USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 671 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot 180:sc= -0.88 USER MOD Set 1.2: A 16 GLN : amide:sc= -0.515 K(o=-3,f=-10!) USER MOD Set 1.3: A 60 CYS SG : rot 180:sc= -1.57 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 91:sc= 0.105 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0223 K(o=-0.022,f=-1.1) USER MOD Single : A 26 SER OG : rot 31:sc= 0.94 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc=-0.00397 (180deg=-0.111) USER MOD Single : A 29 SER OG : rot 170:sc= -0.727 USER MOD Single : A 32 MET CE :methyl -127:sc= -0.346 (180deg=-1.08) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.72! C(o=-1.7!,f=-13!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-2.6!) USER MOD Single : A 59 LYS NZ :NH3+ -121:sc= -0.0767 (180deg=-0.544) USER MOD Single : A 65 SER OG : rot -57:sc= 0.982 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.9!) USER MOD Single : A 77 THR OG1 : rot 88:sc= 0.00808 USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= -0.042 (180deg=-0.212) USER MOD Single : A 82 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.012) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc=0.000908 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0218 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.731 -21.502 6.942 1.00 0.00 N ATOM 2 CA GLY A 1 -19.962 -21.362 6.187 1.00 0.00 C ATOM 3 C GLY A 1 -19.968 -22.202 4.926 1.00 0.00 C ATOM 4 O GLY A 1 -19.906 -21.671 3.817 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.777 -20.908 7.794 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.605 -22.496 7.219 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.927 -21.202 6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.805 -21.650 6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.105 -20.314 5.922 1.00 0.00 H new ATOM 8 N SER A 2 -20.040 -23.519 5.094 1.00 0.00 N ATOM 9 CA SER A 2 -20.047 -24.436 3.960 1.00 0.00 C ATOM 10 C SER A 2 -21.325 -24.276 3.141 1.00 0.00 C ATOM 11 O SER A 2 -21.277 -24.104 1.924 1.00 0.00 O ATOM 12 CB SER A 2 -19.916 -25.881 4.445 1.00 0.00 C ATOM 13 OG SER A 2 -18.588 -26.163 4.851 1.00 0.00 O ATOM 0 H SER A 2 -20.094 -23.975 6.005 1.00 0.00 H new ATOM 0 HA SER A 2 -19.195 -24.195 3.324 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.598 -26.052 5.278 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.209 -26.564 3.647 1.00 0.00 H new ATOM 0 HG SER A 2 -18.530 -27.092 5.158 1.00 0.00 H new ATOM 19 N SER A 3 -22.466 -24.335 3.820 1.00 0.00 N ATOM 20 CA SER A 3 -23.758 -24.201 3.156 1.00 0.00 C ATOM 21 C SER A 3 -23.906 -22.818 2.529 1.00 0.00 C ATOM 22 O SER A 3 -24.293 -22.688 1.369 1.00 0.00 O ATOM 23 CB SER A 3 -24.894 -24.447 4.151 1.00 0.00 C ATOM 24 OG SER A 3 -26.151 -24.132 3.577 1.00 0.00 O ATOM 0 H SER A 3 -22.522 -24.475 4.829 1.00 0.00 H new ATOM 0 HA SER A 3 -23.811 -24.947 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.886 -25.490 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.737 -23.843 5.044 1.00 0.00 H new ATOM 0 HG SER A 3 -26.861 -24.299 4.232 1.00 0.00 H new ATOM 30 N GLY A 4 -23.594 -21.786 3.307 1.00 0.00 N ATOM 31 CA GLY A 4 -23.698 -20.426 2.813 1.00 0.00 C ATOM 32 C GLY A 4 -24.752 -19.621 3.547 1.00 0.00 C ATOM 33 O GLY A 4 -25.886 -20.071 3.709 1.00 0.00 O ATOM 0 H GLY A 4 -23.271 -21.868 4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.732 -19.931 2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.936 -20.446 1.750 1.00 0.00 H new ATOM 37 N SER A 5 -24.377 -18.427 3.995 1.00 0.00 N ATOM 38 CA SER A 5 -25.296 -17.559 4.722 1.00 0.00 C ATOM 39 C SER A 5 -26.033 -16.626 3.766 1.00 0.00 C ATOM 40 O SER A 5 -25.718 -16.562 2.577 1.00 0.00 O ATOM 41 CB SER A 5 -24.538 -16.740 5.768 1.00 0.00 C ATOM 42 OG SER A 5 -25.390 -16.365 6.837 1.00 0.00 O ATOM 0 H SER A 5 -23.443 -18.039 3.867 1.00 0.00 H new ATOM 0 HA SER A 5 -26.029 -18.189 5.226 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.701 -17.322 6.153 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.119 -15.848 5.302 1.00 0.00 H new ATOM 0 HG SER A 5 -24.882 -15.844 7.493 1.00 0.00 H new ATOM 48 N SER A 6 -27.017 -15.905 4.293 1.00 0.00 N ATOM 49 CA SER A 6 -27.802 -14.978 3.487 1.00 0.00 C ATOM 50 C SER A 6 -27.149 -13.600 3.453 1.00 0.00 C ATOM 51 O SER A 6 -26.541 -13.164 4.429 1.00 0.00 O ATOM 52 CB SER A 6 -29.224 -14.867 4.040 1.00 0.00 C ATOM 53 OG SER A 6 -29.227 -14.262 5.322 1.00 0.00 O ATOM 0 H SER A 6 -27.290 -15.945 5.275 1.00 0.00 H new ATOM 0 HA SER A 6 -27.844 -15.366 2.469 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.839 -14.281 3.357 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.672 -15.859 4.101 1.00 0.00 H new ATOM 0 HG SER A 6 -30.147 -14.201 5.653 1.00 0.00 H new ATOM 59 N GLY A 7 -27.280 -12.918 2.319 1.00 0.00 N ATOM 60 CA GLY A 7 -26.697 -11.596 2.177 1.00 0.00 C ATOM 61 C GLY A 7 -27.168 -10.887 0.922 1.00 0.00 C ATOM 62 O GLY A 7 -28.159 -11.286 0.310 1.00 0.00 O ATOM 0 H GLY A 7 -27.779 -13.257 1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.953 -10.994 3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.611 -11.682 2.156 1.00 0.00 H new ATOM 66 N SER A 8 -26.457 -9.832 0.538 1.00 0.00 N ATOM 67 CA SER A 8 -26.810 -9.062 -0.648 1.00 0.00 C ATOM 68 C SER A 8 -26.214 -9.693 -1.903 1.00 0.00 C ATOM 69 O SER A 8 -25.041 -10.064 -1.927 1.00 0.00 O ATOM 70 CB SER A 8 -26.324 -7.618 -0.510 1.00 0.00 C ATOM 71 OG SER A 8 -27.132 -6.733 -1.265 1.00 0.00 O ATOM 0 H SER A 8 -25.632 -9.491 1.032 1.00 0.00 H new ATOM 0 HA SER A 8 -27.896 -9.064 -0.741 1.00 0.00 H new ATOM 0 HB2 SER A 8 -26.340 -7.324 0.540 1.00 0.00 H new ATOM 0 HB3 SER A 8 -25.289 -7.546 -0.845 1.00 0.00 H new ATOM 0 HG SER A 8 -26.801 -5.817 -1.158 1.00 0.00 H new ATOM 77 N SER A 9 -27.032 -9.812 -2.944 1.00 0.00 N ATOM 78 CA SER A 9 -26.588 -10.401 -4.201 1.00 0.00 C ATOM 79 C SER A 9 -25.849 -9.373 -5.053 1.00 0.00 C ATOM 80 O SER A 9 -26.335 -8.263 -5.265 1.00 0.00 O ATOM 81 CB SER A 9 -27.783 -10.959 -4.978 1.00 0.00 C ATOM 82 OG SER A 9 -27.416 -11.299 -6.304 1.00 0.00 O ATOM 0 H SER A 9 -28.006 -9.508 -2.941 1.00 0.00 H new ATOM 0 HA SER A 9 -25.902 -11.215 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 9 -28.173 -11.840 -4.468 1.00 0.00 H new ATOM 0 HB3 SER A 9 -28.585 -10.221 -4.997 1.00 0.00 H new ATOM 0 HG SER A 9 -28.196 -11.654 -6.779 1.00 0.00 H new ATOM 88 N ALA A 10 -24.672 -9.752 -5.538 1.00 0.00 N ATOM 89 CA ALA A 10 -23.866 -8.865 -6.368 1.00 0.00 C ATOM 90 C ALA A 10 -23.460 -7.613 -5.599 1.00 0.00 C ATOM 91 O ALA A 10 -23.481 -6.507 -6.139 1.00 0.00 O ATOM 92 CB ALA A 10 -24.627 -8.488 -7.630 1.00 0.00 C ATOM 0 H ALA A 10 -24.255 -10.668 -5.371 1.00 0.00 H new ATOM 0 HA ALA A 10 -22.957 -9.397 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -24.014 -7.825 -8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -24.862 -9.389 -8.196 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.552 -7.979 -7.359 1.00 0.00 H new ATOM 98 N SER A 11 -23.090 -7.794 -4.335 1.00 0.00 N ATOM 99 CA SER A 11 -22.683 -6.677 -3.490 1.00 0.00 C ATOM 100 C SER A 11 -21.411 -6.027 -4.025 1.00 0.00 C ATOM 101 O SER A 11 -21.346 -4.809 -4.193 1.00 0.00 O ATOM 102 CB SER A 11 -22.461 -7.152 -2.053 1.00 0.00 C ATOM 103 OG SER A 11 -21.455 -8.149 -1.994 1.00 0.00 O ATOM 0 H SER A 11 -23.064 -8.703 -3.874 1.00 0.00 H new ATOM 0 HA SER A 11 -23.482 -5.935 -3.501 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.176 -6.306 -1.427 1.00 0.00 H new ATOM 0 HB3 SER A 11 -23.393 -7.547 -1.649 1.00 0.00 H new ATOM 0 HG SER A 11 -20.583 -7.725 -1.853 1.00 0.00 H new ATOM 109 N PHE A 12 -20.400 -6.848 -4.290 1.00 0.00 N ATOM 110 CA PHE A 12 -19.129 -6.354 -4.804 1.00 0.00 C ATOM 111 C PHE A 12 -18.812 -6.978 -6.161 1.00 0.00 C ATOM 112 O PHE A 12 -19.561 -7.816 -6.662 1.00 0.00 O ATOM 113 CB PHE A 12 -18.001 -6.657 -3.815 1.00 0.00 C ATOM 114 CG PHE A 12 -18.020 -8.068 -3.299 1.00 0.00 C ATOM 115 CD1 PHE A 12 -17.909 -9.140 -4.170 1.00 0.00 C ATOM 116 CD2 PHE A 12 -18.148 -8.321 -1.943 1.00 0.00 C ATOM 117 CE1 PHE A 12 -17.927 -10.438 -3.697 1.00 0.00 C ATOM 118 CE2 PHE A 12 -18.166 -9.618 -1.464 1.00 0.00 C ATOM 119 CZ PHE A 12 -18.054 -10.678 -2.343 1.00 0.00 C ATOM 0 H PHE A 12 -20.437 -7.859 -4.157 1.00 0.00 H new ATOM 0 HA PHE A 12 -19.212 -5.274 -4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.043 -6.469 -4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -18.073 -5.969 -2.972 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.807 -8.959 -5.230 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.235 -7.496 -1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -17.842 -11.265 -4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -18.267 -9.802 -0.405 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.066 -11.692 -1.972 1.00 0.00 H new ATOM 129 N THR A 13 -17.695 -6.562 -6.750 1.00 0.00 N ATOM 130 CA THR A 13 -17.279 -7.077 -8.048 1.00 0.00 C ATOM 131 C THR A 13 -16.260 -8.200 -7.893 1.00 0.00 C ATOM 132 O THR A 13 -15.562 -8.285 -6.882 1.00 0.00 O ATOM 133 CB THR A 13 -16.671 -5.966 -8.925 1.00 0.00 C ATOM 134 OG1 THR A 13 -15.691 -5.235 -8.181 1.00 0.00 O ATOM 135 CG2 THR A 13 -17.752 -5.016 -9.420 1.00 0.00 C ATOM 0 H THR A 13 -17.063 -5.870 -6.348 1.00 0.00 H new ATOM 0 HA THR A 13 -18.173 -7.466 -8.535 1.00 0.00 H new ATOM 0 HB THR A 13 -16.196 -6.433 -9.788 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.309 -4.532 -8.746 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.299 -4.240 -10.037 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.481 -5.571 -10.011 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.251 -4.556 -8.567 1.00 0.00 H new ATOM 143 N LYS A 14 -16.177 -9.062 -8.901 1.00 0.00 N ATOM 144 CA LYS A 14 -15.241 -10.179 -8.879 1.00 0.00 C ATOM 145 C LYS A 14 -13.830 -9.702 -8.550 1.00 0.00 C ATOM 146 O LYS A 14 -13.130 -10.315 -7.746 1.00 0.00 O ATOM 147 CB LYS A 14 -15.245 -10.902 -10.228 1.00 0.00 C ATOM 148 CG LYS A 14 -16.264 -12.025 -10.313 1.00 0.00 C ATOM 149 CD LYS A 14 -17.680 -11.485 -10.426 1.00 0.00 C ATOM 150 CE LYS A 14 -18.707 -12.516 -9.980 1.00 0.00 C ATOM 151 NZ LYS A 14 -20.088 -11.958 -9.978 1.00 0.00 N ATOM 0 H LYS A 14 -16.748 -9.008 -9.745 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.561 -10.872 -8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.447 -10.179 -11.018 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.251 -11.309 -10.415 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.043 -12.653 -11.176 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -16.184 -12.658 -9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.777 -10.586 -9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.879 -11.195 -11.458 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.665 -13.380 -10.643 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.456 -12.869 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.758 -12.691 -9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -20.135 -11.149 -9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -20.337 -11.644 -10.938 1.00 0.00 H new ATOM 165 N GLU A 15 -13.422 -8.603 -9.177 1.00 0.00 N ATOM 166 CA GLU A 15 -12.094 -8.044 -8.949 1.00 0.00 C ATOM 167 C GLU A 15 -11.820 -7.884 -7.457 1.00 0.00 C ATOM 168 O GLU A 15 -10.848 -8.428 -6.933 1.00 0.00 O ATOM 169 CB GLU A 15 -11.959 -6.691 -9.651 1.00 0.00 C ATOM 170 CG GLU A 15 -11.458 -6.794 -11.082 1.00 0.00 C ATOM 171 CD GLU A 15 -12.396 -7.587 -11.972 1.00 0.00 C ATOM 172 OE1 GLU A 15 -13.607 -7.283 -11.976 1.00 0.00 O ATOM 173 OE2 GLU A 15 -11.918 -8.510 -12.665 1.00 0.00 O ATOM 0 H GLU A 15 -13.990 -8.083 -9.845 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.361 -8.736 -9.363 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.928 -6.192 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.276 -6.062 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.334 -5.792 -11.493 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.475 -7.264 -11.086 1.00 0.00 H new ATOM 180 N GLN A 16 -12.682 -7.134 -6.779 1.00 0.00 N ATOM 181 CA GLN A 16 -12.532 -6.901 -5.348 1.00 0.00 C ATOM 182 C GLN A 16 -12.373 -8.219 -4.596 1.00 0.00 C ATOM 183 O GLN A 16 -11.338 -8.472 -3.980 1.00 0.00 O ATOM 184 CB GLN A 16 -13.739 -6.133 -4.805 1.00 0.00 C ATOM 185 CG GLN A 16 -13.993 -4.816 -5.519 1.00 0.00 C ATOM 186 CD GLN A 16 -15.217 -4.093 -4.993 1.00 0.00 C ATOM 187 OE1 GLN A 16 -16.343 -4.570 -5.136 1.00 0.00 O ATOM 188 NE2 GLN A 16 -15.002 -2.936 -4.378 1.00 0.00 N ATOM 0 H GLN A 16 -13.492 -6.677 -7.198 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.632 -6.305 -5.195 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.626 -6.760 -4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.587 -5.938 -3.743 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.120 -4.173 -5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.117 -5.003 -6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.052 -2.578 -4.282 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.787 -2.405 -4.001 1.00 0.00 H new ATOM 197 N ALA A 17 -13.405 -9.054 -4.651 1.00 0.00 N ATOM 198 CA ALA A 17 -13.379 -10.346 -3.977 1.00 0.00 C ATOM 199 C ALA A 17 -12.085 -11.096 -4.277 1.00 0.00 C ATOM 200 O ALA A 17 -11.458 -11.655 -3.378 1.00 0.00 O ATOM 201 CB ALA A 17 -14.582 -11.181 -4.390 1.00 0.00 C ATOM 0 H ALA A 17 -14.270 -8.859 -5.155 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.425 -10.168 -2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.550 -12.143 -3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.499 -10.657 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.561 -11.342 -5.468 1.00 0.00 H new ATOM 207 N ASP A 18 -11.692 -11.104 -5.546 1.00 0.00 N ATOM 208 CA ASP A 18 -10.472 -11.784 -5.964 1.00 0.00 C ATOM 209 C ASP A 18 -9.253 -11.199 -5.258 1.00 0.00 C ATOM 210 O ASP A 18 -8.227 -11.864 -5.116 1.00 0.00 O ATOM 211 CB ASP A 18 -10.298 -11.678 -7.480 1.00 0.00 C ATOM 212 CG ASP A 18 -11.124 -12.704 -8.231 1.00 0.00 C ATOM 213 OD1 ASP A 18 -11.414 -13.771 -7.652 1.00 0.00 O ATOM 214 OD2 ASP A 18 -11.480 -12.440 -9.399 1.00 0.00 O ATOM 0 H ASP A 18 -12.201 -10.647 -6.303 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.559 -12.835 -5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.582 -10.678 -7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.246 -11.808 -7.732 1.00 0.00 H new ATOM 219 N ALA A 19 -9.374 -9.951 -4.817 1.00 0.00 N ATOM 220 CA ALA A 19 -8.283 -9.277 -4.125 1.00 0.00 C ATOM 221 C ALA A 19 -8.168 -9.757 -2.682 1.00 0.00 C ATOM 222 O ALA A 19 -7.092 -10.151 -2.233 1.00 0.00 O ATOM 223 CB ALA A 19 -8.483 -7.769 -4.167 1.00 0.00 C ATOM 0 H ALA A 19 -10.217 -9.387 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.353 -9.524 -4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.661 -7.278 -3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.507 -7.434 -5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.424 -7.513 -3.681 1.00 0.00 H new ATOM 229 N ILE A 20 -9.284 -9.720 -1.961 1.00 0.00 N ATOM 230 CA ILE A 20 -9.308 -10.152 -0.569 1.00 0.00 C ATOM 231 C ILE A 20 -8.927 -11.623 -0.443 1.00 0.00 C ATOM 232 O ILE A 20 -8.102 -11.992 0.392 1.00 0.00 O ATOM 233 CB ILE A 20 -10.696 -9.936 0.063 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.061 -8.450 0.049 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.720 -10.480 1.484 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.831 -8.029 -1.183 1.00 0.00 C ATOM 0 H ILE A 20 -10.183 -9.395 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.577 -9.544 -0.037 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.436 -10.478 -0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.654 -8.222 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.148 -7.859 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.707 -10.320 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.498 -11.547 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.972 -9.963 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.056 -6.964 -1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.231 -8.226 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.762 -8.594 -1.241 1.00 0.00 H new ATOM 248 N ARG A 21 -9.533 -12.459 -1.280 1.00 0.00 N ATOM 249 CA ARG A 21 -9.258 -13.890 -1.263 1.00 0.00 C ATOM 250 C ARG A 21 -7.758 -14.156 -1.357 1.00 0.00 C ATOM 251 O ARG A 21 -7.259 -15.147 -0.824 1.00 0.00 O ATOM 252 CB ARG A 21 -9.983 -14.585 -2.417 1.00 0.00 C ATOM 253 CG ARG A 21 -9.182 -14.615 -3.709 1.00 0.00 C ATOM 254 CD ARG A 21 -9.936 -15.338 -4.815 1.00 0.00 C ATOM 255 NE ARG A 21 -9.193 -15.339 -6.073 1.00 0.00 N ATOM 256 CZ ARG A 21 -8.120 -16.090 -6.292 1.00 0.00 C ATOM 257 NH1 ARG A 21 -7.667 -16.897 -5.344 1.00 0.00 N ATOM 258 NH2 ARG A 21 -7.499 -16.036 -7.464 1.00 0.00 N ATOM 0 H ARG A 21 -10.218 -12.169 -1.978 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.623 -14.293 -0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.220 -15.607 -2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.930 -14.077 -2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.960 -13.596 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.227 -15.110 -3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.132 -16.366 -4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.904 -14.860 -4.966 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.516 -14.729 -6.824 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.143 -16.943 -4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.843 -17.473 -5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.846 -15.417 -8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.675 -16.613 -7.632 1.00 0.00 H new ATOM 272 N ARG A 22 -7.046 -13.265 -2.038 1.00 0.00 N ATOM 273 CA ARG A 22 -5.604 -13.404 -2.203 1.00 0.00 C ATOM 274 C ARG A 22 -4.864 -12.902 -0.967 1.00 0.00 C ATOM 275 O ARG A 22 -4.075 -13.630 -0.365 1.00 0.00 O ATOM 276 CB ARG A 22 -5.134 -12.636 -3.440 1.00 0.00 C ATOM 277 CG ARG A 22 -5.175 -13.456 -4.719 1.00 0.00 C ATOM 278 CD ARG A 22 -4.049 -14.478 -4.761 1.00 0.00 C ATOM 279 NE ARG A 22 -4.367 -15.606 -5.632 1.00 0.00 N ATOM 280 CZ ARG A 22 -4.165 -15.601 -6.945 1.00 0.00 C ATOM 281 NH1 ARG A 22 -3.648 -14.532 -7.535 1.00 0.00 N ATOM 282 NH2 ARG A 22 -4.480 -16.666 -7.670 1.00 0.00 N ATOM 0 H ARG A 22 -7.444 -12.439 -2.485 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.379 -14.462 -2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.757 -11.751 -3.566 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.115 -12.287 -3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.135 -13.967 -4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.098 -12.793 -5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.135 -13.997 -5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.852 -14.843 -3.753 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.766 -16.444 -5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.404 -13.711 -6.981 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.494 -14.530 -8.543 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.878 -17.490 -7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.324 -16.661 -8.678 1.00 0.00 H new ATOM 296 N ILE A 23 -5.124 -11.653 -0.595 1.00 0.00 N ATOM 297 CA ILE A 23 -4.484 -11.053 0.569 1.00 0.00 C ATOM 298 C ILE A 23 -4.441 -12.032 1.737 1.00 0.00 C ATOM 299 O ILE A 23 -3.427 -12.149 2.426 1.00 0.00 O ATOM 300 CB ILE A 23 -5.211 -9.771 1.014 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.163 -8.719 -0.096 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.593 -9.229 2.294 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.921 -7.454 0.238 1.00 0.00 C ATOM 0 H ILE A 23 -5.774 -11.037 -1.083 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.466 -10.798 0.273 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.255 -10.013 1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.123 -8.466 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.573 -9.148 -1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.118 -8.323 2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.676 -9.976 3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.542 -8.999 2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.844 -6.753 -0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.970 -7.694 0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.497 -7.001 1.134 1.00 0.00 H new ATOM 315 N ARG A 24 -5.547 -12.736 1.954 1.00 0.00 N ATOM 316 CA ARG A 24 -5.636 -13.706 3.039 1.00 0.00 C ATOM 317 C ARG A 24 -4.901 -14.993 2.678 1.00 0.00 C ATOM 318 O ARG A 24 -4.417 -15.709 3.553 1.00 0.00 O ATOM 319 CB ARG A 24 -7.100 -14.013 3.358 1.00 0.00 C ATOM 320 CG ARG A 24 -7.868 -14.603 2.186 1.00 0.00 C ATOM 321 CD ARG A 24 -9.357 -14.312 2.293 1.00 0.00 C ATOM 322 NE ARG A 24 -10.164 -15.350 1.658 1.00 0.00 N ATOM 323 CZ ARG A 24 -11.438 -15.578 1.960 1.00 0.00 C ATOM 324 NH1 ARG A 24 -12.045 -14.844 2.882 1.00 0.00 N ATOM 325 NH2 ARG A 24 -12.106 -16.541 1.339 1.00 0.00 N ATOM 0 H ARG A 24 -6.394 -12.653 1.393 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.163 -13.273 3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.142 -14.708 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.593 -13.096 3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.482 -14.193 1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.708 -15.681 2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.635 -14.228 3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.573 -13.350 1.828 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.726 -15.932 0.944 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.534 -14.102 3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.023 -15.021 3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.642 -17.107 0.629 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.084 -16.715 1.572 1.00 0.00 H new ATOM 339 N ASN A 25 -4.824 -15.282 1.383 1.00 0.00 N ATOM 340 CA ASN A 25 -4.150 -16.484 0.906 1.00 0.00 C ATOM 341 C ASN A 25 -2.738 -16.162 0.427 1.00 0.00 C ATOM 342 O ASN A 25 -2.091 -16.981 -0.225 1.00 0.00 O ATOM 343 CB ASN A 25 -4.951 -17.127 -0.227 1.00 0.00 C ATOM 344 CG ASN A 25 -6.175 -17.868 0.277 1.00 0.00 C ATOM 345 OD1 ASN A 25 -6.090 -18.667 1.210 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.321 -17.604 -0.339 1.00 0.00 N ATOM 0 H ASN A 25 -5.220 -14.700 0.645 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.081 -17.186 1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.261 -16.356 -0.932 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.310 -17.819 -0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.178 -18.071 -0.043 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.344 -16.934 -1.108 1.00 0.00 H new ATOM 353 N SER A 26 -2.266 -14.963 0.756 1.00 0.00 N ATOM 354 CA SER A 26 -0.932 -14.531 0.357 1.00 0.00 C ATOM 355 C SER A 26 0.118 -15.020 1.350 1.00 0.00 C ATOM 356 O SER A 26 -0.195 -15.328 2.500 1.00 0.00 O ATOM 357 CB SER A 26 -0.878 -13.006 0.250 1.00 0.00 C ATOM 358 OG SER A 26 -1.683 -12.540 -0.819 1.00 0.00 O ATOM 0 H SER A 26 -2.788 -14.274 1.298 1.00 0.00 H new ATOM 0 HA SER A 26 -0.713 -14.965 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.217 -12.561 1.185 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.153 -12.685 0.099 1.00 0.00 H new ATOM 0 HG SER A 26 -2.447 -13.142 -0.940 1.00 0.00 H new ATOM 364 N LYS A 27 1.365 -15.089 0.897 1.00 0.00 N ATOM 365 CA LYS A 27 2.463 -15.539 1.744 1.00 0.00 C ATOM 366 C LYS A 27 3.438 -14.400 2.022 1.00 0.00 C ATOM 367 O LYS A 27 4.387 -14.556 2.791 1.00 0.00 O ATOM 368 CB LYS A 27 3.201 -16.705 1.081 1.00 0.00 C ATOM 369 CG LYS A 27 2.300 -17.597 0.244 1.00 0.00 C ATOM 370 CD LYS A 27 1.410 -18.467 1.115 1.00 0.00 C ATOM 371 CE LYS A 27 2.157 -19.688 1.631 1.00 0.00 C ATOM 372 NZ LYS A 27 2.373 -20.699 0.559 1.00 0.00 N ATOM 0 H LYS A 27 1.641 -14.839 -0.053 1.00 0.00 H new ATOM 0 HA LYS A 27 2.043 -15.874 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.995 -16.309 0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.679 -17.308 1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.681 -16.981 -0.408 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.910 -18.230 -0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.040 -17.882 1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.539 -18.787 0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.120 -19.379 2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.595 -20.139 2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.681 -21.596 0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.485 -20.849 0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.104 -20.358 -0.097 1.00 0.00 H new ATOM 386 N ASP A 28 3.197 -13.254 1.393 1.00 0.00 N ATOM 387 CA ASP A 28 4.053 -12.088 1.576 1.00 0.00 C ATOM 388 C ASP A 28 3.366 -10.825 1.065 1.00 0.00 C ATOM 389 O ASP A 28 2.309 -10.892 0.437 1.00 0.00 O ATOM 390 CB ASP A 28 5.385 -12.287 0.851 1.00 0.00 C ATOM 391 CG ASP A 28 6.420 -12.973 1.721 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.920 -12.330 2.667 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.729 -14.153 1.456 1.00 0.00 O ATOM 0 H ASP A 28 2.417 -13.108 0.753 1.00 0.00 H new ATOM 0 HA ASP A 28 4.243 -11.971 2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.221 -12.880 -0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.769 -11.319 0.530 1.00 0.00 H new ATOM 398 N SER A 29 3.973 -9.675 1.338 1.00 0.00 N ATOM 399 CA SER A 29 3.417 -8.396 0.911 1.00 0.00 C ATOM 400 C SER A 29 3.404 -8.292 -0.611 1.00 0.00 C ATOM 401 O SER A 29 2.439 -7.805 -1.202 1.00 0.00 O ATOM 402 CB SER A 29 4.225 -7.241 1.505 1.00 0.00 C ATOM 403 OG SER A 29 4.308 -7.349 2.916 1.00 0.00 O ATOM 0 H SER A 29 4.850 -9.602 1.853 1.00 0.00 H new ATOM 0 HA SER A 29 2.390 -8.335 1.272 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.228 -7.237 1.078 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.760 -6.292 1.236 1.00 0.00 H new ATOM 0 HG SER A 29 4.957 -6.699 3.256 1.00 0.00 H new ATOM 409 N TRP A 30 4.480 -8.752 -1.239 1.00 0.00 N ATOM 410 CA TRP A 30 4.593 -8.710 -2.693 1.00 0.00 C ATOM 411 C TRP A 30 3.335 -9.264 -3.352 1.00 0.00 C ATOM 412 O TRP A 30 2.858 -8.725 -4.351 1.00 0.00 O ATOM 413 CB TRP A 30 5.817 -9.504 -3.152 1.00 0.00 C ATOM 414 CG TRP A 30 7.042 -9.234 -2.333 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.813 -10.155 -1.683 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.637 -7.957 -2.077 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.850 -9.527 -1.037 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.765 -8.179 -1.263 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.327 -6.648 -2.456 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.582 -7.140 -0.824 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.138 -5.618 -2.019 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.255 -5.869 -1.210 1.00 0.00 C ATOM 0 H TRP A 30 5.287 -9.158 -0.765 1.00 0.00 H new ATOM 0 HA TRP A 30 4.710 -7.669 -2.995 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.587 -10.569 -3.109 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.026 -9.265 -4.195 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.634 -11.220 -1.678 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.567 -9.990 -0.479 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.469 -6.445 -3.