C ATOM 551 O LYS A 38 -0.386 13.858 -2.990 1.00 0.00 O ATOM 552 CB LYS A 38 -1.231 11.627 -5.163 1.00 0.00 C ATOM 553 CG LYS A 38 -1.170 11.154 -6.605 1.00 0.00 C ATOM 554 CD LYS A 38 -1.043 12.320 -7.570 1.00 0.00 C ATOM 555 CE LYS A 38 -0.335 11.909 -8.852 1.00 0.00 C ATOM 556 NZ LYS A 38 -0.637 12.838 -9.976 1.00 0.00 N ATOM 0 H LYS A 38 0.821 10.225 -4.490 1.00 0.00 H new ATOM 0 HA LYS A 38 0.399 13.026 -5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.537 10.795 -4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.999 12.395 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.322 10.481 -6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.068 10.583 -6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.034 12.706 -7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.492 13.130 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.741 11.885 -8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.637 10.898 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.136 12.523 -10.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.661 12.842 -10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.325 13.798 -9.726 1.00 0.00 H new ATOM 570 N HIS A 39 0.130 11.796 -2.251 1.00 0.00 N ATOM 571 CA HIS A 39 0.000 12.149 -0.842 1.00 0.00 C ATOM 572 C HIS A 39 1.332 11.983 -0.115 1.00 0.00 C ATOM 573 O HIS A 39 1.385 11.441 0.990 1.00 0.00 O ATOM 574 CB HIS A 39 -1.070 11.285 -0.174 1.00 0.00 C ATOM 575 CG HIS A 39 -2.345 11.200 -0.956 1.00 0.00 C ATOM 576 ND1 HIS A 39 -3.168 12.285 -1.173 1.00 0.00 N ATOM 577 CD2 HIS A 39 -2.936 10.151 -1.575 1.00 0.00 C ATOM 578 CE1 HIS A 39 -4.211 11.907 -1.891 1.00 0.00 C ATOM 579 NE2 HIS A 39 -4.094 10.617 -2.148 1.00 0.00 N ATOM 0 H HIS A 39 0.388 10.824 -2.420 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.299 13.195 -0.781 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.675 10.280 -0.028 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.286 11.689 0.815 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -2.998 13.231 -0.833 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.566 9.137 -1.611 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.021 12.545 -2.213 1.00 0.00 H new ATOM 587 N THR A 40 2.406 12.452 -0.743 1.00 0.00 N ATOM 588 CA THR A 40 3.737 12.353 -0.157 1.00 0.00 C ATOM 589 C THR A 40 3.807 13.089 1.176 1.00 0.00 C ATOM 590 O THR A 40 4.460 12.632 2.113 1.00 0.00 O ATOM 591 CB THR A 40 4.810 12.924 -1.103 1.00 0.00 C ATOM 592 OG1 THR A 40 6.062 13.032 -0.416 1.00 0.00 O ATOM 593 CG2 THR A 40 4.396 14.290 -1.630 1.00 0.00 C ATOM 0 H THR A 40 2.380 12.904 -1.657 1.00 0.00 H new ATOM 0 HA THR A 40 3.933 11.293 0.006 1.00 0.00 H new ATOM 0 HB THR A 40 4.917 12.243 -1.948 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.739 13.394 -1.025 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.170 14.673 -2.296 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.458 14.200 -2.178 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.264 14.977 -0.795 1.00 0.00 H new ATOM 601 N GLU A 41 3.129 14.230 1.253 1.00 0.00 N ATOM 602 CA GLU A 41 3.116 15.029 2.472 1.00 0.00 C ATOM 603 C GLU A 41 1.848 14.768 3.280 1.00 0.00 C ATOM 604 O GLU A 41 1.822 14.962 4.495 1.00 0.00 O ATOM 605 CB GLU A 41 3.221 16.518 2.135 1.00 0.00 C ATOM 606 CG GLU A 41 4.652 17.012 2.004 1.00 0.00 C ATOM 607 CD GLU A 41 4.730 18.486 1.654 1.00 0.00 C ATOM 608 OE1 GLU A 41 4.341 18.850 0.525 1.00 0.00 O ATOM 609 OE2 GLU A 41 5.181 19.275 2.511 1.00 0.00 O ATOM 0 H GLU A 41 2.582 14.621 0.486 1.00 0.00 H new ATOM 0 HA GLU A 41 3.977 14.739 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.693 16.709 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.716 17.094 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.180 16.836 2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.164 16.432 1.236 1.00 0.00 H new ATOM 616 N ASN A 42 0.797 14.328 2.595 1.00 0.00 N ATOM 617 CA ASN A 42 -0.475 14.041 3.248 1.00 0.00 C ATOM 618 C ASN A 42 -0.454 12.661 3.898 1.00 0.00 C ATOM 619 O ASN A 42 -1.431 11.916 3.831 1.00 0.00 O ATOM 620 CB ASN A 42 -1.620 14.123 2.236 1.00 0.00 C ATOM 621 CG ASN A 42 -2.063 15.550 1.979 1.00 0.00 C ATOM 622 OD1 ASN A 42 -3.132 15.969 2.423 1.00 0.00 O ATOM 623 ND2 ASN A 42 -1.242 16.304 1.258 1.00 0.00 N ATOM 0 H ASN A 42 0.801 14.163 1.589 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.632 14.787 4.027 