USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 390 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 35 HIS HD1 : A 35 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 20 LYS NZ :NH3+ -164:sc= -0.629 (180deg=-0.434) USER MOD Set 1.2: A 54 THR OG1 : rot -109:sc= -1.23 USER MOD Single : A 1 GLY N :NH3+ 169:sc= -0.0298 (180deg=-0.162) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 66:sc= 0.0264 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -4.08! C(o=-4.1!,f=-2.9!) USER MOD Single : A 26 CYS SG : rot -38:sc=-0.000622 USER MOD Single : A 27 SER OG : rot 41:sc= 0.41 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 31 THR OG1 : rot -168:sc= -0.0172 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 159:sc= -4.42! (180deg=-7.67!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -55:sc= 0.765 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -96:sc= -0.522! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -112:sc= 1.15 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -48.490 19.596 -14.272 1.00 0.00 N ATOM 2 CA GLY A 1 -47.447 19.904 -13.310 1.00 0.00 C ATOM 3 C GLY A 1 -47.599 19.121 -12.020 1.00 0.00 C ATOM 4 O GLY A 1 -47.154 19.563 -10.962 1.00 0.00 O ATOM 0 H1 GLY A 1 -48.455 20.281 -15.053 1.00 0.00 H new ATOM 0 H2 GLY A 1 -48.345 18.637 -14.646 1.00 0.00 H new ATOM 0 H3 GLY A 1 -49.418 19.649 -13.806 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -46.474 19.686 -13.751 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -47.465 20.971 -13.088 1.00 0.00 H new ATOM 8 N SER A 2 -48.229 17.954 -12.110 1.00 0.00 N ATOM 9 CA SER A 2 -48.444 17.110 -10.939 1.00 0.00 C ATOM 10 C SER A 2 -47.253 16.185 -10.711 1.00 0.00 C ATOM 11 O SER A 2 -47.411 15.049 -10.264 1.00 0.00 O ATOM 12 CB SER A 2 -49.721 16.284 -11.107 1.00 0.00 C ATOM 13 OG SER A 2 -49.851 15.811 -12.436 1.00 0.00 O ATOM 0 H SER A 2 -48.599 17.571 -12.980 1.00 0.00 H new ATOM 0 HA SER A 2 -48.551 17.758 -10.069 1.00 0.00 H new ATOM 0 HB2 SER A 2 -49.705 15.440 -10.417 1.00 0.00 H new ATOM 0 HB3 SER A 2 -50.588 16.892 -10.848 1.00 0.00 H new ATOM 0 HG SER A 2 -50.674 15.285 -12.517 1.00 0.00 H new ATOM 18 N SER A 3 -46.059 16.680 -11.022 1.00 0.00 N ATOM 19 CA SER A 3 -44.840 15.898 -10.855 1.00 0.00 C ATOM 20 C SER A 3 -44.563 15.631 -9.379 1.00 0.00 C ATOM 21 O SER A 3 -45.220 16.191 -8.502 1.00 0.00 O ATOM 22 CB SER A 3 -43.650 16.627 -11.484 1.00 0.00 C ATOM 23 OG SER A 3 -42.905 15.759 -12.321 1.00 0.00 O ATOM 0 H SER A 3 -45.910 17.619 -11.391 1.00 0.00 H new ATOM 0 HA SER A 3 -44.980 14.942 -11.360 1.00 0.00 H new ATOM 0 HB2 SER A 3 -44.006 17.479 -12.063 1.00 0.00 H new ATOM 0 HB3 SER A 3 -43.005 17.022 -10.699 1.00 0.00 H new ATOM 0 HG SER A 3 -42.152 16.249 -12.712 1.00 0.00 H new ATOM 28 N GLY A 4 -43.585 14.771 -9.112 1.00 0.00 N ATOM 29 CA GLY A 4 -43.238 14.444 -7.741 1.00 0.00 C ATOM 30 C GLY A 4 -43.202 15.666 -6.845 1.00 0.00 C ATOM 31 O GLY A 4 -42.849 16.758 -7.288 1.00 0.00 O ATOM 0 H GLY A 4 -43.027 14.295 -9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -43.961 13.730 -7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -42.264 13.955 -7.723 1.00 0.00 H new ATOM 35 N SER A 5 -43.569 15.482 -5.581 1.00 0.00 N ATOM 36 CA SER A 5 -43.583 16.579 -4.621 1.00 0.00 C ATOM 37 C SER A 5 -42.295 16.601 -3.802 1.00 0.00 C ATOM 38 O SER A 5 -42.329 16.654 -2.573 1.00 0.00 O ATOM 39 CB SER A 5 -44.790 16.455 -3.689 1.00 0.00 C ATOM 40 OG SER A 5 -44.807 15.194 -3.041 1.00 0.00 O ATOM 0 H SER A 5 -43.861 14.583 -5.198 1.00 0.00 H new ATOM 0 HA SER A 5 -43.657 17.514 -5.177 1.00 0.00 H new ATOM 0 HB2 SER A 5 -44.761 17.250 -2.944 1.00 0.00 H new ATOM 0 HB3 SER A 5 -45.709 16.586 -4.260 1.00 0.00 H new ATOM 0 HG SER A 5 -44.042 15.129 -2.432 1.00 0.00 H new ATOM 45 N SER A 6 -41.161 16.559 -4.495 1.00 0.00 N ATOM 46 CA SER A 6 -39.861 16.570 -3.833 1.00 0.00 C ATOM 47 C SER A 6 -39.101 17.854 -4.152 1.00 0.00 C ATOM 48 O SER A 6 -39.319 18.477 -5.190 1.00 0.00 O ATOM 49 CB SER A 6 -39.037 15.355 -4.263 1.00 0.00 C ATOM 50 OG SER A 6 -38.309 15.626 -5.448 1.00 0.00 O ATOM 0 H SER A 6 -41.116 16.517 -5.513 1.00 0.00 H new ATOM 0 HA SER A 6 -40.027 16.525 -2.757 1.00 0.00 H new ATOM 0 HB2 SER A 6 -38.348 15.078 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 6 -39.697 14.503 -4.425 1.00 0.00 H new ATOM 0 HG SER A 6 -37.789 14.835 -5.701 1.00 0.00 H new ATOM 55 N GLY A 7 -38.205 18.244 -3.249 1.00 0.00 N ATOM 56 CA GLY A 7 -37.426 19.450 -3.451 1.00 0.00 C ATOM 57 C GLY A 7 -36.483 19.341 -4.633 1.00 0.00 C ATOM 58 O GLY A 7 -36.625 18.449 -5.469 1.00 0.00 O ATOM 0 H GLY A 7 -38.006 17.745 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -38.100 20.293 -3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -36.851 19.662 -2.550 1.00 0.00 H new ATOM 62 N PHE A 8 -35.517 20.252 -4.704 1.00 0.00 N ATOM 63 CA PHE A 8 -34.549 20.255 -5.794 1.00 0.00 C ATOM 64 C PHE A 8 -33.776 18.941 -5.838 1.00 0.00 C ATOM 65 O PHE A 8 -33.137 18.549 -4.863 1.00 0.00 O ATOM 66 CB PHE A 8 -33.578 21.426 -5.637 1.00 0.00 C ATOM 67 CG PHE A 8 -32.145 21.055 -5.894 1.00 0.00 C ATOM 68 CD1 PHE A 8 -31.761 20.520 -7.113 1.00 0.00 C ATOM 69 CD2 PHE A 8 -31.182 21.242 -4.915 1.00 0.00 C ATOM 70 CE1 PHE A 8 -30.444 20.177 -7.352 1.00 0.00 C ATOM 71 CE2 PHE A 8 -29.863 20.901 -5.149 1.00 0.00 C ATOM 72 CZ PHE A 8 -29.493 20.368 -6.368 1.00 0.00 C ATOM 0 H PHE A 8 -35.384 20.997 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 8 -35.094 20.367 -6.731 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -33.867 22.222 -6.323 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -33.666 21.827 -4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -32.500 20.369 -7.886 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -31.465 21.658 -3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -30.158 19.760 -8.307 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -29.122 21.051 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 8 -28.463 20.101 -6.552 1.00 0.00 H new ATOM 81 N VAL A 9 -33.839 18.262 -6.980 1.00 0.00 N ATOM 82 CA VAL A 9 -33.146 16.991 -7.154 1.00 0.00 C ATOM 83 C VAL A 9 -31.717 17.069 -6.628 1.00 0.00 C ATOM 84 O VAL A 9 -30.837 17.644 -7.269 1.00 0.00 O ATOM 85 CB VAL A 9 -33.113 16.568 -8.635 1.00 0.00 C ATOM 86 CG1 VAL A 9 -32.750 17.750 -9.521 1.00 0.00 C ATOM 87 CG2 VAL A 9 -32.138 15.419 -8.839 1.00 0.00 C ATOM 0 H VAL A 9 -34.363 18.572 -7.798 1.00 0.00 H new ATOM 0 HA VAL A 9 -33.701 16.247 -6.583 1.00 0.00 H new ATOM 0 HB VAL A 9 -34.108 16.225 -8.919 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -32.732 17.431 -10.563 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -33.491 18.540 -9.396 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -31.767 18.127 -9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -32.128 15.133 -9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -31.138 15.732 -8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -32.448 14.567 -8.234 1.00 0.00 H new ATOM 97 N LYS A 10 -31.492 16.486 -5.455 1.00 0.00 N ATOM 98 CA LYS A 10 -30.169 16.487 -4.842 1.00 0.00 C ATOM 99 C LYS A 10 -29.729 15.068 -4.498 1.00 0.00 C ATOM 100 O LYS A 10 -30.543 14.144 -4.460 1.00 0.00 O ATOM 101 CB LYS A 10 -30.170 17.352 -3.579 1.00 0.00 C ATOM 102 CG LYS A 10 -30.487 16.578 -2.312 1.00 0.00 C ATOM 103 CD LYS A 10 -31.094 17.476 -1.246 1.00 0.00 C ATOM 104 CE LYS A 10 -30.019 18.161 -0.417 1.00 0.00 C ATOM 105 NZ LYS A 10 -30.598 19.147 0.537 1.00 0.00 N ATOM 0 H LYS A 10 -32.209 16.007 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 10 -29.463 16.904 -5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -29.194 17.824 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -30.900 18.153 -3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -31.178 15.768 -2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -29.576 16.120 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -31.725 18.228 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -31.737 16.885 -0.594 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -29.453 17.411 0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -29.316 18.666 -1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -29.833 19.592 1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -31.117 19.878 0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -31.249 18.661 1.186 1.00 0.00 H new ATOM 115 N THR A 11 -28.434 14.899 -4.244 1.00 0.00 N ATOM 116 CA THR A 11 -27.885 13.593 -3.903 1.00 0.00 C ATOM 117 C THR A 11 -27.015 13.672 -2.654 1.00 0.00 C ATOM 118 O THR A 11 -26.913 14.723 -2.021 1.00 0.00 O ATOM 119 CB THR A 11 -27.051 13.014 -5.060 1.00 0.00 C ATOM 120 OG1 THR A 11 -27.384 13.678 -6.285 1.00 0.00 O ATOM 121 CG2 THR A 11 -27.293 11.519 -5.206 1.00 0.00 C ATOM 0 H THR A 11 -27.746 15.652 -4.268 1.00 0.00 H new ATOM 0 HA THR A 11 -28.732 12.934 -3.712 1.00 0.00 H new ATOM 0 HB THR A 11 -25.997 13.175 -4.835 1.00 0.00 H new ATOM 0 HG1 THR A 11 -26.848 13.305 -7.016 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.693 11.132 -6.030 1.00 0.00 H new ATOM 0 HG22 THR A 11 -27.011 11.013 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 11 -28.349 11.340 -5.410 1.00 0.00 H new ATOM 129 N VAL A 12 -26.388 12.553 -2.303 1.00 0.00 N ATOM 130 CA VAL A 12 -25.524 12.496 -1.130 1.00 0.00 C ATOM 131 C VAL A 12 -24.134 11.987 -1.496 1.00 0.00 C ATOM 132 O VAL A 12 -23.980 10.863 -1.971 1.00 0.00 O ATOM 133 CB VAL A 12 -26.120 11.589 -0.038 1.00 0.00 C ATOM 134 CG1 VAL A 12 -25.114 11.369 1.081 1.00 0.00 C ATOM 135 CG2 VAL A 12 -27.410 12.187 0.504 1.00 0.00 C ATOM 0 H VAL A 12 -26.463 11.674 -2.815 1.00 0.00 H new ATOM 0 HA VAL A 12 -25.446 13.512 -0.744 1.00 0.00 H new ATOM 0 HB VAL A 12 -26.352 10.620 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -25.553 10.726 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -24.219 10.895 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -24.848 12.328 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -27.818 11.533 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -27.205 13.168 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -28.133 12.288 -0.306 1.00 0.00 H new ATOM 145 N GLU A 13 -23.125 12.823 -1.269 1.00 0.00 N ATOM 146 CA GLU A 13 -21.748 12.457 -1.575 1.00 0.00 C ATOM 147 C GLU A 13 -20.982 12.109 -0.302 1.00 0.00 C ATOM 148 O GLU A 13 -21.030 12.844 0.684 1.00 0.00 O ATOM 149 CB GLU A 13 -21.044 13.598 -2.312 1.00 0.00 C ATOM 150 CG GLU A 13 -21.665 13.928 -3.658 1.00 0.00 C ATOM 151 CD GLU A 13 -20.786 14.832 -4.500 1.00 0.00 C ATOM 152 OE1 GLU A 13 -19.903 14.306 -5.209 1.00 0.00 O ATOM 153 OE2 GLU A 13 -20.980 16.065 -4.451 1.00 0.00 O ATOM 0 H GLU A 13 -23.236 13.757 -0.875 1.00 0.00 H new ATOM 0 HA GLU A 13 -21.768 11.577 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -21.061 14.489 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -19.997 13.333 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -21.856 13.003 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -22.630 14.410 -3.500 1.00 0.00 H new ATOM 158 N ASP A 14 -20.276 10.984 -0.332 1.00 0.00 N ATOM 159 CA ASP A 14 -19.499 10.537 0.818 1.00 0.00 C ATOM 160 C ASP A 14 -18.048 10.277 0.427 1.00 0.00 C ATOM 161 O ASP A 14 -17.592 10.711 -0.632 1.00 0.00 O ATOM 162 CB ASP A 14 -20.114 9.271 1.416 1.00 0.00 C ATOM 163 CG ASP A 14 -19.841 8.041 0.572 1.00 0.00 C ATOM 164 OD1 ASP A 14 -18.661 7.794 0.248 1.00 0.00 O ATOM 165 OD2 ASP A 14 -20.809 7.327 0.235 1.00 0.00 O ATOM 0 H ASP A 14 -20.226 10.365 -1.141 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.518 11.329 1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -19.716 9.116 2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -21.191 9.407 1.518 1.00 0.00 H new ATOM 169 N LYS A 15 -17.325 9.567 1.286 1.00 0.00 N ATOM 170 CA LYS A 15 -15.926 9.248 1.031 1.00 0.00 C ATOM 171 C LYS A 15 -15.340 8.420 2.171 1.00 0.00 C ATOM 172 O LYS A 15 -15.967 8.256 3.218 1.00 0.00 O ATOM 173 CB LYS A 15 -15.114 10.533 0.850 1.00 0.00 C ATOM 174 CG LYS A 15 -15.611 11.691 1.699 1.00 0.00 C ATOM 175 CD LYS A 15 -15.835 11.271 3.141 1.00 0.00 C ATOM 176 CE LYS A 15 -16.096 12.471 4.037 1.00 0.00 C ATOM 177 NZ LYS A 15 -17.541 12.829 4.079 1.00 0.00 N ATOM 0 H LYS A 15 -17.686 9.201 2.167 1.00 0.00 H new ATOM 0 HA LYS A 15 -15.874 8.660 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.072 10.332 1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -15.141 10.825 -0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.887 12.505 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.542 12.075 1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.681 10.585 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.962 10.729 3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.746 12.253 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.521 13.324 3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.677 13.652 4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.869 13.062 3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.088 12.024 4.446 1.00 0.00 H new ATOM 187 N TYR A 16 -14.136 7.901 1.959 1.00 0.00 N ATOM 188 CA TYR A 16 -13.466 7.089 2.969 1.00 0.00 C ATOM 189 C TYR A 16 -12.436 7.913 3.735 1.00 0.00 C ATOM 190 O TYR A 16 -12.098 9.030 3.342 1.00 0.00 O ATOM 191 CB TYR A 16 -12.788 5.884 2.316 1.00 0.00 C ATOM 192 CG TYR A 16 -13.702 5.095 1.405 1.00 0.00 C ATOM 193 CD1 TYR A 16 -13.850 5.441 0.068 1.00 0.00 C ATOM 194 CD2 TYR A 16 -14.417 4.003 1.882 1.00 0.00 C ATOM 195 CE1 TYR A 16 -14.684 4.724 -0.768 1.00 0.00 C ATOM 196 CE2 TYR A 16 -15.253 3.279 1.053 1.00 0.00 C ATOM 197 CZ TYR A 16 -15.383 3.644 -0.271 1.00 0.00 C ATOM 198 OH TYR A 16 -16.214 2.926 -1.100 1.00 0.00 O ATOM 0 H TYR A 16 -13.604 8.028 1.098 1.00 0.00 H new ATOM 0 HA TYR A 16 -14.219 6.736 3.674 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.927 6.228 1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.409 5.224 3.096 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -13.303 6.286 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -14.318 3.715 2.918 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.788 5.008 -1.805 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.801 2.433 1.439 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.630 2.197 -0.594 1.00 0.00 H new ATOM 207 N LYS A 17 -11.938 7.353 4.833 1.00 0.00 N ATOM 208 CA LYS A 17 -10.944 8.032 5.656 1.00 0.00 C ATOM 209 C LYS A 17 -10.033 7.025 6.350 1.00 0.00 C ATOM 210 O LYS A 17 -10.484 5.974 6.803 1.00 0.00 O ATOM 211 CB LYS A 17 -11.633 8.916 6.699 1.00 0.00 C ATOM 212 CG LYS A 17 -10.767 9.213 7.911 1.00 0.00 C ATOM 213 CD LYS A 17 -11.250 8.459 9.138 1.00 0.00 C ATOM 214 CE LYS A 17 -12.174 9.314 9.991 1.00 0.00 C ATOM 215 NZ LYS A 17 -13.397 8.571 10.402 1.00 0.00 N ATOM 0 H LYS A 17 -12.207 6.430 5.173 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.335 8.658 5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.924 9.857 6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.550 8.427 7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.734 8.939 7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.777 10.284 8.113 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.773 7.555 8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.393 8.143 9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.639 9.652 10.879 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.461 10.205 9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.000 9.189 10.