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.443 -7.331 -0.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.907 -4.603 -2.306 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.870 -5.043 -0.885 1.00 0.00 H new ATOM 433 N ASP A 31 2.802 -10.342 -2.788 1.00 0.00 N ATOM 434 CA ASP A 31 1.597 -10.968 -3.322 1.00 0.00 C ATOM 435 C ASP A 31 0.390 -10.051 -3.157 1.00 0.00 C ATOM 436 O ASP A 31 -0.399 -9.874 -4.085 1.00 0.00 O ATOM 437 CB ASP A 31 1.338 -12.303 -2.622 1.00 0.00 C ATOM 438 CG ASP A 31 0.637 -13.302 -3.522 1.00 0.00 C ATOM 439 OD1 ASP A 31 0.898 -13.286 -4.744 1.00 0.00 O ATOM 440 OD2 ASP A 31 -0.173 -14.099 -3.005 1.00 0.00 O ATOM 0 H ASP A 31 3.185 -10.801 -1.961 1.00 0.00 H new ATOM 0 HA ASP A 31 1.751 -11.148 -4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.286 -12.724 -2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.732 -12.132 -1.732 1.00 0.00 H new ATOM 445 N MET A 32 0.251 -9.471 -1.969 1.00 0.00 N ATOM 446 CA MET A 32 -0.861 -8.572 -1.683 1.00 0.00 C ATOM 447 C MET A 32 -0.859 -7.384 -2.639 1.00 0.00 C ATOM 448 O MET A 32 -1.766 -7.232 -3.459 1.00 0.00 O ATOM 449 CB MET A 32 -0.786 -8.078 -0.237 1.00 0.00 C ATOM 450 CG MET A 32 -1.338 -9.070 0.774 1.00 0.00 C ATOM 451 SD MET A 32 -0.980 -8.598 2.477 1.00 0.00 S ATOM 452 CE MET A 32 0.317 -9.764 2.885 1.00 0.00 C ATOM 0 H MET A 32 0.894 -9.608 -1.189 1.00 0.00 H new ATOM 0 HA MET A 32 -1.789 -9.126 -1.822 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.253 -7.860 0.010 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.337 -7.141 -0.153 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.417 -9.154 0.643 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.916 -10.056 0.578 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.056 -10.292 3.802 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.430 -10.481 2.072 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.255 -9.229 3.030 1.00 0.00 H new ATOM 462 N LEU A 33 0.164 -6.543 -2.530 1.00 0.00 N ATOM 463 CA LEU A 33 0.284 -5.368 -3.385 1.00 0.00 C ATOM 464 C LEU A 33 0.474 -5.772 -4.844 1.00 0.00 C ATOM 465 O LEU A 33 0.045 -5.066 -5.755 1.00 0.00 O ATOM 466 CB LEU A 33 1.456 -4.498 -2.929 1.00 0.00 C ATOM 467 CG LEU A 33 1.487 -4.140 -1.442 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.786 -3.431 -1.091 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.290 -3.275 -1.076 1.00 0.00 C ATOM 0 H LEU A 33 0.923 -6.654 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.640 -4.795 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.384 -5.014 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.441 -3.573 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 33 1.433 -5.063 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.790 -3.184 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.629 -4.084 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.871 -2.516 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.329 -3.030 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.313 -2.356 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.630 -3.818 -1.290 1.00 0.00 H new ATOM 481 N GLY A 34 1.118 -6.916 -5.056 1.00 0.00 N ATOM 482 CA GLY A 34 1.351 -7.397 -6.405 1.00 0.00 C ATOM 483 C GLY A 34 2.543 -6.727 -7.061 1.00 0.00 C ATOM 484 O GLY A 34 2.504 -6.396 -8.246 1.00 0.00 O ATOM 0 H GLY A 34 1.482 -7.518 -4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.512 -8.475 -6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.461 -7.221 -7.009 1.00 0.00 H new ATOM 488 N VAL A 35 3.605 -6.525 -6.289 1.00 0.00 N ATOM 489 CA VAL A 35 4.813 -5.889 -6.801 1.00 0.00 C ATOM 490 C VAL A 35 6.058 -6.675 -6.404 1.00 0.00 C ATOM 491 O VAL A 35 6.169 -7.157 -5.277 1.00 0.00 O ATOM 492 CB VAL A 35 4.947 -4.443 -6.289 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.770 -3.600 -6.754 1.00 0.00 C ATOM 494 CG2 VAL A 35 5.061 -4.424 -4.772 1.00 0.00 C ATOM 0 H VAL A 35 3.654 -6.793 -5.306 1.00 0.00 H new ATOM 0 HA VAL A 35 4.727 -5.875 -7.887 1.00 0.00 H new ATOM 0 HB VAL A 35 5.858 -4.012 -6.705 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.883 -2.582 -6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.739 -3.587 -7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.843 -4.026 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.155 -3.394 -4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.169 -4.873 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.940 -4.991 -4.466 1.00 0.00 H new ATOM 504 N LYS A 36 6.995 -6.800 -7.339 1.00 0.00 N ATOM 505 CA LYS A 36 8.234 -7.526 -7.088 1.00 0.00 C ATOM 506 C LYS A 36 8.913 -7.020 -5.819 1.00 0.00 C ATOM 507 O LYS A 36 8.744 -5.871 -5.411 1.00 0.00 O ATOM 508 CB LYS A 36 9.184 -7.381 -8.279 1.00 0.00 C ATOM 509 CG LYS A 36 9.865 -6.026 -8.354 1.00 0.00 C ATOM 510 CD LYS A 36 9.077 -5.052 -9.214 1.00 0.00 C ATOM 511 CE LYS A 36 9.232 -5.366 -10.694 1.00 0.00 C ATOM 512 NZ LYS A 36 10.534 -4.880 -11.231 1.00 0.00 N ATOM 0 H LYS A 36 6.919 -6.408 -8.277 1.00 0.00 H new ATOM 0 HA LYS A 36 7.988 -8.579 -6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.946 -8.158 -8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.626 -7.549 -9.200 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.976 -5.618 -7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.868 -6.144 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.023 -5.094 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.417 -4.035 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.155 -6.443 -10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.415 -4.906 -11.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.601 -5.113 -12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.597 -3.849 -11.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.314 -5.338 -10.718 1.00 0.00 H new ATOM 526 N PRO A 37 9.702 -7.897 -5.179 1.00 0.00 N ATOM 527 CA PRO A 37 10.424 -7.560 -3.949 1.00 0.00 C ATOM 528 C PRO A 37 11.557 -6.571 -4.194 1.00 0.00 C ATOM 529 O PRO A 37 12.103 -5.992 -3.255 1.00 0.00 O ATOM 530 CB PRO A 37 10.981 -8.908 -3.485 1.00 0.00 C ATOM 531 CG PRO A 37 11.086 -9.723 -4.728 1.00 0.00 C ATOM 532 CD PRO A 37 9.949 -9.283 -5.608 1.00 0.00 C ATOM 0 HA PRO A 37 9.778 -7.075 -3.217 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.953 -8.791 -3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.321 -9.380 -2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.045 -9.563 -5.220 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.017 -10.787 -4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.215 -9.335 -6.664 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.068 -9.910 -5.469 1.00 0.00 H new ATOM 540 N GLY A 38 11.907 -6.380 -5.462 1.00 0.00 N ATOM 541 CA GLY A 38 12.974 -5.459 -5.808 1.00 0.00 C ATOM 542 C GLY A 38 12.451 -4.113 -6.270 1.00 0.00 C ATOM 543 O GLY A 38 13.171 -3.347 -6.909 1.00 0.00 O ATOM 0 H GLY A 38 11.470 -6.847 -6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.621 -5.316 -4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.587 -5.897 -6.596 1.00 0.00 H new ATOM 547 N ALA A 39 11.195 -3.826 -5.947 1.00 0.00 N ATOM 548 CA ALA A 39 10.577 -2.563 -6.332 1.00 0.00 C ATOM 549 C ALA A 39 11.116 -1.410 -5.494 1.00 0.00 C ATOM 550 O ALA A 39 12.014 -1.593 -4.673 1.00 0.00 O ATOM 551 CB ALA A 39 9.064 -2.654 -6.199 1.00 0.00 C ATOM 0 H ALA A 39 10.585 -4.451 -5.420 1.00 0.00 H new ATOM 0 HA ALA A 39 10.828 -2.367 -7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.615 -1.704 -6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.689 -3.446 -6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.802 -2.877 -5.165 1.00 0.00 H new ATOM 557 N SER A 40 10.561 -0.220 -5.706 1.00 0.00 N ATOM 558 CA SER A 40 10.990 0.965 -4.973 1.00 0.00 C ATOM 559 C SER A 40 9.810 1.617 -4.257 1.00 0.00 C ATOM 560 O SER A 40 8.663 1.203 -4.425 1.00 0.00 O ATOM 561 CB SER A 40 11.644 1.970 -5.923 1.00 0.00 C ATOM 562 OG SER A 40 13.009 1.656 -6.137 1.00 0.00 O ATOM 0 H SER A 40 9.814 -0.052 -6.379 1.00 0.00 H new ATOM 0 HA SER A 40 11.720 0.655 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.114 1.972 -6.876 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.559 2.975 -5.509 1.00 0.00 H new ATOM 0 HG SER A 40 13.404 2.312 -6.749 1.00 0.00 H new ATOM 568 N ARG A 41 10.102 2.639 -3.460 1.00 0.00 N ATOM 569 CA ARG A 41 9.067 3.349 -2.717 1.00 0.00 C ATOM 570 C ARG A 41 8.099 4.048 -3.667 1.00 0.00 C ATOM 571 O ARG A 41 7.094 4.615 -3.239 1.00 0.00 O ATOM 572 CB ARG A 41 9.699 4.372 -1.771 1.00 0.00 C ATOM 573 CG ARG A 41 8.687 5.108 -0.907 1.00 0.00 C ATOM 574 CD ARG A 41 9.304 5.563 0.406 1.00 0.00 C ATOM 575 NE ARG A 41 8.299 6.076 1.334 1.00 0.00 N ATOM 576 CZ ARG A 41 8.584 6.531 2.548 1.00 0.00 C ATOM 577 NH1 ARG A 41 9.837 6.537 2.980 1.00 0.00 N ATOM 578 NH2 ARG A 41 7.614 6.981 3.334 1.00 0.00 N ATOM 0 H ARG A 41 11.047 2.994 -3.312 1.00 0.00 H new ATOM 0 HA ARG A 41 8.510 2.619 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.414 3.863 -1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.260 5.099 -2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.304 5.972 -1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.837 4.456 -0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.831 4.728 0.868 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.045 6.338 0.209 1.00 0.00 H new ATOM 0 HE ARG A 41 7.325 6.085 1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.585 6.191 2.379 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.053 6.887 3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.648 6.977 3.005 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.834 7.330 4.267 1.00 0.00 H new ATOM 592 N ASP A 42 8.410 4.004 -4.958 1.00 0.00 N ATOM 593 CA ASP A 42 7.568 4.633 -5.969 1.00 0.00 C ATOM 594 C ASP A 42 6.565 3.635 -6.538 1.00 0.00 C ATOM 595 O ASP A 42 5.481 4.014 -6.979 1.00 0.00 O ATOM 596 CB ASP A 42 8.430 5.208 -7.095 1.00 0.00 C ATOM 597 CG ASP A 42 7.688 5.271 -8.416 1.00 0.00 C ATOM 598 OD1 ASP A 42 7.580 4.223 -9.086 1.00 0.00 O ATOM 599 OD2 ASP A 42 7.217 6.369 -8.780 1.00 0.00 O ATOM 0 H ASP A 42 9.239 3.539 -5.329 1.00 0.00 H new ATOM 0 HA ASP A 42 7.016 5.444 -5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.762 6.209 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.325 4.596 -7.213 1.00 0.00 H new ATOM 604 N GLU A 43 6.936 2.358 -6.525 1.00 0.00 N ATOM 605 CA GLU A 43 6.068 1.307 -7.042 1.00 0.00 C ATOM 606 C GLU A 43 5.123 0.798 -5.956 1.00 0.00 C ATOM 607 O GLU A 43 3.915 0.698 -6.167 1.00 0.00 O ATOM 608 CB GLU A 43 6.904 0.148 -7.589 1.00 0.00 C ATOM 609 CG GLU A 43 6.369 -1.222 -7.208 1.00 0.00 C ATOM 610 CD GLU A 43 6.756 -2.298 -8.205 1.00 0.00 C ATOM 611 OE1 GLU A 43 7.957 -2.399 -8.531 1.00 0.00 O ATOM 612 OE2 GLU A 43 5.858 -3.037 -8.658 1.00 0.00 O ATOM 0 H GLU A 43 7.830 2.027 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 43 5.471 1.729 -7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.946 0.223 -8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.926 0.244 -7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.746 -1.493 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.283 -1.176 -7.133 1.00 0.00 H new ATOM 619 N VAL A 44 5.684 0.478 -4.795 1.00 0.00 N ATOM 620 CA VAL A 44 4.894 -0.020 -3.675 1.00 0.00 C ATOM 621 C VAL A 44 3.828 0.990 -3.263 1.00 0.00 C ATOM 622 O VAL A 44 2.752 0.617 -2.798 1.00 0.00 O ATOM 623 CB VAL A 44 5.782 -0.337 -2.458 1.00 0.00 C ATOM 624 CG1 VAL A 44 4.936 -0.827 -1.292 1.00 0.00 C ATOM 625 CG2 VAL A 44 6.842 -1.364 -2.826 1.00 0.00 C ATOM 0 H VAL A 44 6.683 0.555 -4.605 1.00 0.00 H new ATOM 0 HA VAL A 44 4.411 -0.938 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 44 6.287 0.579 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.581 -1.046 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.218 -0.055 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.402 -1.731 -1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.461 -1.576 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.359 -2.282 -3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.467 -0.970 -3.628 1.00 0.00 H new ATOM 635 N ASN A 45 4.136 2.271 -3.438 1.00 0.00 N ATOM 636 CA ASN A 45 3.204 3.336 -3.084 1.00 0.00 C ATOM 637 C ASN A 45 2.129 3.496 -4.155 1.00 0.00 C ATOM 638 O ASN A 45 0.966 3.760 -3.848 1.00 0.00 O ATOM 639 CB ASN A 45 3.954 4.657 -2.897 1.00 0.00 C ATOM 640 CG ASN A 45 4.598 4.767 -1.529 1.00 0.00 C ATOM 641 OD1 ASN A 45 4.117 4.186 -0.556 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.692 5.515 -1.449 1.00 0.00 N ATOM 0 H ASN A 45 5.023 2.597 -3.822 1.00 0.00 H new ATOM 0 HA ASN A 45 2.720 3.065 -2.146 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.722 4.748 -3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.262 5.488 -3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.169 5.626 -0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.055 5.978 -2.282 1.00 0.00 H new ATOM 649 N LYS A 46 2.525 3.334 -5.413 1.00 0.00 N ATOM 650 CA LYS A 46 1.597 3.458 -6.530 1.00 0.00 C ATOM 651 C LYS A 46 0.648 2.265 -6.584 1.00 0.00 C ATOM 652 O LYS A 46 -0.553 2.424 -6.802 1.00 0.00 O ATOM 653 CB LYS A 46 2.365 3.572 -7.848 1.00 0.00 C ATOM 654 CG LYS A 46 2.583 5.005 -8.303 1.00 0.00 C ATOM 655 CD LYS A 46 3.082 5.881 -7.166 1.00 0.00 C ATOM 656 CE LYS A 46 2.802 7.352 -7.432 1.00 0.00 C ATOM 657 NZ LYS A 46 1.474 7.769 -6.902 1.00 0.00 N ATOM 0 H LYS A 46 3.484 3.116 -5.684 1.00 0.00 H new ATOM 0 HA LYS A 46 1.007 4.363 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.333 3.083 -7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.822 3.032 -8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.304 5.023 -9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.649 5.410 -8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.601 5.580 -6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.154 5.732 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.583 7.959 -6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.840 7.541 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.321 8.778 -7.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.726 7.208 -7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.446 7.613 -5.874 1.00 0.00 H new ATOM 671 N ALA A 47 1.195 1.070 -6.383 1.00 0.00 N ATOM 672 CA ALA A 47 0.397 -0.149 -6.406 1.00 0.00 C ATOM 673 C ALA A 47 -0.541 -0.214 -5.205 1.00 0.00 C ATOM 674 O ALA A 47 -1.688 -0.644 -5.324 1.00 0.00 O ATOM 675 CB ALA A 47 1.302 -1.372 -6.438 1.00 0.00 C ATOM 0 H ALA A 47 2.188 0.921 -6.202 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.212 -0.138 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.692 -2.275 -6.455 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.927 -1.339 -7.331 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.936 -1.379 -5.551 1.00 0.00 H new ATOM 681 N TYR A 48 -0.045 0.215 -4.050 1.00 0.00 N ATOM 682 CA TYR A 48 -0.838 0.202 -2.827 1.00 0.00 C ATOM 683 C TYR A 48 -2.086 1.067 -2.977 1.00 0.00 C ATOM 684 O TYR A 48 -3.164 0.710 -2.500 1.00 0.00 O ATOM 685 CB TYR A 48 -0.001 0.698 -1.646 1.00 0.00 C ATOM 686 CG TYR A 48 -0.814 1.389 -0.575 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.183 2.722 -0.707 1.00 0.00 C ATOM 688 CD2 TYR A 48 -1.213 0.709 0.569 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.925 3.358 0.269 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.957 1.337 1.550 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.310 2.661 1.396 1.00 0.00 C ATOM 692 OH TYR A 48 -3.050 3.290 2.370 1.00 0.00 O ATOM 0 H TYR A 48 0.902 0.576 -3.935 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.150 -0.825 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.524 -0.148 -1.203 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.759 1.387 -2.014 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.884 3.270 -1.588 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.937 -0.328 0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.202 4.395 0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.260 0.794 2.433 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.239 2.659 3.096 1.00 0.00 H new ATOM 702 N ARG A 49 -1.932 2.206 -3.645 1.00 0.00 N ATOM 703 CA ARG A 49 -3.045 3.123 -3.859 1.00 0.00 C ATOM 704 C ARG A 49 -4.141 2.462 -4.690 1.00 0.00 C ATOM 705 O ARG A 49 -5.263 2.272 -4.218 1.00 0.00 O ATOM 706 CB ARG A 49 -2.559 4.394 -4.557 1.00 0.00 C ATOM 707 CG ARG A 49 -1.895 5.389 -3.618 1.00 0.00 C ATOM 708 CD ARG A 49 -1.337 6.583 -4.375 1.00 0.00 C ATOM 709 NE ARG A 49 -0.846 7.622 -3.474 1.00 0.00 N ATOM 710 CZ ARG A 49 -1.636 8.350 -2.692 1.00 0.00 C ATOM 711 NH1 ARG A 49 -2.947 8.153 -2.701 1.00 0.00 N ATOM 712 NH2 ARG A 49 -1.114 9.277 -1.899 1.00 0.00 N ATOM 0 H ARG A 49 -1.047 2.516 -4.047 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.459 3.386 -2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.853 4.120 -5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.406 4.877 -5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.619 5.732 -2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.091 4.895 -3.072 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.526 6.254 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.112 6.998 -5.019 1.00 0.00 H new ATOM 0 HE ARG A 49 0.158 7.799 -3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.352 7.441 -3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.551 8.713 -2.100 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.106 9.431 -1.889 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.721 9.836 -1.299 1.00 0.00 H new ATOM 726 N LYS A 50 -3.810 2.114 -5.928 1.00 0.00 N ATOM 727 CA LYS A 50 -4.765 1.474 -6.825 1.00 0.00 C ATOM 728 C LYS A 50 -5.526 0.363 -6.107 1.00 0.00 C ATOM 729 O LYS A 50 -6.699 0.117 -6.391 1.00 0.00 O ATOM 730 CB LYS A 50 -4.044 0.904 -8.049 1.00 0.00 C ATOM 731 CG LYS A 50 -3.185 -0.310 -7.738 1.00 0.00 C ATOM 732 CD LYS A 50 -2.936 -1.150 -8.979 1.00 0.00 C ATOM 733 CE LYS A 50 -1.795 -2.133 -8.768 1.00 0.00 C ATOM 734 NZ LYS A 50 -1.967 -3.367 -9.584 1.00 0.00 N ATOM 0 H LYS A 50 -2.886 2.264 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.481 2.229 -7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.784 0.632 -8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.416 1.681 -8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.232 0.015 -7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.675 -0.919 -6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.844 -1.695 -9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.704 -0.497 -9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.851 -1.654 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.737 -2.401 -7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.169 -4.011 -9.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.855 -3.838 -9.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.997 -3.115 -10.593 1.00 0.00 H new ATOM 748 N LEU A 51 -4.852 -0.303 -5.177 1.00 0.00 N ATOM 749 CA LEU A 51 -5.465 -1.387 -4.416 1.00 0.00 C ATOM 750 C LEU A 51 -6.394 -0.838 -3.338 1.00 0.00 C ATOM 751 O LEU A 51 -7.577 -1.173 -3.295 1.00 0.00 O ATOM 752 CB LEU A 51 -4.385 -2.262 -3.778 1.00 0.00 C ATOM 753 CG LEU A 51 -4.791 -3.701 -3.457 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.246 -4.421 -4.717 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.638 -4.447 -2.801 1.00 0.00 C ATOM 0 H LEU A 51 -3.881 -0.112 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.055 -1.993 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.525 -2.289 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.056 -1.784 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.626 -3.675 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.531 -5.443 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.102 -3.899 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.432 -4.437 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.945 -5.469 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.783 -4.463 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.359 -3.944 -1.875 1.00 0.00 H new ATOM 767 N ALA A 52 -5.849 0.009 -2.471 1.00 0.00 N ATOM 768 CA ALA A 52 -6.630 0.608 -1.395 1.00 0.00 C ATOM 769 C ALA A 52 -8.006 1.041 -1.891 1.00 0.00 C ATOM 770 O ALA A 52 -9.018 0.803 -1.232 1.00 0.00 O ATOM 771 CB ALA A 52 -5.885 1.793 -0.799 1.00 0.00 C ATOM 0 H ALA A 52 -4.870 0.296 -2.492 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.772 -0.145 -0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.480 2.231 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.928 1.458 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.713 2.541 -1.573 1.00 0.00 H new ATOM 777 N VAL A 53 -8.036 1.679 -3.057 1.00 0.00 N ATOM 778 CA VAL A 53 -9.288 2.145 -3.642 1.00 0.00 C ATOM 779 C VAL A 53 -10.236 0.981 -3.910 1.00 0.00 C ATOM 780 O VAL A 53 -11.445 1.091 -3.704 1.00 0.00 O ATOM 781 CB VAL A 53 -9.043 2.907 -4.958 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.363 3.337 -5.579 1.00 0.00 C ATOM 783 CG2 VAL A 53 -8.141 4.108 -4.717 1.00 0.00 C ATOM 0 H VAL A 53 -7.207 1.885 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.743 2.821 -2.919 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.541 2.239 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.170 3.874 -6.508 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.971 2.457 -5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.895 3.989 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.978 4.635 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.614 4.780 -4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.184 3.770 -4.320 1.00 0.00 H new ATOM 793 N LEU A 54 -9.679 -0.134 -4.370 1.00 0.00 N ATOM 794 CA LEU A 54 -10.475 -1.320 -4.666 1.00 0.00 C ATOM 795 C LEU A 54 -10.967 -1.980 -3.382 1.00 0.00 C ATOM 796 O LEU A 54 -12.085 -2.494 -3.325 1.00 0.00 O ATOM 797 CB LEU A 54 -9.654 -2.318 -5.484 1.00 0.00 C ATOM 798 CG LEU A 54 -10.426 -3.499 -6.074 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.380 -3.024 -7.159 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.465 -4.542 -6.626 1.00 0.00 C ATOM 0 H LEU A 54 -8.680 -0.242 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.343 -1.009 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.174 -1.779 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.859 -2.710 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.012 -3.959 -5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.921 -3.878 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.090 -2.314 -6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.814 -2.539 -7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.032 -5.375 -7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.852 -4.094 -7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.822 -4.905 -5.824 1.00 0.00 H new ATOM 812 N LEU A 55 -10.127 -1.961 -2.354 1.00 0.00 N ATOM 813 CA LEU A 55 -10.477 -2.556 -1.068 1.00 0.00 C ATOM 814 C LEU A 55 -10.992 -1.496 -0.100 1.00 0.00 C ATOM 815 O LEU A 55 -11.235 -1.778 1.074 1.00 0.00 O ATOM 816 CB LEU A 55 -9.264 -3.267 -0.466 1.00 0.00 C ATOM 817 CG LEU A 55 -8.465 -4.155 -1.421 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.100 -4.477 -0.833 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.230 -5.434 -1.727 1.00 0.00 C ATOM 0 H LEU A 55 -9.198 -1.540 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.271 -3.284 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.593 -2.513 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.604 -3.879 0.369 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.318 -3.611 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.545 -5.110 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.549 -3.552 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.226 -5.001 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.646 -6.053 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.409 -5.981 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.184 -5.185 -2.191 1.00 0.00 H new ATOM 831 N HIS A 56 -11.157 -0.275 -0.600 1.00 0.00 N ATOM 832 CA HIS A 56 -11.646 0.827 0.221 1.00 0.00 C ATOM 833 C HIS A 56 -12.937 0.441 0.936 1.00 0.00 C ATOM 834 O HIS A 56 -13.799 -0.245 0.386 1.00 0.00 O ATOM 835 CB HIS A 56 -11.878 2.069 -0.641 1.00 0.00 C ATOM 836 CG HIS A 56 -11.633 3.356 0.084 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.644 4.223 0.440 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.483 3.920 0.522 1.00 0.00 C ATOM 839 CE1 HIS A 56 -12.126 5.267 1.064 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.817 5.107 1.127 1.00 0.00 N ATOM 0 H HIS A 56 -10.959 -0.024 -1.569 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.889 1.052 0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.226 2.023 -1.513 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.904 2.059 -1.010 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.488 3.513 0.416 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.679 6.108 1.456 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.160 5.759 1.556 1.00 0.00 H new ATOM 848 N PRO A 57 -13.076 0.891 2.192 1.00 0.00 N ATOM 849 CA PRO A 57 -14.259 0.605 3.009 1.00 0.00 C ATOM 850 C PRO A 57 -15.501 1.333 2.507 1.00 0.00 C ATOM 851 O PRO A 57 -16.617 0.826 2.618 1.00 0.00 O ATOM 852 CB PRO A 57 -13.864 1.116 4.397 1.00 0.00 C ATOM 853 CG PRO A 57 -12.836 2.163 4.136 1.00 0.00 C ATOM 854 CD PRO A 57 -12.089 1.714 2.911 