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.304 13.669 1.297 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.467 13.543 2.602 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.488 17.272 1.052 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.366 15.915 0.910 1.00 0.00 H new ATOM 630 N VAL A 43 0.668 12.327 4.529 1.00 0.00 N ATOM 631 CA VAL A 43 0.817 11.038 5.194 1.00 0.00 C ATOM 632 C VAL A 43 1.797 11.130 6.357 1.00 0.00 C ATOM 633 O VAL A 43 2.697 11.970 6.360 1.00 0.00 O ATOM 634 CB VAL A 43 1.301 9.954 4.213 1.00 0.00 C ATOM 635 CG1 VAL A 43 2.573 10.400 3.508 1.00 0.00 C ATOM 636 CG2 VAL A 43 1.519 8.636 4.942 1.00 0.00 C ATOM 0 H VAL A 43 1.487 12.932 4.593 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.167 10.761 5.573 1.00 0.00 H new ATOM 0 HB VAL A 43 0.530 9.802 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.899 9.621 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.379 11.317 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.354 10.582 4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.861 7.881 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.270 8.771 5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.582 8.311 5.395 1.00 0.00 H new ATOM 646 N ALA A 44 1.618 10.259 7.345 1.00 0.00 N ATOM 647 CA ALA A 44 2.489 10.240 8.514 1.00 0.00 C ATOM 648 C ALA A 44 3.648 9.268 8.319 1.00 0.00 C ATOM 649 O ALA A 44 4.803 9.679 8.203 1.00 0.00 O ATOM 650 CB ALA A 44 1.693 9.873 9.758 1.00 0.00 C ATOM 0 H ALA A 44 0.878 9.557 7.359 1.00 0.00 H new ATOM 0 HA ALA A 44 2.905 11.239 8.644 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.355 9.862 10.624 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.903 10.608 9.914 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.250 8.886 9.628 1.00 0.00 H new ATOM 656 N LYS A 45 3.333 7.978 8.285 1.00 0.00 N ATOM 657 CA LYS A 45 4.347 6.947 8.104 1.00 0.00 C ATOM 658 C LYS A 45 4.511 6.598 6.628 1.00 0.00 C ATOM 659 O LYS A 45 3.532 6.520 5.886 1.00 0.00 O ATOM 660 CB LYS A 45 3.976 5.692 8.897 1.00 0.00 C ATOM 661 CG LYS A 45 4.013 5.891 10.403 1.00 0.00 C ATOM 662 CD LYS A 45 4.270 4.583 11.132 1.00 0.00 C ATOM 663 CE LYS A 45 4.419 4.800 12.630 1.00 0.00 C ATOM 664 NZ LYS A 45 5.768 5.324 12.982 1.00 0.00 N ATOM 0 H LYS A 45 2.382 7.621 8.381 1.00 0.00 H new ATOM 0 HA LYS A 45 5.295 7.337 8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.976 5.371 8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.660 4.887 8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.792 6.609 10.657 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.067 6.316 10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.448 3.892 10.943 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.174 4.118 10.739 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.657 5.499 12.973 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.247 3.859 13.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.830 5.459 14.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.495 4.645 12.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.922 6.235 12.504 1.00 0.00 H new ATOM 678 N PHE A 46 5.755 6.388 6.209 1.00 0.00 N ATOM 679 CA PHE A 46 6.046 6.047 4.821 1.00 0.00 C ATOM 680 C PHE A 46 6.417 4.573 4.690 1.00 0.00 C ATOM 681 O PHE A 46 7.538 4.172 5.004 1.00 0.00 O ATOM 682 CB PHE A 46 7.184 6.920 4.288 1.00 0.00 C ATOM 683 CG PHE A 46 6.819 8.371 4.163 1.00 0.00 C ATOM 684 CD1 PHE A 46 6.368 9.083 5.263 1.00 0.00 C ATOM 685 CD2 PHE A 46 6.926 9.024 2.945 1.00 0.00 C ATOM 686 CE1 PHE A 46 6.030 10.418 5.150 1.00 0.00 C ATOM 687 CE2 PHE A 46 6.590 10.359 2.827 1.00 0.00 C ATOM 688 CZ PHE A 46 6.142 11.058 3.931 1.00 0.00 C ATOM 0 H PHE A 46 6.577 6.448 6.810 1.00 0.00 H new ATOM 0 HA PHE A 46 5.148 6.232 4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.044 6.826 4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.491 6.546 3.312 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.280 8.589 6.219 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.276 8.483 2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.678 10.961 6.015 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.678 10.856 1.872 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.880 12.102 3.841 1.00 0.00 H new ATOM 698 N HIS A 47 5.466 3.769 4.224 1.00 0.00 N ATOM 699 CA HIS A 47 5.691 2.338 4.051 1.00 0.00 C ATOM 700 C HIS A 47 6.380 2.054 2.720 