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.921 8.270 9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.125 7.734 10.956 1.00 0.00 H new ATOM 225 N CYS A 18 -8.748 7.355 6.429 1.00 0.00 N ATOM 226 CA CYS A 18 -7.772 6.480 7.069 1.00 0.00 C ATOM 227 C CYS A 18 -8.078 6.318 8.555 1.00 0.00 C ATOM 228 O CYS A 18 -8.448 7.278 9.230 1.00 0.00 O ATOM 229 CB CYS A 18 -6.359 7.037 6.885 1.00 0.00 C ATOM 230 SG CYS A 18 -5.080 6.148 7.830 1.00 0.00 S ATOM 0 H CYS A 18 -8.358 8.222 6.058 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.834 5.500 6.595 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.102 7.004 5.826 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.352 8.086 7.182 1.00 0.00 H new ATOM 234 N GLU A 19 -7.919 5.098 9.057 1.00 0.00 N ATOM 235 CA GLU A 19 -8.180 4.811 10.463 1.00 0.00 C ATOM 236 C GLU A 19 -6.961 5.141 11.319 1.00 0.00 C ATOM 237 O GLU A 19 -6.774 4.575 12.397 1.00 0.00 O ATOM 238 CB GLU A 19 -8.563 3.341 10.645 1.00 0.00 C ATOM 239 CG GLU A 19 -10.051 3.077 10.497 1.00 0.00 C ATOM 240 CD GLU A 19 -10.899 4.077 11.259 1.00 0.00 C ATOM 241 OE1 GLU A 19 -10.824 4.091 12.505 1.00 0.00 O ATOM 242 OE2 GLU A 19 -11.638 4.845 10.608 1.00 0.00 O ATOM 0 H GLU A 19 -7.611 4.293 8.512 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.011 5.437 10.787 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.022 2.740 9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.240 3.010 11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.319 3.109 9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.275 2.071 10.852 1.00 0.00 H new ATOM 247 N LYS A 20 -6.132 6.058 10.832 1.00 0.00 N ATOM 248 CA LYS A 20 -4.931 6.464 11.551 1.00 0.00 C ATOM 249 C LYS A 20 -4.825 7.984 11.619 1.00 0.00 C ATOM 250 O LYS A 20 -4.872 8.572 12.700 1.00 0.00 O ATOM 251 CB LYS A 20 -3.686 5.886 10.874 1.00 0.00 C ATOM 252 CG LYS A 20 -2.820 5.052 11.802 1.00 0.00 C ATOM 253 CD LYS A 20 -1.938 4.089 11.027 1.00 0.00 C ATOM 254 CE LYS A 20 -1.261 3.087 11.950 1.00 0.00 C ATOM 255 NZ LYS A 20 -1.100 3.624 13.329 1.00 0.00 N ATOM 0 H LYS A 20 -6.271 6.535 9.941 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.998 6.076 12.567 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.995 5.271 10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.089 6.704 10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.197 5.710 12.408 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.455 4.492 12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.539 3.557 10.289 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.181 4.649 10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.849 2.170 11.984 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.283 2.824 11.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.410 3.045 13.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.762 4.606 13.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.016 3.596 13.821 1.00 0.00 H new ATOM 265 N CYS A 21 -4.685 8.615 10.459 1.00 0.00 N ATOM 266 CA CYS A 21 -4.575 10.068 10.386 1.00 0.00 C ATOM 267 C CYS A 21 -5.910 10.696 10.003 1.00 0.00 C ATOM 268 O CYS A 21 -6.014 11.913 9.843 1.00 0.00 O ATOM 269 CB CYS A 21 -3.500 10.468 9.372 1.00 0.00 C ATOM 270 SG CYS A 21 -3.658 9.640 7.757 1.00 0.00 S ATOM 0 H CYS A 21 -4.645 8.143 9.555 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.291 10.436 11.372 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.541 11.547 9.221 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.519 10.242 9.790 1.00 0.00 H new ATOM 274 N HIS A 22 -6.933 9.859 9.857 1.00 0.00 N ATOM 275 CA HIS A 22 -8.263 10.333 9.494 1.00 0.00 C ATOM 276 C HIS A 22 -8.236 11.048 8.148 1.00 0.00 C ATOM 277 O HIS A 22 -9.079 11.903 7.870 1.00 0.00 O ATOM 278 CB HIS A 22 -8.806 11.270 10.573 1.00 0.00 C ATOM 279 CG HIS A 22 -7.941 11.344 11.794 1.00 0.00 C ATOM 280 ND1 HIS A 22 -7.494 12.534 12.328 1.00 0.00 N ATOM 281 CD2 HIS A 22 -7.441 10.367 12.585 1.00 0.00 C ATOM 282 CE1 HIS A 22 -6.755 12.285 13.394 1.00 0.00 C ATOM 283 NE2 HIS A 22 -6.708 10.977 13.573 1.00 0.00 N ATOM 0 H HIS A 22 -6.866 8.849 9.985 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.920 9.467 9.412 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.914 12.270 10.153 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.802 10.937 10.864 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.591 9.304 12.462 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.271 13.025 14.014 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.209 10.498 14.323 1.00 0.00 H new ATOM 290 N LEU A 23 -7.264 10.695 7.315 1.00 0.00 N ATOM 291 CA LEU A 23 -7.126 11.306 5.996 1.00 0.00 C ATOM 292 C LEU A 23 -8.272 10.887 5.080 1.00 0.00 C ATOM 293 O LEU A 23 -8.430 9.707 4.767 1.00 0.00 O ATOM 294 CB LEU A 23 -5.787 10.913 5.369 1.00 0.00 C ATOM 295 CG LEU A 23 -4.692 11.979 5.406 1.00 0.00 C ATOM 296 CD1 LEU A 23 -3.317 11.336 5.308 1.00 0.00 C ATOM 297 CD2 LEU A 23 -4.891 12.989 4.285 1.00 0.00 C ATOM 0 H LEU A 23 -6.559 9.989 7.528 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.160 12.389 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.417 10.023 5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.962 10.636 4.329 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.758 12.506 6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.550 12.110 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.174 10.653 6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.240 10.783 4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.102 13.740 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.853 12.477 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.860 13.474 4.400 1.00 0.00 H new ATOM 308 N VAL A 24 -9.067 11.862 4.653 1.00 0.00 N ATOM 309 CA VAL A 24 -10.197 11.595 3.770 1.00 0.00 C ATOM 310 C VAL A 24 -9.723 11.177 2.383 1.00 0.00 C ATOM 311 O VAL A 24 -9.135 11.973 1.649 1.00 0.00 O ATOM 312 CB VAL A 24 -11.109 12.829 3.639 1.00 0.00 C ATOM 313 CG1 VAL A 24 -12.023 12.691 2.430 1.00 0.00 C ATOM 314 CG2 VAL A 24 -11.920 13.029 4.910 1.00 0.00 C ATOM 0 H VAL A 24 -8.950 12.844 4.904 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.764 10.779 4.218 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.482 13.709 3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.660 13.572 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.420 12.599 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.644 11.803 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.559 13.905 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.538 