1.00 0.00 C ATOM 701 O HIS A 47 5.823 2.314 1.653 1.00 0.00 O ATOM 702 CB HIS A 47 4.366 1.579 4.125 1.00 0.00 C ATOM 703 CG HIS A 47 3.850 1.410 5.521 1.00 0.00 C ATOM 704 ND1 HIS A 47 4.142 0.313 6.304 1.00 0.00 N ATOM 705 CD2 HIS A 47 3.057 2.207 6.275 1.00 0.00 C ATOM 706 CE1 HIS A 47 3.551 0.442 7.478 1.00 0.00 C ATOM 707 NE2 HIS A 47 2.886 1.583 7.486 1.00 0.00 N ATOM 0 H HIS A 47 4.533 4.084 3.960 1.00 0.00 H new ATOM 0 HA HIS A 47 6.341 1.997 4.857 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.620 2.108 3.532 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.494 0.596 3.672 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.637 3.157 5.979 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.603 -0.265 8.293 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.335 1.942 8.265 1.00 0.00 H new ATOM 715 N CYS A 48 7.594 1.520 2.790 1.00 0.00 N ATOM 716 CA CYS A 48 8.360 1.201 1.591 1.00 0.00 C ATOM 717 C CYS A 48 7.484 0.502 0.555 1.00 0.00 C ATOM 718 O CYS A 48 6.698 -0.391 0.872 1.00 0.00 O ATOM 719 CB CYS A 48 9.556 0.315 1.945 1.00 0.00 C ATOM 720 SG CYS A 48 10.559 -0.190 0.510 1.00 0.00 S ATOM 0 H CYS A 48 8.069 1.299 3.665 1.00 0.00 H new ATOM 0 HA CYS A 48 8.723 2.136 1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.193 0.848 2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.194 -0.578 2.454 1.00 0.00 H new ATOM 725 N PRO A 49 7.622 0.917 -0.713 1.00 0.00 N ATOM 726 CA PRO A 49 6.853 0.344 -1.821 1.00 0.00 C ATOM 727 C PRO A 49 7.273 -1.086 -2.140 1.00 0.00 C ATOM 728 O PRO A 49 6.795 -1.684 -3.105 1.00 0.00 O ATOM 729 CB PRO A 49 7.178 1.272 -2.995 1.00 0.00 C ATOM 730 CG PRO A 49 8.507 1.855 -2.660 1.00 0.00 C ATOM 731 CD PRO A 49 8.540 1.977 -1.162 1.00 0.00 C ATOM 0 HA PRO A 49 5.790 0.282 -1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.212 0.723 -3.936 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.422 2.049 -3.107 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.315 1.216 -3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.637 2.828 -3.134 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.546 1.830 -0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.209 2.962 -0.832 1.00 0.00 H new ATOM 739 N HIS A 50 8.169 -1.631 -1.324 1.00 0.00 N ATOM 740 CA HIS A 50 8.653 -2.993 -1.519 1.00 0.00 C ATOM 741 C HIS A 50 8.436 -3.832 -0.263 1.00 0.00 C ATOM 742 O HIS A 50 7.666 -4.793 -0.271 1.00 0.00 O ATOM 743 CB HIS A 50 10.137 -2.982 -1.889 1.00 0.00 C ATOM 744 CG HIS A 50 10.471 -2.026 -2.993 1.00 0.00 C ATOM 745 ND1 HIS A 50 9.849 -2.050 -4.223 1.00 0.00 N ATOM 746 CD2 HIS A 50 11.368 -1.014 -3.045 1.00 0.00 C ATOM 747 CE1 HIS A 50 10.351 -1.094 -4.986 1.00 0.00 C ATOM 748 NE2 HIS A 50 11.274 -0.451 -4.294 1.00 0.00 N ATOM 0 H HIS A 50 8.575 -1.150 -0.521 1.00 0.00 H new ATOM 0 HA HIS A 50 8.086 -3.440 -2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 50 10.721 -2.723 -1.006 1.00 0.00 H new ATOM 0 HB3 HIS A 50 10.437 -3.987 -2.186 1.00 0.00 H new ATOM 0 HD1 HIS A 50 9.116 -2.703 -4.501 1.00 0.00 H new ATOM 0 HD2 HIS A 50 12.034 -0.706 -2.252 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.056 -0.876 -6.002 1.00 0.00 H new ATOM 756 N CYS A 51 9.121 -3.463 0.814 1.00 0.00 N ATOM 757 CA CYS A 51 9.005 -4.181 2.078 1.00 0.00 C ATOM 758 C CYS A 51 8.210 -3.368 3.095 1.00 0.00 C ATOM 759 O CYS A 51 7.720 -2.280 2.789 1.00 0.00 O ATOM 760 CB CYS A 51 10.393 -4.500 2.636 1.00 0.00 C ATOM 761 SG CYS A 51 11.347 -3.033 3.141 1.00 0.00 S ATOM 0 H CYS A 51 9.763 -2.670 0.837 1.00 0.00 H new ATOM 0 HA CYS A 51 8.473 -5.114 1.890 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.284 -5.162 3.495 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.959 -5.046 1.882 1.00 0.00 H new ATOM 766 N ASP A 52 8.086 -3.902 4.305 1.00 0.00 N ATOM 767 CA ASP A 52 7.353 -3.226 5.368 1.00 0.00 C ATOM 768 C ASP A 52 8.304 -2.468 6.289 1.00 0.00 C ATOM 769 O ASP A 52 8.682 -2.961 7.352 1.00 0.00 O ATOM 770 CB ASP A 52 6.538 -4.236 6.177 1.00 0.00 C ATOM 771 CG ASP A 52 7.322 -5.496 6.488 1.00 0.00 C ATOM 772 OD1 ASP A 52 8.234 -5.432 7.339 1.00 0.00 O ATOM 773 OD2 ASP A 52 7.023 -6.545 5.881 1.00 0.00 O ATOM 0 H ASP A 52 8.484 -4.802 4.574 1.00 0.00 H new ATOM 0 HA ASP A 52 6.674 -2.509 4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.214 -3.774 7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.637 -4.499 5.622 1.00 0.00 H new ATOM 778 N THR A 53 8.691 -1.266 5.872 1.00 0.00 N ATOM 779 CA THR A 53 9.601 -0.441 6.657 1.00 0.00 C ATOM 780 C THR A 53 9.223 1.033 6.567 1.00 0.00 C ATOM 781 O THR A 53 9.281 1.635 5.495 1.00 0.00 O ATOM 782 CB THR A 53 11.059 -0.615 6.193 1.00 0.00 C ATOM 783 OG1 THR A 53 11.577 -1.865 6.662 1.00 0.00 O ATOM 784 CG2 THR A 53 11.929 0.524 6.704 1.00 0.00 C ATOM 0 H THR A 53 8.388 -0.842 4.995 1.00 0.00 H new ATOM 0 HA THR A 53 9.515 -0.773 7.692 1.00 0.00 H new ATOM 0 HB THR A 53 11.074 -0.602 5.103 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.852 -2.390 7.061 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.954 0.380 6.364 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.550 1.471 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.907 0.538 7.794 1.00 0.00 H new ATOM 792 N VAL A 54 8.835 1.610 7.700 1.00 0.00 N ATOM 793 CA VAL A 54 8.449 3.015 7.749 1.00 0.00 C ATOM 794 C VAL A 54 9.627 3.921 7.408 1.00 0.00 C ATOM 795 O VAL A 54 10.761 3.659 7.811 1.00 0.00 O ATOM 796 CB VAL A 54 7.905 3.400 9.138 1.00 0.00 C ATOM 797 CG1 VAL A 54 7.530 4.873 9.175 1.00 0.00 C ATOM 798 CG2 VAL A 54 6.712 2.528 9.502 1.00 0.00 C ATOM 0 H VAL A 54 8.780 1.126 8.596 1.00 0.00 H new ATOM 0 HA VAL A 54 7.662 3.153 7.008 1.00 0.00 H new ATOM 0 HB VAL A 54 8.689 3.231 9.876 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.148 5.126 10.164 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.411 5.478 8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.762 5.072 8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.340 2.813 10.486 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.923 2.664 8.762 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.018 1.482 9.519 1.00 0.00 H new ATOM 808 N ILE A 55 9.351 4.987 6.665 1.00 0.00 N ATOM 809 CA ILE A 55 10.388 5.933 6.271 1.00 0.00 C ATOM 810 C ILE A 55 10.014 7.356 6.671 1.00 0.00 C ATOM 811 O ILE A 55 9.535 8.137 5.848 1.00 0.00 O ATOM 812 CB ILE A 55 10.644 5.888 4.753 1.00 0.00 C ATOM 813 CG1 ILE A 55 11.081 4.484 4.329 1.00 0.00 C ATOM 814 CG2 ILE A 55 11.696 6.916 4.363 1.00 0.00 C ATOM 815 CD1 ILE A 55 12.422 4.072 4.894 1.00 0.00 C ATOM 0 H ILE A 55 8.418 5.218 6.324 1.00 0.00 H new ATOM 0 HA ILE A 55 11.299 5.639 6.793 1.00 0.00 H new ATOM 0 HB ILE A 55 9.716 6.131 4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.326 3.766 4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.125 4.439 3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.866 6.872 3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.349 7.913 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.627 6.700 4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.668 3.067 4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.189 4.768 4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.377 4.084 5.983 1.00 0.00 H new ATOM 827 N ALA A 56 10.237 7.687 7.938 1.00 0.00 N ATOM 828 CA ALA A 56 9.927 9.018 8.446 1.00 0.00 C ATOM 829 C ALA A 56 10.221 10.087 7.399 1.00 0.00 C ATOM 830 O ALA A 56 9.304 10.667 6.816 1.00 0.00 O ATOM 831 CB ALA A 56 10.714 9.294 9.719 1.00 0.00 C ATOM 0 H ALA A 56 10.631 7.052 8.632 1.00 0.00 H new ATOM 0 HA ALA A 56 8.862 9.053 8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.473 10.291 10.087 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.452 8.555 10.476 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.782 9.234 9.507 1.00 0.00 H new ATOM 837 N ARG A 57 11.504 10.344 7.165 1.00 0.00 N ATOM 838 CA ARG A 57 11.917 11.345 6.189 1.00 0.00 C ATOM 839 C ARG A 57 11.663 10.855 4.767 1.00 0.00 C ATOM 840 O ARG A 57 12.037 9.739 4.406 1.00 0.00 O ATOM 841 CB ARG A 57 13.399 11.680 6.368 1.00 0.00 C ATOM 842 CG ARG A 57 13.832 12.938 5.632 1.00 0.00 C ATOM 843 CD ARG A 57 15.010 13.609 6.321 1.00 0.00 C ATOM 844 NE ARG A 57 16.228 12.809 6.224 1.00 0.00 N ATOM 845 CZ ARG A 57 17.054 12.850 5.184 1.00 0.00 C ATOM 846 NH1 ARG A 57 16.793 13.648 4.158 1.00 0.00 N ATOM 847 NH2 ARG A 57 18.143 12.092 5.170 1.00 0.00 N ATOM 0 H ARG A 57 12.275 9.873 7.638 1.00 0.00 H new ATOM 0 HA ARG A 57 11.325 12.245 6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 57 13.610 11.800 7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 57 13.998 10.840 6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 57 14.104 12.686 4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.996 13.635 5.577 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.182 