12.149 5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.245 13.176 5.753 1.00 0.00 H new ATOM 324 N LEU A 25 -9.982 9.923 2.028 1.00 0.00 N ATOM 325 CA LEU A 25 -9.583 9.398 0.727 1.00 0.00 C ATOM 326 C LEU A 25 -10.794 8.902 -0.055 1.00 0.00 C ATOM 327 O LEU A 25 -11.880 8.732 0.502 1.00 0.00 O ATOM 328 CB LEU A 25 -8.574 8.262 0.902 1.00 0.00 C ATOM 329 CG LEU A 25 -8.185 7.925 2.342 1.00 0.00 C ATOM 330 CD1 LEU A 25 -7.846 6.449 2.472 1.00 0.00 C ATOM 331 CD2 LEU A 25 -7.013 8.785 2.792 1.00 0.00 C ATOM 0 H LEU A 25 -10.467 9.251 2.623 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.117 10.206 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.983 7.365 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.668 8.520 0.353 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.037 8.139 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.572 6.228 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.713 5.851 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.010 6.208 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.749 8.532 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.157 8.603 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.292 9.837 2.738 1.00 0.00 H new ATOM 342 N CYS A 26 -10.602 8.667 -1.348 1.00 0.00 N ATOM 343 CA CYS A 26 -11.678 8.188 -2.208 1.00 0.00 C ATOM 344 C CYS A 26 -11.417 6.754 -2.658 1.00 0.00 C ATOM 345 O CYS A 26 -12.279 6.114 -3.260 1.00 0.00 O ATOM 346 CB CYS A 26 -11.828 9.099 -3.428 1.00 0.00 C ATOM 347 SG CYS A 26 -13.399 8.888 -4.325 1.00 0.00 S ATOM 0 H CYS A 26 -9.710 8.801 -1.824 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.604 8.206 -1.634 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.743 10.137 -3.106 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.002 8.909 -4.114 1.00 0.00 H new ATOM 0 HG CYS A 26 -13.726 7.630 -4.337 1.00 0.00 H new ATOM 351 N SER A 27 -10.220 6.255 -2.361 1.00 0.00 N ATOM 352 CA SER A 27 -9.843 4.898 -2.739 1.00 0.00 C ATOM 353 C SER A 27 -8.828 4.323 -1.755 1.00 0.00 C ATOM 354 O SER A 27 -7.650 4.148 -2.070 1.00 0.00 O ATOM 355 CB SER A 27 -9.264 4.881 -4.155 1.00 0.00 C ATOM 356 OG SER A 27 -8.128 5.723 -4.251 1.00 0.00 O ATOM 0 H SER A 27 -9.496 6.770 -1.860 1.00 0.00 H new ATOM 0 HA SER A 27 -10.739 4.278 -2.714 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.989 3.862 -4.427 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.023 5.207 -4.866 1.00 0.00 H new ATOM 0 HG SER A 27 -7.573 5.616 -3.451 1.00 0.00 H new ATOM 361 N PRO A 28 -9.294 4.021 -0.534 1.00 0.00 N ATOM 362 CA PRO A 28 -8.444 3.462 0.521 1.00 0.00 C ATOM 363 C PRO A 28 -8.017 2.028 0.222 1.00 0.00 C ATOM 364 O PRO A 28 -8.122 1.561 -0.913 1.00 0.00 O ATOM 365 CB PRO A 28 -9.342 3.505 1.760 1.00 0.00 C ATOM 366 CG PRO A 28 -10.730 3.471 1.222 1.00 0.00 C ATOM 367 CD PRO A 28 -10.686 4.204 -0.090 1.00 0.00 C ATOM 0 HA PRO A 28 -7.513 4.019 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.151 2.657 2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.166 4.407 2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.069 2.444 1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.427 3.947 1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.395 3.789 -0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.935 5.258 0.030 1.00 0.00 H new ATOM 372 N LYS A 29 -7.537 1.333 1.247 1.00 0.00 N ATOM 373 CA LYS A 29 -7.097 -0.049 1.095 1.00 0.00 C ATOM 374 C LYS A 29 -7.827 -0.964 2.073 1.00 0.00 C ATOM 375 O LYS A 29 -7.202 -1.666 2.865 1.00 0.00 O ATOM 376 CB LYS A 29 -5.585 -0.151 1.319 1.00 0.00 C ATOM 377 CG LYS A 29 -4.809 1.039 0.782 1.00 0.00 C ATOM 378 CD LYS A 29 -5.123 1.295 -0.682 1.00 0.00 C ATOM 379 CE LYS A 29 -3.888 1.746 -1.447 1.00 0.00 C ATOM 380 NZ LYS A 29 -3.850 1.180 -2.824 1.00 0.00 N ATOM 0 H LYS A 29 -7.443 1.704 2.192 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.332 -0.369 0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.390 -0.249 2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.216 -1.059 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.051 1.926 1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.740 0.861 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.521 0.386 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.899 2.056 -0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.872 2.835 -1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.993 1.441 -0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.993 1.511 -3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.839 0.141 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.691 1.492 -3.351 1.00 0.00 H new ATOM 390 N GLN A 30 -9.155 -0.950 2.008 1.00 0.00 N ATOM 391 CA GLN A 30 -9.971 -1.780 2.887 1.00 0.00 C ATOM 392 C GLN A 30 -9.285 -3.112 3.169 1.00 0.00 C ATOM 393 O GLN A 30 -9.086 -3.925 2.266 1.00 0.00 O ATOM 394 CB GLN A 30 -11.346 -2.023 2.263 1.00 0.00 C ATOM 395 CG GLN A 30 -12.499 -1.815 3.230 1.00 0.00 C ATOM 396 CD GLN A 30 -13.853 -1.929 2.558 1.00 0.00 C ATOM 397 OE1 GLN A 30 -14.012 -1.570 1.391 1.00 0.00 O ATOM 398 NE2 GLN A 30 -14.839 -2.432 3.292 1.00 0.00 N ATOM 0 H GLN A 30 -9.688 -0.374 1.357 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.097 -1.250 3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -11.472 -1.355 1.411 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.386 -3.042 1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -12.433 -2.550 4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -12.408 -0.832 3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -14.663 -2.717 4.255 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.772 -2.533 2.892 1.00 0.00 H new ATOM 405 N THR A 31 -8.922 -3.330 4.430 1.00 0.00 N ATOM 406 CA THR A 31 -8.257 -4.563 4.832 1.00 0.00 C ATOM 407 C THR A 31 -9.215 -5.747 4.782 1.00 0.00 C ATOM 408 O THR A 31 -10.175 -5.748 4.012 1.00 0.00 O ATOM 409 CB THR A 31 -7.673 -4.449 6.252 1.00 0.00 C ATOM 410 OG1 THR A 31 -8.717 -4.579 7.224 1.00 0.00 O ATOM 411 CG2 THR A 31 -6.962 -3.117 6.440 1.00 0.00 C ATOM 0 H THR A 31 -9.078 -2.668 5.190 1.00 0.00 H new ATOM 0 HA THR A 31 -7.444 -4.728 4.125 1.00 0.00 H new ATOM 0 HB THR A 31 -6.949 -5.252 6.388 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.376 -4.322 8.106 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.558 -3.060 7.451 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.149 -3.034 5.719 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.669 -2.302 6.285 1.00 0.00 H new ATOM 419 N GLU A 32 -8.949 -6.753 5.609 1.00 0.00 N ATOM 420 CA GLU A 32 -9.791 -7.943 5.659 1.00 0.00 C ATOM 421 C GLU A 32 -10.723 -7.901 6.867 1.00 0.00 C ATOM 422 O GLU A 32 -11.331 -8.908 7.231 1.00 0.00 O ATOM 423 CB GLU A 32 -8.926 -9.204 5.711 1.00 0.00 C ATOM 424 CG GLU A 32 -9.322 -10.258 4.691 1.00 0.00 C ATOM 425 CD GLU A 32 -10.172 -11.360 5.291 1.00 0.00 C ATOM 426 OE1 GLU A 32 -11.300 -11.063 5.738 1.00 0.00 O ATOM 427 OE2 GLU A 32 -9.711 -12.520 5.315 1.00 0.00 O ATOM 0 H GLU A 32 -8.158 -6.768 6.253 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.399 -7.965 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.885 -8.927 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.988 -9.636 6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.871 -9.783 3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.422 -10.694 4.257 1.00 0.00 H new ATOM 432 N CYS A 33 -10.829 -6.729 7.484 1.00 0.00 N ATOM 433 CA CYS A 33 -11.684 -6.555 8.651 1.00 0.00 C ATOM 434 C CYS A 33 -12.796 -5.548 8.365 1.00 0.00 C ATOM 435 O CYS A 33 -13.888 -5.636 8.925 1.00 0.00 O ATOM 436 CB CYS A 33 -10.858 -6.090 9.851 1.00 0.00 C ATOM 437 SG CYS A 33 -10.306 -4.357 9.749 1.00 0.00 S ATOM 0 H CYS A 33 -10.333 -5.886 7.195 1.00 0.00 H new ATOM 0 HA CYS A 33 -12.139 -7.518 8.883 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -11.450 -6.219 10.757 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.983 -6.733 9.947 1.00 0.00 H new ATOM 441 N GLY A 34 -12.507 -4.590 7.489 1.00 0.00 N ATOM 442 CA GLY A 34 -13.491 -3.580 7.144 1.00 0.00 C ATOM 443 C GLY A 34 -12.912 -2.179 7.156 1.00 0.00 C ATOM 444 O GLY A 34 -13.104 -1.411 6.212 1.00 0.00 O ATOM 0 H GLY A 34 -11.610 -4.495 7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.896 -3.794 6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.323 -3.632 7.847 1.00 0.00 H new ATOM 448 N HIS A 35 -12.201 -1.843 8.228 1.00 0.00 N ATOM 449 CA HIS A 35 -11.593 -0.524 8.359 1.00 0.00 C ATOM 450 C HIS A 35 -10.824 -0.152 7.094 1.00 0.00 C ATOM 451 O HIS A 35 -10.750 -0.934 6.148 1.00 0.00 O ATOM 452 CB HIS A 35 -10.657 -0.488 9.568 1.00 0.00 C ATOM 453 CG HIS A 35 -11.366 -0.640 10.878 1.00 0.00 C ATOM 454 ND1 HIS A 35 -11.374 -1.816 11.598 1.00 0.00 N ATOM 455 CD2 HIS A 35 -12.091 0.247 11.600 1.00 0.00 C ATOM 456 CE1 HIS A 35 -12.075 -1.647 12.704 1.00 0.00 C ATOM 457 NE2 HIS A 35 -12.521 -0.405 12.730 1.00 0.00 N ATOM 0 H HIS A 35 -12.032 -2.466 9.018 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.391 0.204 8.505 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.918 -1.284 9.469 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.111 0.456 9.567 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.293 1.275 11.337 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.253 -2.398 13.460 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.092 0.004 13.469 1.00 0.00 H new ATOM 464 N ARG A 36 -10.254 1.050 7.086 1.00 0.00 N ATOM 465 CA ARG A 36 -9.493 1.526 5.937 1.00 0.00 C ATOM 466 C ARG A 36 -8.322 2.396 6.384 1.00 0.00 C ATOM 467 O ARG A 36 -8.323 2.934 7.491 1.00 0.00 O ATOM 468 CB ARG A 36 -10.399 2.317 4.991 1.00 0.00 C ATOM 469 CG ARG A 36 -11.396 1.453 4.237 1.00 0.00 C ATOM 470 CD ARG A 36 -12.670 2.219 3.919 1.00 0.00 C ATOM 471 NE ARG A 36 -13.844 1.351 3.910 1.00 0.00 N ATOM 472 CZ ARG A 36 -14.497 0.986 5.007 1.00 0.00 C ATOM 473 NH1 ARG A 36 -14.092 1.414 6.196 1.00 0.00 N ATOM 474 NH2 ARG A 36 -15.557 0.193 4.919 1.00 0.00 N ATOM 0 H ARG A 36 -10.305 1.711 7.862 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.098 0.658 5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.943 3.067 5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.779 2.853 4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.944 1.097 3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.639 0.573 4.832 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.810 3.010 4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.569 2.702 2.947 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.181 1.006 3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.278 2.024 6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.595 1.133 7.038 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.872 -0.138 4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.057 -0.086 5.763 1.00 0.00 H new ATOM 485 N PHE A 37 -7.327 2.529 5.515 1.00 0.00 N ATOM 486 CA PHE A 37 -6.148 3.333 5.820 1.00 0.00 C ATOM 487 C PHE A 37 -5.626 4.031 4.568 1.00 0.00 C ATOM 488 O PHE A 37 -6.075 3.752 3.455 1.00 0.00 O ATOM 489 CB PHE A 37 -5.049 2.456 6.424 1.00 0.00 C ATOM 490 CG PHE A 37 -5.292 2.095 7.861 1.00 0.00 C ATOM 491 CD1 PHE A 37 -6.036 0.974 8.192 1.00 0.00 C ATOM 492 CD2 PHE A 37 -4.775 2.877 8.883 1.00 0.00 C ATOM 493 CE1 PHE A 37 -6.262 0.641 9.515 1.00 0.00 C ATOM 494 CE2 PHE A 37 -4.998 2.548 10.207 1.00 0.00 C ATOM 495 CZ PHE A 37 -5.740 1.427 10.523 1.00 0.00 C ATOM 0 H PHE A 37 -7.312 2.091 4.594 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.436 4.094 6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.962 1.541 5.838 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.095 2.977 6.345 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.444 0.353 7.408 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.191 3.753 8.642 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.847 -0.234 9.760 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.592 3.167 10.994 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.912 1.166 11.557 1.00 0.00 H new ATOM 504 N CYS A 38 -4.677 4.942 4.757 1.00 0.00 N ATOM 505 CA CYS A 38 -4.094 5.682 3.645 1.00 0.00 C ATOM 506 C CYS A 38 -2.806 5.019 3.165 1.00 0.00 C ATOM 507 O CYS A 38 -2.256 4.150 3.841 1.00 0.00 O ATOM 508 CB CYS A 38 -3.813 7.128 4.059 1.00 0.00 C ATOM 509 SG CYS A 38 -2.464 7.305 5.271 1.00 0.00 S ATOM 0 H CYS A 38 -4.295 5.185 5.671 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.811 5.679 2.824 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.567 7.708 3.170 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.723 7.558 4.478 1.00 0.00 H new ATOM 513 N GLU A 39 -2.332 5.436 1.996 1.00 0.00 N ATOM 514 CA GLU A 39 -1.110 4.882 1.426 1.00 0.00 C ATOM 515 C GLU A 39 -0.023 4.757 2.489 1.00 0.00 C ATOM 516 O GLU A 39 0.433 3.656 2.800 1.00 0.00 O ATOM 517 CB GLU A 39 -0.615 5.759 0.274 1.00 0.00 C ATOM 518 CG GLU A 39 -1.090 5.294 -1.092 1.00 0.00 C ATOM 519 CD GLU A 39 -0.217 5.811 -2.220 1.00 0.00 C ATOM 520 OE1 GLU A 39 0.512 6.800 -2.000 1.00 0.00 O ATOM 521 OE2 GLU A 39 -0.264 5.225 -3.322 1.00 0.00 O ATOM 0 H GLU A 39 -2.775 6.156 1.425 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.336 3.887 1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.952 6.783 0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.475 5.776 0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.102 4.204 -1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.116 5.628 -1.249 1.00 0.00 H new ATOM 526 N SER A 40 0.389 5.893 3.043 1.00 0.00 N ATOM 527 CA SER A 40 1.426 5.912 4.069 1.00 0.00 C ATOM 528 C SER A 40 1.129 4.888 5.160 1.00 0.00 C ATOM 529 O SER A 40 1.631 3.764 5.126 1.00 0.00 O ATOM 530 CB SER A 40 1.541 7.309 4.681 1.00 0.00 C ATOM 531 OG SER A 40 2.705 7.974 4.222 1.00 0.00 O ATOM 0 H SER A 40 0.021 6.812 2.799 1.00 0.00 H new ATOM 0 HA SER A 40 2.374 5.650 3.599 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.659 7.895 4.424 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.567 7.232 5.768 1.00 0.00 H new ATOM 0 HG SER A 40 2.754 8.865 4.627 1.00 0.00 H new ATOM 536 N CYS A 41 0.311 5.285 6.128 1.00 0.00 N ATOM 537 CA CYS A 41 -0.054 4.404 7.232 1.00 0.00 C ATOM 538 C CYS A 41 -0.149 2.955 6.762 1.00 0.00 C ATOM 539 O CYS A 41 0.421 2.055 7.377 1.00 0.00 O ATOM 540 CB CYS A 41 -1.386 4.842 7.843 1.00 0.00 C ATOM 541 SG CYS A 41 -1.360 6.516 8.561 1.00 0.00 S ATOM 0 H CYS A 41 -0.113 6.212 6.171 1.00 0.00 H new ATOM 0 HA CYS A 41 0.725 4.471 7.991 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.157 4.800 7.074 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.669 4.130 8.618 1.00 0.00 H new ATOM 545 N MET A 42 -0.872 2.740 5.669 1.00 0.00 N ATOM 546 CA MET A 42 -1.041 1.401 5.115 1.00 0.00 C ATOM 547 C MET A 42 0.308 0.713 4.937 1.00 0.00 C ATOM 548 O MET A 42 0.538 -0.372 5.472 1.00 0.00 O ATOM 549 CB MET A 42 -1.774 1.468 3.774 1.00 0.00 C ATOM 550 CG MET A 42 -1.722 0.168 2.988 1.00 0.00 C ATOM 551 SD MET A 42 -2.554 -1.190 3.834 1.00 0.00 S ATOM 552 CE MET A 42 -3.892 -0.315 4.643 1.00 0.00 C ATOM 0 H MET A 42 -1.351 3.475 5.149 1.00 0.00 H new ATOM 0 HA MET A 42 -1.637 0.817 5.817 1.00 0.00 H new ATOM 0 HB2 MET A 42 -2.816 1.734 3.952 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.339 2.265 3.171 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.183 0.320 2.012 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.681 -0.103 2.810 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.690 -1.016 4.887 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.523 0.148 5.558 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.278 0.456 3.976 1.00 0.00 H new ATOM 560 N ALA A 43 1.198 1.350 4.183 1.00 0.00 N ATOM 561 CA ALA A 43 2.524 0.799 3.936 1.00 0.00 C ATOM 562 C ALA A 43 3.279 0.577 5.242 1.00 0.00 C ATOM 563 O ALA A 43 4.074 -0.354 5.360 1.00 0.00 O ATOM 564 CB ALA A 43 3.315 1.720 3.018 1.00 0.00 C ATOM 0 H ALA A 43 1.024 2.249 3.733 1.00 0.00 H new ATOM 0 HA ALA A 43 2.403 -0.168 3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.304 1.296 2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.791 1.825 2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.418 2.699 3.486 1.00 0.00 H new ATOM 570 N ALA A 44 3.021 1.437 6.223 1.00 0.00 N ATOM 571 CA ALA A 44 3.675 1.334 7.521 1.00 0.00 C ATOM 572 C ALA A 44 3.291 0.038 8.228 1.00 0.00 C ATOM 573 O ALA A 44 4.155 -0.733 8.646 1.00 0.00 O ATOM 574 CB ALA A 44 3.323 2.534 8.387 1.00 0.00 C ATOM 0 H ALA A 44 2.363 2.213 6.143 1.00 0.00 H new ATOM 0 HA ALA A 44 4.753 1.322 7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.819 2.443 9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.654 3.448 7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.244 2.572 8.535 1.00 0.00 H new ATOM 580 N LEU A 45 1.989 -0.195 8.358 1.00 0.00 N ATOM 581 CA LEU A 45 1.489 -1.397 9.014 1.00 0.00 C ATOM 582 C LEU A 45 1.984 -2.653 8.302 1.00 0.00 C ATOM 583 O LEU A 45 2.445 -3.601 8.940 1.00 0.00 O ATOM 584 CB LEU A 45 -0.040 -1.386 9.048 1.00 0.00 C ATOM 585 CG LEU A 45 -0.688 -0.157 9.685 1.00 0.00 C ATOM 586 CD1 LEU A 45 -2.194 -0.179 9.479 1.00 0.00 C ATOM 587 CD2 LEU A 45 -0.352 -0.085 11.168 1.00 0.00 C ATOM 0 H LEU A 45 1.261 0.433 8.017 1.00 0.00 H new ATOM 0 HA LEU A 45 1.869 -1.407 10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.407 -1.477 8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.378 -2.271 9.587 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.289 0.733 9.198 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.637 0.704 9.940 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.415 -0.181 8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.611 -1.075 9.938 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.822 0.796 11.605 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.722 -0.980 11.669 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.729 -0.020 11.293 1.00 0.00 H new ATOM 598 N LEU A 46 1.888 -2.652 6.977 1.00 0.00 N ATOM 599 CA LEU A 46 2.327 -3.789 6.177 1.00 0.00 C ATOM 600 C LEU A 46 3.767 -4.165 6.510 1.00 0.00 C ATOM 601 O LEU A 46 4.148 -5.333 6.436 1.00 0.00 O ATOM 602 CB LEU A 46 2.203 -3.468 4.687 1.00 0.00 C ATOM 603 CG LEU A 46 0.784 -3.240 4.165 1.00 0.00 C ATOM 604 CD1 LEU A 46 0.812 -2.846 2.696 1.00 0.00 C ATOM 605 CD2 LEU A 46 -0.066 -4.485 4.369 1.00 0.00 C ATOM 0 H LEU A 46 1.510 -1.876 6.434 1.00 0.00 H new ATOM 0 HA LEU A 46 1.685 -4.638 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.793 -2.576 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.650 -4.286 4.121 1.00 0.00 H new ATOM 0 HG LEU A 46 0.337 -2.423 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.207 -2.688 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.384 -1.926 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.279 -3.641 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.072 -4.304 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.379 -5.322 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.114 -4.723 5.432 1.00 0.00 H new ATOM 616 N SER A 47 4.564 -3.166 6.880 1.00 0.00 N ATOM 617 CA SER A 47 5.963 -3.392 7.223 1.00 0.00 C ATOM 618 C SER A 47 6.124 -3.624 8.722 1.00 0.00 C ATOM 619 O SER A 47 7.163 -3.306 9.302 1.00 0.00 O ATOM 620 CB SER A 47 6.815 -2.198 6.786 1.00 0.00 C ATOM 621 OG SER A 47 7.929 -2.622 6.017 1.00 0.00 O ATOM 0 H SER A 47 4.264 -2.194 6.950 1.00 0.00 H new ATOM 0 HA SER A 47 6.302 -4.284 6.697 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.207 -1.507 6.202 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.161 -1.653 7.664 1.00 0.00 H new ATOM 0 HG SER A 47 8.457 -1.841 5.748 1.00 0.00 H new ATOM 626 N SER A 48 5.089 -4.180 9.343 1.00 0.00 N ATOM 627 CA SER A 48 5.112 -4.451 10.775 1.00 0.00 C ATOM 628 C SER A 48 5.247 -5.947 11.043 1.00 0.00 C ATOM 629 O SER A 48 4.753 -6.457 12.048 1.00 0.00 O ATOM 630 CB SER A 48 3.841 -3.916 11.438 1.00 0.00 C ATOM 631 OG SER A 48 3.905 -4.055 12.847 1.00 0.00 O ATOM 0 H SER A 48 4.224 -4.452 8.876 1.00 0.00 H new ATOM 0 HA SER A 48 5.977 -3.943 11.201 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.706 -2.866 11.179 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.973 -4.453 11.055 1.00 0.00 H new ATOM 0 HG SER A 48 4.086 -4.991 13.076 1.00 0.00 H new ATOM 636 N SER A 49 5.920 -6.646 10.133 1.00 0.00 N ATOM 637 CA SER A 49 6.118 -8.084 10.267 1.00 0.00 C ATOM 638 C SER A 49 4.867 -8.755 10.825 1.00 0.00 C ATOM 639 O SER A 49 4.942 -9.812 11.452 1.00 0.00 O ATOM 640 CB SER A 49 7.314 -8.373 11.176 1.00 0.00 C ATOM 641 OG SER A 49 8.537 -8.142 10.499 1.00 0.00 O ATOM 0 H SER A 49 6.337 -6.239 9.296 1.00 0.00 H new ATOM 0 HA SER A 49 6.317 -8.492 9.276 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.261 -7.742 12.063 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.274 -9.407 11.518 1.00 0.00 H new ATOM 0 HG SER A 49 9.286 -8.332 11.102 1.00 0.00 H new ATOM 646 N SER A 50 3.715 -8.132 10.593 1.00 0.00 N ATOM 647 CA SER A 50 2.447 -8.666 11.075 1.00 0.00 C ATOM 648 C SER A 50 1.374 -7.582 11.096 1.00 0.00 C ATOM 649 O SER A 50 0.871 -7.191 12.150 1.00 0.00 O ATOM 650 CB SER A 50 2.617 -9.257 12.475 1.00 0.00 C ATOM 651 OG SER A 50 3.671 -8.619 13.174 1.00 0.00 O ATOM 0 H SER A 50 3.634 -7.257 10.074 1.00 0.00 H new ATOM 0 HA SER A 50 2.130 -9.454 10.392 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.688 -9.148 13.034 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.821 -10.325 12.400 1.00 0.00 H new ATOM 0 HG SER A 50 4.493 -9.144 13.076 1.00 0.00 H new ATOM 656 N PRO A 51 1.016 -7.081 9.904 1.00 0.00 N ATOM 657 CA PRO A 51 0.000 -6.035 9.758 1.00 0.00 C ATOM 658 C PRO A 51 -1.403 -6.540 10.077 1.00 0.00 C ATOM 659 O PRO A 51 -1.887 -7.492 9.464 1.00 0.00 O ATOM 660 CB PRO A 51 0.103 -5.643 8.282 1.00 0.00 C ATOM 661 CG PRO A 51 0.657 -6.850 7.607 1.00 0.00 C ATOM 662 CD PRO A 51 1.574 -7.499 8.608 1.00 0.00 C ATOM 0 HA PRO A 51 0.168 -5.207 10.446 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.872 -5.374 7.875 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.754 -4.780 8.146 