14.588 5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.769 13.777 7.371 1.00 0.00 H new ATOM 0 HE ARG A 57 16.457 12.184 6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 57 15.957 14.232 4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 57 17.428 13.678 3.361 1.00 0.00 H new ATOM 0 HH21 ARG A 57 18.347 11.477 5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 57 18.776 12.124 4.371 1.00 0.00 H new ATOM 861 N LYS A 58 11.024 11.697 3.962 1.00 0.00 N ATOM 862 CA LYS A 58 10.720 11.352 2.578 1.00 0.00 C ATOM 863 C LYS A 58 11.993 11.014 1.809 1.00 0.00 C ATOM 864 O LYS A 58 12.200 9.871 1.404 1.00 0.00 O ATOM 865 CB LYS A 58 9.988 12.508 1.892 1.00 0.00 C ATOM 866 CG LYS A 58 9.894 12.357 0.383 1.00 0.00 C ATOM 867 CD LYS A 58 8.918 11.261 -0.008 1.00 0.00 C ATOM 868 CE LYS A 58 9.010 10.936 -1.491 1.00 0.00 C ATOM 869 NZ LYS A 58 10.335 10.358 -1.851 1.00 0.00 N ATOM 0 H LYS A 58 10.706 12.624 4.244 1.00 0.00 H new ATOM 0 HA LYS A 58 10.075 10.473 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.982 12.586 2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.501 13.441 2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.578 13.302 -0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.880 12.129 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.124 10.364 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.902 11.573 0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.222 10.232 -1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.839 11.842 -2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.249 9.818 -2.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.025 11.125 -1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.657 9.726 -1.090 1.00 0.00 H new ATOM 883 N SER A 59 12.844 12.017 1.613 1.00 0.00 N ATOM 884 CA SER A 59 14.096 11.826 0.890 1.00 0.00 C ATOM 885 C SER A 59 14.737 10.491 1.258 1.00 0.00 C ATOM 886 O SER A 59 15.019 9.665 0.389 1.00 0.00 O ATOM 887 CB SER A 59 15.064 12.971 1.195 1.00 0.00 C ATOM 888 OG SER A 59 16.174 12.947 0.314 1.00 0.00 O ATOM 0 H SER A 59 12.689 12.969 1.945 1.00 0.00 H new ATOM 0 HA SER A 59 13.875 11.821 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.544 13.925 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.411 12.893 2.225 1.00 0.00 H new ATOM 0 HG SER A 59 16.777 13.689 0.528 1.00 0.00 H new ATOM 894 N ASP A 60 14.965 10.287 2.550 1.00 0.00 N ATOM 895 CA ASP A 60 15.572 9.053 3.035 1.00 0.00 C ATOM 896 C ASP A 60 15.054 7.850 2.253 1.00 0.00 C ATOM 897 O ASP A 60 15.812 6.935 1.926 1.00 0.00 O ATOM 898 CB ASP A 60 15.286 8.870 4.526 1.00 0.00 C ATOM 899 CG ASP A 60 16.017 7.679 5.114 1.00 0.00 C ATOM 900 OD1 ASP A 60 16.518 6.844 4.331 1.00 0.00 O ATOM 901 OD2 ASP A 60 16.089 7.582 6.356 1.00 0.00 O ATOM 0 H ASP A 60 14.738 10.961 3.281 1.00 0.00 H new ATOM 0 HA ASP A 60 16.650 9.124 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 60 15.578 9.773 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.214 8.744 4.674 1.00 0.00 H new ATOM 906 N LEU A 61 13.760 7.856 1.956 1.00 0.00 N ATOM 907 CA LEU A 61 13.140 6.764 1.213 1.00 0.00 C ATOM 908 C LEU A 61 14.073 6.249 0.123 1.00 0.00 C ATOM 909 O LEU A 61 14.299 5.045 0.003 1.00 0.00 O ATOM 910 CB LEU A 61 11.820 7.228 0.593 1.00 0.00 C ATOM 911 CG LEU A 61 11.087 6.201 -0.270 1.00 0.00 C ATOM 912 CD1 LEU A 61 10.651 5.011 0.571 1.00 0.00 C ATOM 913 CD2 LEU A 61 9.887 6.839 -0.955 1.00 0.00 C ATOM 0 H LEU A 61 13.119 8.605 2.218 1.00 0.00 H new ATOM 0 HA LEU A 61 12.941 5.950 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.153 7.539 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.018 8.110 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 61 11.773 5.845 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.131 4.290 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.527 4.539 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.982 5.350 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.377 6.093 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.199 7.223 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.224 7.659 -1.590 1.00 0.00 H new ATOM 925 N GLY A 62 14.616 7.169 -0.669 1.00 0.00 N ATOM 926 CA GLY A 62 15.521 6.787 -1.737 1.00 0.00 C ATOM 927 C GLY A 62 16.688 5.958 -1.240 1.00 0.00 C ATOM 928 O GLY A 62 16.919 4.847 -1.718 1.00 0.00 O ATOM 0 H GLY A 62 14.445 8.171 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.972 6.221 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.899 7.684 -2.227 1.00 0.00 H new ATOM 932 N VAL A 63 17.429 6.499 -0.278 1.00 0.00 N ATOM 933 CA VAL A 63 18.580 5.802 0.284 1.00 0.00 C ATOM 934 C VAL A 63 18.235 4.356 0.622 1.00 0.00 C ATOM 935 O VAL A 63 19.000 3.438 0.323 1.00 0.00 O ATOM 936 CB VAL A 63 19.097 6.505 1.553 1.00 0.00 C ATOM 937 CG1 VAL A 63 20.265 5.737 2.151 1.00 0.00 C ATOM 938 CG2 VAL A 63 19.496 7.940 1.242 1.00 0.00 C ATOM 0 H VAL A 63 17.253 7.418 0.128 1.00 0.00 H new ATOM 0 HA VAL A 63 19.362 5.818 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 63 18.293 6.526 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 63 20.617 6.249 3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.942 4.729 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 63 21.075 5.681 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 63 19.859 8.422 2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 63 20.284 7.943 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.631 8.484 0.864 1.00 0.00 H new ATOM 948 N HIS A 64 17.079 4.160 1.247 1.00 0.00 N ATOM 949 CA HIS A 64 16.631 2.824 1.626 1.00 0.00 C ATOM 950 C HIS A 64 16.305 1.990 0.391 1.00 0.00 C ATOM 951 O HIS A 64 16.379 0.761 0.421 1.00 0.00 O ATOM 952 CB HIS A 64 15.405 2.913 2.534 1.00 0.00 C ATOM 953 CG HIS A 64 14.678 1.612 2.687 1.00 0.00 C ATOM 954 ND1 HIS A 64 15.080 0.623 3.560 1.00 0.00 N ATOM 955 CD2 HIS A 64 13.567 1.141 2.074 1.00 0.00 C ATOM 956 CE1 HIS A 64 14.249 -0.400 3.476 1.00 0.00 C ATOM 957 NE2 HIS A 64 13.322 -0.111 2.581 1.00 0.00 N ATOM 0 H HIS A 64 16.435 4.909 1.502 1.00 0.00 H new ATOM 0 HA HIS A 64 17.441 2.336 2.169 1.00 0.00 H new ATOM 0 HB2 HIS A 64 15.716 3.264 3.518 1.00 0.00 H new ATOM 0 HB3 HIS A 64 14.719 3.658 2.132 1.00 0.00 H new ATOM 0 HD1 HIS A 64 15.892 0.674 4.175 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.982 1.655 1.325 1.00 0.00 H new ATOM 0 HE1 HIS A 64 14.316 -1.317 4.043 1.00 0.00 H new ATOM 965 N LEU A 65 15.944 2.666 -0.695 1.00 0.00 N ATOM 966 CA LEU A 65 15.605 1.987 -1.941 1.00 0.00 C ATOM 967 C LEU A 65 16.864 1.544 -2.679 1.00 0.00 C ATOM 968 O LEU A 65 16.839 0.582 -3.446 1.00 0.00 O ATOM 969 CB LEU A 65 14.773 2.907 -2.836 1.00 0.00 C ATOM 970 CG LEU A 65 13.293 3.037 -2.473 1.00 0.00 C ATOM 971 CD1 LEU A 65 12.665 4.213 -3.206 1.00 0.00 C ATOM 972 CD2 LEU A 65 12.550 1.748 -2.792 1.00 0.00 C ATOM 0 H LEU A 65 15.879 3.683 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 65 15.019 1.101 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.220 3.901 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.845 2.545 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 65 13.216 3.221 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.612 4.290 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.180 5.132 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.753 4.060 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.499 1.859 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.635 1.533 -3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.983 0.927 -2.220 1.00 0.00 H new ATOM 984 N ARG A 66 17.964 2.251 -2.440 1.00 0.00 N ATOM 985 CA ARG A 66 19.233 1.930 -3.081 1.00 0.00 C ATOM 986 C ARG A 66 20.047 0.965 -2.224 1.00 0.00 C ATOM 987 O ARG A 66 20.787 0.129 -2.743 1.00 0.00 O ATOM 988 CB ARG A 66 20.038 3.206 -3.335 1.00 0.00 C ATOM 989 CG ARG A 66 19.329 4.204 -4.236 1.00 0.00 C ATOM 990 CD ARG A 66 20.204 5.414 -4.524 1.00 0.00 C ATOM 991 NE ARG A 66 21.263 5.107 -5.482 1.00 0.00 N ATOM 992 CZ ARG A 66 22.186 5.983 -5.862 1.00 0.00 C ATOM 993 NH1 ARG A 66 22.180 7.214 -5.369 1.00 0.00 N ATOM 994 NH2 ARG A 66 23.118 5.629 -6.738 1.00 0.00 N ATOM 0 H ARG A 66 18.002 3.050 -1.807 1.00 0.00 H new ATOM 0 HA ARG A 66 19.017 1.448 -4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 66 20.257 3.683 -2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 66 20.994 2.939 -3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.056 3.720 -5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.402 4.528 -3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 66 19.587 6.224 -4.913 1.00 0.00 H new ATOM 0 HD3 ARG A 66 20.648 5.770 -3.594 1.00 0.00 H new ATOM 0 HE ARG A 66 21.295 4.169 -5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 66 21.465 7.490 -4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 66 22.890 7.885 -5.663 1.00 0.00 H new ATOM 0 HH21 ARG A 66 23.126 4.683 -7.120 1.00 0.00 H new ATOM 0 HH22 ARG A 66 23.826 6.303 -7.029 1.00 0.00 H new ATOM 1008 N LYS A 67 19.905 1.087 -0.908 1.00 0.00 N ATOM 1009 CA LYS A 67 20.625 0.226 0.022 1.00 0.00 C ATOM 1010 C LYS A 67 19.983 -1.155 0.094 1.00 0.00 C ATOM 1011 O LYS A 67 20.547 -2.137 -0.387 1.00 0.00 O ATOM 1012 CB LYS A 67 20.656 0.859 1.415 1.00 0.00 C ATOM 1013 CG LYS A 67 21.858 1.758 1.649 1.00 0.00 C ATOM 1014 CD LYS A 67 22.299 1.732 3.103 1.00 0.00 C ATOM 1015 CE LYS A 67 21.321 2.479 3.996 1.00 0.00 C ATOM 1016 NZ LYS A 67 20.249 1.585 4.515 1.00 0.00 N ATOM 0 H LYS A 67 19.297 1.774 -0.462 1.00 0.00 H new ATOM 0 HA LYS A 67 21.646 0.114 -0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.745 1.439 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.654 0.068 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.682 1.438 1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 67 21.611 2.780 1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 67 22.385 0.699 3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 67 23.289 2.179 3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.860 2.923 4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.871 3.298 3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.828 2.007 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.515 1.466 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 20.655 0.657 4.752 1.00 0.00 H new ATOM 1030 N GLN A 68 18.800 -1.222 0.696 1.00 0.00 N ATOM 1031 CA GLN A 68 18.081 -2.484 0.829 1.00 0.00 C ATOM 1032 C GLN A 68 17.775 -3.083 -0.540 1.00 0.00 C ATOM 1033 O GLN A 68 17.976 -4.277 -0.766 1.00 0.00 O ATOM 1034 CB GLN A 68 16.782 -2.276 1.610 1.00 0.00 C ATOM 1035 CG GLN A 68 16.984 -2.192 3.115 1.00 0.00 C ATOM 1036 CD GLN A 68 17.874 -3.298 3.646 1.00 0.00 C ATOM 1037 OE1 GLN A 68 18.931 -3.037 4.222 1.00 0.00 O ATOM 1038 NE2 GLN A 68 17.451 -4.542 3.456 1.00 0.00 N ATOM 0 H GLN A 68 18.319 -0.418 1.099 1.00 0.00 H new ATOM 0 HA GLN A 68 18.718 -3.180 1.376 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.303 -1.360 1.264 1.00 0.00 H new ATOM 0 HB3 GLN A 68 16.099 -3.096 1.389 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.422 -1.226 3.366 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.015 -2.241 3.611 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.569 -4.713 2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 68 18.008 -5.327 3.793 1.00 0.00 H new ATOM 1047 N HIS A 69 17.286 -2.247 -1.450 1.00 0.00 N ATOM 1048 CA HIS A 69 16.952 -2.694 -2.798 1.00 0.00 C ATOM 1049 C HIS A 69 17.942 -2.136 -3.816 1.00 0.00 C ATOM 1050 O HIS A 69 18.872 -1.413 -3.461 1.00 0.00 O ATOM 1051 CB HIS A 69 15.530 -2.265 -3.162 1.00 0.00 C ATOM 1052 CG HIS A 69 14.511 -2.629 -2.128 1.00 0.00 C ATOM 1053 ND1 HIS A 69 13.851 -3.841 -2.115 1.00 0.00 N ATOM 1054 CD2 HIS A 69 14.039 -1.935 -1.066 1.00 0.00 C ATOM 1055 CE1 HIS A 69 13.017 -3.874 -1.091 1.00 0.00 C ATOM 1056 NE2 HIS A 69 13.112 -2.730 -0.438 1.00 0.00 N ATOM 0 H HIS A 69 17.112 -1.257 -1.279 1.00 0.00 H new ATOM 0 HA HIS A 69 17.011 -3.782 -2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.513 -1.186 -3.313 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.253 -2.724 -4.111 1.00 0.00 H new ATOM 0 HD1 HIS A 69 13.986 -4.593 -2.790 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.336 -0.940 -0.768 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.368 -4.697 -0.832 1.00 0.00 H new ATOM 1064 N SER A 70 17.734 -2.478 -5.084 1.00 0.00 N ATOM 1065 CA SER A 70 18.610 -2.015 -6.154 1.00 0.00 C ATOM 1066 C SER A 70 17.976 -0.852 -6.911 1.00 0.00 C ATOM 1067 O SER A 70 17.071 -1.046 -7.723 1.00 0.00 O ATOM 1068 CB SER A 70 18.919 -3.160 -7.120 1.00 0.00 C ATOM 1069 OG SER A 70 19.795 -4.104 -6.529 1.00 0.00 O ATOM 0 H SER A 70 16.967 -3.074 -5.395 1.00 0.00 H new ATOM 0 HA SER A 70 19.540 -1.668 -5.704 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.992 -3.653 -7.413 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.369 -2.761 -8.029 1.00 0.00 H new ATOM 0 HG SER A 70 19.975 -4.826 -7.166 1.00 0.00 H new ATOM 1075 N TYR A 71 18.458 0.355 -6.640 1.00 0.00 N ATOM 1076 CA TYR A 71 17.938 1.551 -7.293 1.00 0.00 C ATOM 1077 C TYR A 71 19.074 2.424 -7.816 1.00 0.00 C ATOM 1078 O TYR A 71 19.033 3.649 -7.702 1.00 0.00 O ATOM 1079 CB TYR A 71 17.070 2.352 -6.320 1.00 0.00 C ATOM 1080 CG