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.140 -7.531 7.309 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.198 -6.577 6.701 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.579 -8.584 8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.604 -7.163 8.487 1.00 0.00 H new ATOM 667 N LYS A 52 -2.053 -5.898 11.043 1.00 0.00 N ATOM 668 CA LYS A 52 -3.402 -6.280 11.442 1.00 0.00 C ATOM 669 C LYS A 52 -4.407 -5.192 11.079 1.00 0.00 C ATOM 670 O LYS A 52 -5.224 -5.365 10.174 1.00 0.00 O ATOM 671 CB LYS A 52 -3.451 -6.552 12.948 1.00 0.00 C ATOM 672 CG LYS A 52 -2.218 -7.261 13.479 1.00 0.00 C ATOM 673 CD LYS A 52 -1.978 -6.944 14.946 1.00 0.00 C ATOM 674 CE LYS A 52 -0.503 -7.028 15.301 1.00 0.00 C ATOM 675 NZ LYS A 52 -0.294 -7.472 16.707 1.00 0.00 N ATOM 0 H LYS A 52 -1.667 -5.111 11.564 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.669 -7.190 10.904 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.571 -5.606 13.476 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.331 -7.155 13.171 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.334 -8.337 13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.347 -6.964 12.895 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.350 -5.944 15.169 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.543 -7.640 15.567 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.006 -7.722 14.624 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.039 -6.053 15.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.725 -7.516 16.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.747 -6.796 17.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.715 -8.414 16.840 1.00 0.00 H new ATOM 685 N CYS A 53 -4.340 -4.071 11.788 1.00 0.00 N ATOM 686 CA CYS A 53 -5.244 -2.954 11.540 1.00 0.00 C ATOM 687 C CYS A 53 -5.345 -2.052 12.767 1.00 0.00 C ATOM 688 O CYS A 53 -6.133 -2.310 13.678 1.00 0.00 O ATOM 689 CB CYS A 53 -6.631 -3.469 11.156 1.00 0.00 C ATOM 690 SG CYS A 53 -7.975 -2.275 11.451 1.00 0.00 S ATOM 0 H CYS A 53 -3.669 -3.911 12.539 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.840 -2.369 10.714 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.626 -3.741 10.101 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.838 -4.379 11.719 1.00 0.00 H new ATOM 694 N THR A 54 -4.542 -0.993 12.784 1.00 0.00 N ATOM 695 CA THR A 54 -4.540 -0.053 13.899 1.00 0.00 C ATOM 696 C THR A 54 -5.928 0.068 14.518 1.00 0.00 C ATOM 697 O THR A 54 -6.066 0.190 15.735 1.00 0.00 O ATOM 698 CB THR A 54 -4.063 1.342 13.456 1.00 0.00 C ATOM 699 OG1 THR A 54 -2.781 1.627 14.027 1.00 0.00 O ATOM 700 CG2 THR A 54 -5.059 2.413 13.876 1.00 0.00 C ATOM 0 H THR A 54 -3.885 -0.764 12.038 1.00 0.00 H new ATOM 0 HA THR A 54 -3.847 -0.446 14.643 1.00 0.00 H new ATOM 0 HB THR A 54 -3.985 1.346 12.369 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.876 2.316 14.717 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.701 3.390 13.552 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.026 2.211 13.416 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.164 2.406 14.961 1.00 0.00 H new ATOM 708 N ALA A 55 -6.952 0.034 13.673 1.00 0.00 N ATOM 709 CA ALA A 55 -8.329 0.137 14.138 1.00 0.00 C ATOM 710 C ALA A 55 -8.630 -0.913 15.202 1.00 0.00 C ATOM 711 O ALA A 55 -8.711 -0.603 16.390 1.00 0.00 O ATOM 712 CB ALA A 55 -9.294 -0.002 12.969 1.00 0.00 C ATOM 0 H ALA A 55 -6.854 -0.064 12.662 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.461 1.121 14.588 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.319 0.077 13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.104 0.789 12.244 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.151 -0.972 12.493 1.00 0.00 H new ATOM 718 N CYS A 56 -8.796 -2.158 14.767 1.00 0.00 N ATOM 719 CA CYS A 56 -9.090 -3.255 15.681 1.00 0.00 C ATOM 720 C CYS A 56 -7.945 -4.264 15.705 1.00 0.00 C ATOM 721 O CYS A 56 -7.767 -4.990 16.682 1.00 0.00 O ATOM 722 CB CYS A 56 -10.390 -3.951 15.275 1.00 0.00 C ATOM 723 SG CYS A 56 -10.386 -4.600 13.572 1.00 0.00 S ATOM 0 H CYS A 56 -8.732 -2.432 13.787 1.00 0.00 H new ATOM 0 HA CYS A 56 -9.206 -2.840 16.682 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -10.580 -4.773 15.965 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -11.215 -3.247 15.382 1.00 0.00 H new ATOM 727 N GLN A 57 -7.174 -4.301 14.624 1.00 0.00 N ATOM 728 CA GLN A 57 -6.047 -5.221 14.521 1.00 0.00 C ATOM 729 C GLN A 57 -6.509 -6.596 14.050 1.00 0.00 C ATOM 730 O GLN A 57 -6.874 -7.448 14.859 1.00 0.00 O ATOM 731 CB GLN A 57 -5.336 -5.342 15.869 1.00 0.00 C ATOM 732 CG GLN A 57 -5.265 -4.034 16.639 1.00 0.00 C ATOM 733 CD GLN A 57 -3.867 -3.721 17.133 1.00 0.00 C ATOM 734 OE1 GLN A 57 -3.500 -4.069 18.257 1.00 0.00 O ATOM 735 NE2 GLN A 57 -3.077 -3.062 16.294 1.00 0.00 N ATOM 0 H GLN A 57 -7.308 -3.705 13.807 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.349 -4.821 13.785 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.852 -6.084 16.477 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.324 -5.713 15.705 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.610 -3.222 16.000 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.945 -4.081 17.490 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.423 -2.794 15.373 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.124 -2.824 16.571 1.00 0.00 H new ATOM 742 N GLU A 58 -6.490 -6.805 12.737 1.00 0.00 N ATOM 743 CA GLU A 58 -6.907 -8.077 12.161 1.00 0.00 C ATOM 744 C GLU A 58 -5.871 -8.591 11.166 1.00 0.00 C ATOM 745 O GLU A 58 -5.093 -9.493 11.474 1.00 0.00 O ATOM 746 CB GLU A 58 -8.264 -7.928 11.468 1.00 0.00 C ATOM 747 CG GLU A 58 -8.484 -8.920 10.339 1.00 0.00 C ATOM 748 CD GLU A 58 -7.929 -10.295 10.655 1.00 0.00 C ATOM 749 OE1 GLU A 58 -7.978 -10.698 11.836 1.00 0.00 O ATOM 750 OE2 GLU A 58 -7.445 -10.969 9.722 1.00 0.00 O ATOM 0 H GLU A 58 -6.190 -6.110 12.053 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.997 -8.800 12.971 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.055 -8.051 12.207 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.351 -6.916 11.073 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.552 -9.001 10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.013 -8.542 9.431 1.00 0.00 H new ATOM 755 N SER A 59 -5.867 -8.008 9.971 1.00 0.00 N ATOM 756 CA SER A 59 -4.929 -8.408 8.928 1.00 0.00 C ATOM 757 C SER A 59 -4.964 -7.428 7.760 1.00 0.00 C ATOM 758 O SER A 59 -6.035 -7.023 7.307 1.00 0.00 O ATOM 759 CB SER A 59 -5.255 -9.820 8.433 1.00 0.00 C ATOM 760 OG SER A 59 -6.473 -9.838 7.710 1.00 0.00 O ATOM 0 H SER A 59 -6.503 -7.257 9.701 1.00 0.00 H new ATOM 0 HA SER A 59 -3.926 -8.402 9.355 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.446 -10.182 7.798 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.322 -10.500 9.282 1.00 0.00 H new ATOM 0 HG SER A 59 -7.149 -10.332 8.219 1.00 0.00 H new ATOM 765 N ILE A 60 -3.785 -7.050 7.277 1.00 0.00 N ATOM 766 CA ILE A 60 -3.680 -6.118 6.161 1.00 0.00 C ATOM 767 C ILE A 60 -2.653 -6.597 5.141 1.00 0.00 C ATOM 768 O ILE A 60 -1.447 -6.460 5.344 1.00 0.00 O ATOM 769 CB ILE A 60 -3.290 -4.708 6.642 1.00 0.00 C ATOM 770 CG1 ILE A 60 -3.634 -4.536 8.123 1.00 0.00 C ATOM 771 CG2 ILE A 60 -3.994 -3.650 5.804 1.00 0.00 C ATOM 772 CD1 ILE A 60 -3.053 -3.281 8.736 1.00 0.00 C ATOM 0 H ILE A 60 -2.889 -7.375 7.641 