TYR A 71 15.602 1.993 -6.382 1.00 0.00 C ATOM 1081 CD1 TYR A 71 15.174 0.692 -6.148 1.00 0.00 C ATOM 1082 CD2 TYR A 71 14.644 2.956 -6.673 1.00 0.00 C ATOM 1083 CE1 TYR A 71 13.835 0.360 -6.204 1.00 0.00 C ATOM 1084 CE2 TYR A 71 13.302 2.633 -6.730 1.00 0.00 C ATOM 1085 CZ TYR A 71 12.902 1.334 -6.495 1.00 0.00 C ATOM 1086 OH TYR A 71 11.566 1.008 -6.550 1.00 0.00 O ATOM 0 H TYR A 71 19.208 0.532 -5.972 1.00 0.00 H new ATOM 0 HA TYR A 71 17.328 1.236 -8.139 1.00 0.00 H new ATOM 0 HB2 TYR A 71 17.433 2.190 -5.305 1.00 0.00 H new ATOM 0 HB3 TYR A 71 17.185 3.415 -6.534 1.00 0.00 H new ATOM 0 HD1 TYR A 71 15.901 -0.073 -5.918 1.00 0.00 H new ATOM 0 HD2 TYR A 71 14.953 3.974 -6.858 1.00 0.00 H new ATOM 0 HE1 TYR A 71 13.520 -0.657 -6.021 1.00 0.00 H new ATOM 0 HE2 TYR A 71 12.570 3.394 -6.957 1.00 0.00 H new ATOM 0 HH TYR A 71 11.234 0.833 -5.645 1.00 0.00 H new ATOM 1096 N SER A 72 20.086 1.784 -8.392 1.00 0.00 N ATOM 1097 CA SER A 72 21.236 2.500 -8.931 1.00 0.00 C ATOM 1098 C SER A 72 21.349 2.292 -10.438 1.00 0.00 C ATOM 1099 O SER A 72 22.441 2.093 -10.968 1.00 0.00 O ATOM 1100 CB SER A 72 22.522 2.036 -8.243 1.00 0.00 C ATOM 1101 OG SER A 72 23.641 2.775 -8.701 1.00 0.00 O ATOM 0 H SER A 72 20.133 0.771 -8.498 1.00 0.00 H new ATOM 0 HA SER A 72 21.093 3.563 -8.738 1.00 0.00 H new ATOM 0 HB2 SER A 72 22.423 2.152 -7.164 1.00 0.00 H new ATOM 0 HB3 SER A 72 22.679 0.975 -8.437 1.00 0.00 H new ATOM 0 HG SER A 72 23.714 2.688 -9.674 1.00 0.00 H new ATOM 1107 N GLY A 73 20.210 2.339 -11.122 1.00 0.00 N ATOM 1108 CA GLY A 73 20.201 2.153 -12.562 1.00 0.00 C ATOM 1109 C GLY A 73 20.949 3.250 -13.292 1.00 0.00 C ATOM 1110 O GLY A 73 20.538 4.411 -13.303 1.00 0.00 O ATOM 0 H GLY A 73 19.293 2.502 -10.705 1.00 0.00 H new ATOM 0 HA2 GLY A 73 20.649 1.189 -12.804 1.00 0.00 H new ATOM 0 HA3 GLY A 73 19.170 2.123 -12.915 1.00 0.00 H new ATOM 1114 N PRO A 74 22.077 2.886 -13.920 1.00 0.00 N ATOM 1115 CA PRO A 74 22.909 3.834 -14.668 1.00 0.00 C ATOM 1116 C PRO A 74 22.234 4.313 -15.949 1.00 0.00 C ATOM 1117 O PRO A 74 21.591 3.533 -16.652 1.00 0.00 O ATOM 1118 CB PRO A 74 24.164 3.022 -14.996 1.00 0.00 C ATOM 1119 CG PRO A 74 23.710 1.603 -14.989 1.00 0.00 C ATOM 1120 CD PRO A 74 22.626 1.520 -13.950 1.00 0.00 C ATOM 0 HA PRO A 74 23.108 4.740 -14.096 1.00 0.00 H new ATOM 0 HB2 PRO A 74 24.574 3.302 -15.966 1.00 0.00 H new ATOM 0 HB3 PRO A 74 24.948 3.190 -14.258 1.00 0.00 H new ATOM 0 HG2 PRO A 74 23.335 1.309 -15.969 1.00 0.00 H new ATOM 0 HG3 PRO A 74 24.534 0.931 -14.748 1.00 0.00 H new ATOM 0 HD2 PRO A 74 21.866 0.787 -14.220 1.00 0.00 H new ATOM 0 HD3 PRO A 74 23.022 1.225 -12.978 1.00 0.00 H new ATOM 1128 N SER A 75 22.384 5.600 -16.246 1.00 0.00 N ATOM 1129 CA SER A 75 21.786 6.183 -17.441 1.00 0.00 C ATOM 1130 C SER A 75 22.563 5.779 -18.690 1.00 0.00 C ATOM 1131 O SER A 75 23.672 6.258 -18.927 1.00 0.00 O ATOM 1132 CB SER A 75 21.745 7.708 -17.324 1.00 0.00 C ATOM 1133 OG SER A 75 21.146 8.109 -16.104 1.00 0.00 O ATOM 0 H SER A 75 22.914 6.258 -15.676 1.00 0.00 H new ATOM 0 HA SER A 75 20.768 5.804 -17.529 1.00 0.00 H new ATOM 0 HB2 SER A 75 22.757 8.108 -17.385 1.00 0.00 H new ATOM 0 HB3 SER A 75 21.186 8.125 -18.162 1.00 0.00 H new ATOM 0 HG SER A 75 21.133 9.088 -16.052 1.00 0.00 H new ATOM 1139 N SER A 76 21.973 4.892 -19.485 1.00 0.00 N ATOM 1140 CA SER A 76 22.610 4.419 -20.709 1.00 0.00 C ATOM 1141 C SER A 76 24.024 3.918 -20.426 1.00 0.00 C ATOM 1142 O SER A 76 24.955 4.195 -21.181 1.00 0.00 O ATOM 1143 CB SER A 76 22.652 5.537 -21.752 1.00 0.00 C ATOM 1144 OG SER A 76 23.018 5.033 -23.025 1.00 0.00 O ATOM 0 H SER A 76 21.055 4.486 -19.304 1.00 0.00 H new ATOM 0 HA SER A 76 22.020 3.590 -21.100 1.00 0.00 H new ATOM 0 HB2 SER A 76 21.675 6.017 -21.815 1.00 0.00 H new ATOM 0 HB3 SER A 76 23.364 6.302 -21.442 1.00 0.00 H new ATOM 0 HG SER A 76 23.867 4.549 -22.953 1.00 0.00 H new ATOM 1150 N GLY A 77 24.175 3.179 -19.332 1.00 0.00 N ATOM 1151 CA GLY A 77 25.477 2.651 -18.968 1.00 0.00 C ATOM 1152 C GLY A 77 25.737 1.284 -19.568 1.00 0.00 C ATOM 1153 O GLY A 77 26.869 1.009 -19.964 1.00 0.00 O ATOM 0 H GLY A 77 23.419 2.936 -18.691 1.00 0.00 H new ATOM 0 HA2 GLY A 77 26.252 3.343 -19.299 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.549 2.587 -17.882 1.00 0.00 H new TER 1157 GLY A 77 HETATM 1158 ZN ZN A 201 -4.970 8.700 -3.132 1.00 0.00 ZN HETATM 1159 ZN ZN A 401 12.100 -1.700 1.387 1.00 0.00 ZN