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.663 -6.074 5.691 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.214 -4.584 6.522 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.718 -4.518 8.236 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.270 -5.402 8.675 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.709 -2.658 6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.705 -3.762 4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.073 -3.771 5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.337 -3.224 9.787 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.966 -3.306 8.655 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.436 -2.407 8.209 1.00 0.00 H new ATOM 783 N VAL A 61 -3.140 -7.158 4.039 1.00 0.00 N ATOM 784 CA VAL A 61 -2.267 -7.655 2.983 1.00 0.00 C ATOM 785 C VAL A 61 -2.579 -6.984 1.649 1.00 0.00 C ATOM 786 O VAL A 61 -3.708 -7.046 1.161 1.00 0.00 O ATOM 787 CB VAL A 61 -2.394 -9.182 2.820 1.00 0.00 C ATOM 788 CG1 VAL A 61 -1.623 -9.654 1.597 1.00 0.00 C ATOM 789 CG2 VAL A 61 -1.909 -9.893 4.075 1.00 0.00 C ATOM 0 H VAL A 61 -4.136 -7.280 3.854 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.246 -7.413 3.278 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.445 -9.429 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.724 -10.735 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.022 -9.169 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.570 -9.397 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.006 -10.971 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.864 -9.642 4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.510 -9.577 4.928 1.00 0.00 H new ATOM 799 N LYS A 62 -1.572 -6.346 1.064 1.00 0.00 N ATOM 800 CA LYS A 62 -1.737 -5.665 -0.215 1.00 0.00 C ATOM 801 C LYS A 62 -2.552 -6.516 -1.183 1.00 0.00 C ATOM 802 O LYS A 62 -3.413 -6.006 -1.900 1.00 0.00 O ATOM 803 CB LYS A 62 -0.371 -5.345 -0.825 1.00 0.00 C ATOM 804 CG LYS A 62 0.621 -6.490 -0.731 1.00 0.00 C ATOM 805 CD LYS A 62 2.045 -5.983 -0.573 1.00 0.00 C ATOM 806 CE LYS A 62 2.663 -5.631 -1.918 1.00 0.00 C ATOM 807 NZ LYS A 62 3.077 -4.202 -1.980 1.00 0.00 N ATOM 0 H LYS A 62 -0.632 -6.286 1.455 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.275 -4.734 -0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.505 -5.076 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.046 -4.472 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.364 -7.126 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.551 -7.108 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.050 -5.105 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.651 -6.744 -0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.529 -6.268 -2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.945 -5.836 -2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.493 -4.001 -2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.247 -3.593 -1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.781 -4.012 -1.238 1.00 0.00 H new ATOM 817 N ASP A 63 -2.275 -7.816 -1.198 1.00 0.00 N ATOM 818 CA ASP A 63 -2.985 -8.738 -2.077 1.00 0.00 C ATOM 819 C ASP A 63 -4.456 -8.837 -1.688 1.00 0.00 C ATOM 820 O ASP A 63 -5.336 -8.886 -2.548 1.00 0.00 O ATOM 821 CB ASP A 63 -2.337 -10.123 -2.028 1.00 0.00 C ATOM 822 CG ASP A 63 -3.150 -11.114 -1.220 1.00 0.00 C ATOM 823 OD1 ASP A 63 -4.275 -11.447 -1.647 1.00 0.00 O ATOM 824 OD2 ASP A 63 -2.661 -11.559 -0.161 1.00 0.00 O ATOM 0 H ASP A 63 -1.565 -8.254 -0.612 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.923 -8.352 -3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.215 -10.500 -3.043 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.339 -10.039 -1.597 1.00 0.00 H new ATOM 828 N LYS A 64 -4.717 -8.868 -0.385 1.00 0.00 N ATOM 829 CA LYS A 64 -6.081 -8.962 0.121 1.00 0.00 C ATOM 830 C LYS A 64 -6.708 -7.578 0.253 1.00 0.00 C ATOM 831 O LYS A 64 -7.907 -7.449 0.500 1.00 0.00 O ATOM 832 CB LYS A 64 -6.097 -9.673 1.475 1.00 0.00 C ATOM 833 CG LYS A 64 -5.314 -10.975 1.489 1.00 0.00 C ATOM 834 CD LYS A 64 -6.230 -12.179 1.348 1.00 0.00 C ATOM 835 CE LYS A 64 -5.473 -13.482 1.555 1.00 0.00 C ATOM 836 NZ LYS A 64 -6.081 -14.605 0.790 1.00 0.00 N ATOM 0 H LYS A 64 -4.001 -8.829 0.340 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.668 -9.541 -0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.687 -9.004 2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.130 -9.877 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.588 -10.972 0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.751 -11.052 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.040 -12.108 2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.687 -12.176 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.436 -13.352 1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.461 -13.730 2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.536 -15.475 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.063 -14.746 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.069 -14.380 -0.225 1.00 0.00 H new ATOM 846 N VAL A 65 -5.890 -6.544 0.087 1.00 0.00 N ATOM 847 CA VAL A 65 -6.365 -5.169 0.186 1.00 0.00 C ATOM 848 C VAL A 65 -6.955 -4.695 -1.138 1.00 0.00 C ATOM 849 O VAL A 65 -6.478 -5.066 -2.210 1.00 0.00 O ATOM 850 CB VAL A 65 -5.231 -4.213 0.602 1.00 0.00 C ATOM 851 CG1 VAL A 65 -5.079 -3.091 -0.414 1.00 0.00 C ATOM 852 CG2 VAL A 65 -5.492 -3.652 1.993 1.00 0.00 C ATOM 0 H VAL A 65 -4.894 -6.632 -0.117 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.141 -5.156 0.951 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.297 -4.774 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.273 -2.426 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.844 -3.514 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.010 -2.528 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.682 -2.979 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.435 -3.105 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.547 -4.470 2.711 1.00 0.00 H new ATOM 862 N PHE A 66 -7.995 -3.873 -1.054 1.00 0.00 N ATOM 863 CA PHE A 66 -8.652 -3.347 -2.245 1.00 0.00 C ATOM 864 C PHE A 66 -9.333 -2.015 -1.948 1.00 0.00 C ATOM 865 O PHE A 66 -10.201 -1.598 -2.713 1.00 0.00 O ATOM 866 CB PHE A 66 -9.678 -4.352 -2.772 1.00 0.00 C ATOM 867 CG PHE A 66 -10.158 -5.321 -1.731 1.00 0.00 C ATOM 868 CD1 PHE A 66 -10.395 -4.901 -0.432 1.00 0.00 C ATOM 869 CD2 PHE A 66 -10.373 -6.652 -2.051 1.00 0.00 C ATOM 870 CE1 PHE A 66 -10.835 -5.792 0.529 1.00 0.00 C ATOM 871 CE2 PHE A 66 -10.814 -7.547 -1.094 1.00 0.00 C ATOM 872 CZ PHE A 66 -11.046 -7.116 0.197 1.00 0.00 C ATOM 0 H PHE A 66 -8.401 -3.556 -0.174 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.890 -3.182 -3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.534 -3.809 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.238 -4.909 -3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -10.234 -3.866 -0.167 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.194 -6.994 -3.060 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -11.014 -5.453 1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -10.977 -8.582 -1.356 1.00 0.00 H new ATOM 0 HZ PHE A 66 -11.392 -7.813 0.946 1.00 0.00 H new TER 881 PHE A 66 HETATM 882 ZN ZN A 201 -3.199 7.516 7.493 1.00 0.00 ZN HETATM 883 ZN ZN A 401 -10.050 -3.310 11.839 1.00 0.00 ZN