1.00 0.00 C ATOM 0 HA PRO A 57 -14.522 -0.453 2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.723 1.528 4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.463 0.313 5.015 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.302 3.135 3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.163 2.269 4.987 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.757 2.561 2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.200 1.140 3.171 1.00 0.00 H new ATOM 862 N ASP A 58 -15.299 2.524 1.954 1.00 0.00 N ATOM 863 CA ASP A 58 -16.403 3.322 1.432 1.00 0.00 C ATOM 864 C ASP A 58 -16.714 2.941 -0.012 1.00 0.00 C ATOM 865 O ASP A 58 -17.642 3.475 -0.620 1.00 0.00 O ATOM 866 CB ASP A 58 -16.069 4.812 1.519 1.00 0.00 C ATOM 867 CG ASP A 58 -17.308 5.685 1.510 1.00 0.00 C ATOM 868 OD1 ASP A 58 -18.209 5.428 0.683 1.00 0.00 O ATOM 869 OD2 ASP A 58 -17.378 6.624 2.329 1.00 0.00 O ATOM 0 H ASP A 58 -14.381 2.958 1.856 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.285 3.119 2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.501 5.001 2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.428 5.087 0.681 1.00 0.00 H new ATOM 874 N LYS A 59 -15.933 2.014 -0.555 1.00 0.00 N ATOM 875 CA LYS A 59 -16.124 1.561 -1.928 1.00 0.00 C ATOM 876 C LYS A 59 -16.461 0.073 -1.967 1.00 0.00 C ATOM 877 O LYS A 59 -17.140 -0.395 -2.882 1.00 0.00 O ATOM 878 CB LYS A 59 -14.866 1.831 -2.756 1.00 0.00 C ATOM 879 CG LYS A 59 -14.421 3.284 -2.730 1.00 0.00 C ATOM 880 CD LYS A 59 -15.049 4.079 -3.862 1.00 0.00 C ATOM 881 CE LYS A 59 -15.140 5.559 -3.519 1.00 0.00 C ATOM 882 NZ LYS A 59 -16.074 5.809 -2.387 1.00 0.00 N ATOM 0 H LYS A 59 -15.161 1.561 -0.065 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.959 2.117 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.055 1.205 -2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.050 1.534 -3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.694 3.732 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.335 3.334 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.459 3.950 -4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -16.046 3.691 -4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.149 5.934 -3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.474 6.115 -4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.833 6.449 -2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.488 4.908 -2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.555 6.245 -1.598 1.00 0.00 H new ATOM 896 N CYS A 60 -15.984 -0.663 -0.970 1.00 0.00 N ATOM 897 CA CYS A 60 -16.236 -2.098 -0.891 1.00 0.00 C ATOM 898 C CYS A 60 -16.873 -2.465 0.445 1.00 0.00 C ATOM 899 O CYS A 60 -16.198 -2.518 1.473 1.00 0.00 O ATOM 900 CB CYS A 60 -14.933 -2.876 -1.079 1.00 0.00 C ATOM 901 SG CYS A 60 -15.169 -4.622 -1.489 1.00 0.00 S ATOM 0 H CYS A 60 -15.421 -0.291 -0.205 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.929 -2.365 -1.689 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.351 -2.403 -1.870 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.344 -2.805 -0.164 1.00 0.00 H new ATOM 0 HG CYS A 60 -14.011 -5.195 -1.631 1.00 0.00 H new ATOM 907 N VAL A 61 -18.178 -2.717 0.423 1.00 0.00 N ATOM 908 CA VAL A 61 -18.908 -3.078 1.632 1.00 0.00 C ATOM 909 C VAL A 61 -18.739 -4.559 1.954 1.00 0.00 C ATOM 910 O VAL A 61 -19.402 -5.091 2.844 1.00 0.00 O ATOM 911 CB VAL A 61 -20.409 -2.761 1.499 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.623 -1.269 1.294 1.00 0.00 C ATOM 913 CG2 VAL A 61 -21.022 -3.557 0.357 1.00 0.00 C ATOM 0 H VAL A 61 -18.751 -2.678 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.490 -2.482 2.443 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.908 -3.052 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.690 -1.064 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.221 -0.723 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.112 -0.950 0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -22.083 -3.321 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.522 -3.299 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.901 -4.623 0.550 1.00 0.00 H new ATOM 923 N ALA A 62 -17.848 -5.220 1.223 1.00 0.00 N ATOM 924 CA ALA A 62 -17.590 -6.639 1.431 1.00 0.00 C ATOM 925 C ALA A 62 -17.122 -6.908 2.857 1.00 0.00 C ATOM 926 O ALA A 62 -16.574 -6.036 3.532 1.00 0.00 O ATOM 927 CB ALA A 62 -16.558 -7.141 0.432 1.00 0.00 C ATOM 0 H ALA A 62 -17.292 -4.795 0.481 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.524 -7.179 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.376 -8.202 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.930 -6.992 -0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.628 -6.588 0.561 1.00 0.00 H new ATOM 933 N PRO A 63 -17.342 -8.144 3.330 1.00 0.00 N ATOM 934 CA PRO A 63 -16.950 -8.556 4.681 1.00 0.00 C ATOM 935 C PRO A 63 -15.437 -8.659 4.840 1.00 0.00 C ATOM 936 O PRO A 63 -14.885 -8.283 5.873 1.00 0.00 O ATOM 937 CB PRO A 63 -17.599 -9.934 4.834 1.00 0.00 C ATOM 938 CG PRO A 63 -17.740 -10.443 3.441 1.00 0.00 C ATOM 939 CD PRO A 63 -17.990 -9.234 2.582 1.00 0.00 C ATOM 0 HA PRO A 63 -17.266 -7.835 5.435 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -16.980 -10.598 5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.567 -9.863 5.329 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.839 -10.967 3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.564 -11.152 3.366 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.558 -9.351 1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.056 -9.050 2.447 1.00 0.00 H new ATOM 947 N GLY A 64 -14.772 -9.171 3.809 1.00 0.00 N ATOM 948 CA GLY A 64 -13.328 -9.314 3.855 1.00 0.00 C ATOM 949 C GLY A 64 -12.607 -8.046 3.444 1.00 0.00 C ATOM 950 O GLY A 64 -11.478 -7.801 3.867 1.00 0.00 O ATOM 0 H GLY A 64 -15.207 -9.489 2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.025 -9.589 4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.026 -10.130 3.198 1.00 0.00 H new ATOM 954 N SER A 65 -13.260 -7.238 2.615 1.00 0.00 N ATOM 955 CA SER A 65 -12.671 -5.990 2.142 1.00 0.00 C ATOM 956 C SER A 65 -11.954 -5.264 3.275 1.00 0.00 C ATOM 957 O SER A 65 -10.828 -4.795 3.111 1.00 0.00 O ATOM 958 CB SER A 65 -13.752 -5.086 1.545 1.00 0.00 C ATOM 959 OG SER A 65 -14.722 -4.741 2.518 1.00 0.00 O ATOM 0 H SER A 65 -14.197 -7.425 2.257 1.00 0.00 H new ATOM 0 HA SER A 65 -11.941 -6.231 1.369 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.294 -4.181 1.146 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.235 -5.594 0.710 1.00 0.00 H new ATOM 0 HG SER A 65 -15.115 -5.557 2.892 1.00 0.00 H new ATOM 965 N GLU A 66 -12.614 -5.176 4.425 1.00 0.00 N ATOM 966 CA GLU A 66 -12.040 -4.506 5.586 1.00 0.00 C ATOM 967 C GLU A 66 -10.686 -5.110 5.947 1.00 0.00 C ATOM 968 O GLU A 66 -9.671 -4.413 5.977 1.00 0.00 O ATOM 969 CB GLU A 66 -12.990 -4.605 6.782 1.00 0.00 C ATOM 970 CG GLU A 66 -12.405 -4.054 8.071 1.00 0.00 C ATOM 971 CD GLU A 66 -12.991 -4.712 9.306 1.00 0.00 C ATOM 972 OE1 GLU A 66 -13.121 -5.953 9.312 1.00 0.00 O ATOM 973 OE2 GLU A 66 -13.319 -3.983 10.266 1.00 0.00 O ATOM 0 H GLU A 66 -13.546 -5.560 4.578 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.895 -3.456 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.909 -4.067 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.262 -5.650 6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.324 -4.197 8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.584 -2.980 8.117 1.00 0.00 H new ATOM 980 N ASP A 67 -10.678 -6.409 6.222 1.00 0.00 N ATOM 981 CA ASP A 67 -9.449 -7.108 6.581 1.00 0.00 C ATOM 982 C ASP A 67 -8.395 -6.947 5.491 1.00 0.00 C ATOM 983 O ASP A 67 -7.205 -6.819 5.779 1.00 0.00 O ATOM 984 CB ASP A 67 -9.732 -8.592 6.820 1.00 0.00 C ATOM 985 CG ASP A 67 -10.807 -8.816 7.866 1.00 0.00 C ATOM 986 OD1 ASP A 67 -10.758 -8.147 8.919 1.00 0.00 O ATOM 987 OD2 ASP A 67 -11.696 -9.661 7.632 1.00 0.00 O ATOM 0 H ASP A 67 -11.509 -7.000 6.203 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.065 -6.667 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.039 -9.056 5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.814 -9.088 7.135 1.00 0.00 H new ATOM 992 N ALA A 68 -8.839 -6.957 4.239 1.00 0.00 N ATOM 993 CA ALA A 68 -7.934 -6.811 3.106 1.00 0.00 C ATOM 994 C ALA A 68 -7.098 -5.542 3.231 1.00 0.00 C ATOM 995 O ALA A 68 -5.868 -5.592 3.209 1.00 0.00 O ATOM 996 CB ALA A 68 -8.718 -6.803 1.802 1.00 0.00 C ATOM 0 H ALA A 68 -9.821 -7.065 3.983 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.254 -7.663 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.029 -6.693 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.266 -7.740 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.421 -5.970 1.805 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.773 -4.405 3.360 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.091 -3.121 3.487 1.00 0.00 C ATOM 1004 C PHE A 69 -6.060 -3.162 4.611 1.00 0.00 C ATOM 1005 O PHE A 69 -4.914 -2.749 4.433 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.105 -2.006 3.750 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.555 -0.628 3.512 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -6.442 -0.183 4.207 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -8.151 0.221 2.593 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -5.935 1.084 3.991 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.647 1.489 2.373 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.537 1.921 3.072 1.00 0.00 C ATOM 0 H PHE A 69 -8.791 -4.346 3.379 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.573 -2.918 2.550 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.974 -2.157 3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.452 -2.077 4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.966 -0.834 4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.019 -0.112 2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.068 1.420 4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -8.121 2.142 1.655 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.141 2.911 2.900 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.476 -3.662 5.769 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.590 -3.758 6.924 1.00 0.00 C ATOM 1024 C LYS A 70 -4.286 -4.458 6.553 1.00 0.00 C ATOM 1025 O LYS A 70 -3.200 -3.984 6.883 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.281 -4.514 8.061 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.076 -3.616 8.993 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.173 -4.386 9.709 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.606 -5.273 10.807 1.00 0.00 C ATOM 1030 NZ LYS A 70 -8.603 -5.526 11.884 1.00 0.00 N ATOM 0 H LYS A 70 -7.422 -4.007 5.933 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.357 -2.747 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.948 -5.263 7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.529 -5.049 8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.406 -3.168 9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.517 -2.798 8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.889 -3.686 10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.718 -4.998 8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.286 -6.222 10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.721 -4.802 11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.179 -6.134 12.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.890 -4.622 12.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.437 -5.999 11.481 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.402 -5.588 5.862 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.233 -6.351 5.443 1.00 0.00 C ATOM 1046 C ALA A 71 -2.327 -5.517 4.544 1.00 0.00 C ATOM 1047 O ALA A 71 -1.115 -5.456 4.751 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.662 -7.624 4.729 1.00 0.00 C ATOM 0 H ALA A 71 -5.294 -5.995 5.581 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.667 -6.621 6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.779 -8.184 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.262 -8.235 5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.253 -7.367 3.850 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.923 -4.875 3.544 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.169 -4.044 2.612 1.00 0.00 C ATOM 1056 C VAL A 72 -1.206 -3.123 3.353 1.00 0.00 C ATOM 1057 O VAL A 72 -0.003 -3.127 3.094 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.106 -3.192 1.736 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.301 -2.294 0.809 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -4.050 -4.083 0.942 1.00 0.00 C ATOM 0 H VAL A 72 -3.925 -4.914 3.358 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.601 -4.720 1.973 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.706 -2.556 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.980 -1.700 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.671 -1.630 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.674 -2.908 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.705 -3.464 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.470 -4.746 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.652 -4.678 1.628 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.745 -2.333 4.277 1.00 0.00 N ATOM 1071 CA VAL A 73 -0.933 -1.406 5.057 1.00 0.00 C ATOM 1072 C VAL A 73 0.261 -2.116 5.684 1.00 0.00 C ATOM 1073 O VAL A 73 1.410 -1.741 5.455 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.760 -0.736 6.170 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.871 0.129 7.050 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -2.892 0.086 5.571 1.00 0.00 C ATOM 0 H VAL A 73 -2.739 -2.316 4.503 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.576 -0.640 4.368 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.197 -1.516 6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.473 0.594 7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.099 -0.490 7.508 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.402 0.904 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.466 0.552 6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.477 0.859 4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.544 -0.564 4.988 1.00 0.00 H new ATOM 1086 N ASN A 74 -0.019 -3.145 6.478 1.00 0.00 N ATOM 1087 CA ASN A 74 1.033 -3.909 7.139 1.00 0.00 C ATOM 1088 C ASN A 74 2.092 -4.358 6.136 1.00 0.00 C ATOM 1089 O ASN A 74 3.276 -4.440 6.462 1.00 0.00 O ATOM 1090 CB ASN A 74 0.439 -5.126 7.850 1.00 0.00 C ATOM 1091 CG ASN A 74 -0.067 -4.794 9.240 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.080 -3.667 9.714 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -0.667 -5.776 9.902 1.00 0.00 N ATOM 0 H ASN A 74 -0.965 -3.469 6.679 1.00 0.00 H new ATOM 0 HA ASN A 74 1.508 -3.262 7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.381 -5.527 7.254 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.195 -5.908 7.919 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.028 -5.612 10.842 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.767 -6.695 9.471 1.00 0.00 H new ATOM 1100 N ALA A 75 1.656 -4.648 4.915 1.00 0.00 N ATOM 1101 CA ALA A 75 2.566 -5.086 3.863 1.00 0.00 C ATOM 1102 C ALA A 75 3.380 -3.917 3.319 1.00 0.00 C ATOM 1103 O ALA A 75 4.599 -3.868 3.483 1.00 0.00 O ATOM 1104 CB ALA A 75 1.790 -5.760 2.741 1.00 0.00 C ATOM 0 H ALA A 75 0.679 -4.588 4.629 1.00 0.00 H new ATOM 0 HA ALA A 75 3.260 -5.808 4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.482 -6.082 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.259 -6.626 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.073 -5.055 2.320 1.00 0.00 H new ATOM 1110 N ARG A 76 2.698 -2.978 2.671 1.00 0.00 N ATOM 1111 CA ARG A 76 3.359 -1.811 2.101 1.00 0.00 C ATOM 1112 C ARG A 76 4.290 -1.161 3.120 1.00 0.00 C ATOM 1113 O ARG A 76 5.512 -1.187 2.967 1.00 0.00 O ATOM 1114 CB ARG A 76 2.321 -0.794 1.622 1.00 0.00 C ATOM 1115 CG ARG A 76 2.923 0.532 1.186 1.00 0.00 C ATOM 1116 CD ARG A 76 1.978 1.691 1.464 1.00 0.00 C ATOM 1117 NE ARG A 76 2.600 2.983 1.186 1.00 0.00 N ATOM 1118 CZ ARG A 76 2.206 4.123 1.741 1.00 0.00 C ATOM 1119 NH1 ARG A 76 1.196 4.131 2.601 1.00 0.00 N ATOM 1120 NH2 ARG A 76 2.822 5.258 1.438 1.00 0.00 N ATOM 0 H ARG A 76 1.688 -3.003 2.528 1.00 0.00 H new ATOM 0 HA ARG A 76 3.954 -2.142 1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.764 -1.222 0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.606 -0.612 2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.865 0.695 1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.153 0.496 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.081 1.582 0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.661 1.658 2.506 1.00 0.00 H new ATOM 0 HE ARG A 76 3.380 3.011 0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.720 3.260 2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.895 5.008 3.026 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.600 5.256 0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.518 6.133 1.865 1.00 0.00 H new ATOM 1134 N THR A 77 3.705 -0.577 4.161 1.00 0.00 N ATOM 1135 CA THR A 77 4.481 0.080 5.205 1.00 0.00 C ATOM 1136 C THR A 77 5.710 -0.741 5.577 1.00 0.00 C ATOM 1137 O THR A 77 6.808 -0.204 5.715 1.00 0.00 O ATOM 1138 CB THR A 77 3.634 0.317 6.470 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.495 1.126 6.153 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.458 0.996 7.553 1.00 0.00 C ATOM 0 H THR A 77 2.695 -0.546 4.303 1.00 0.00 H new ATOM 0 HA THR A 77 4.799 1.042 4.803 1.00 0.00 H new ATOM 0 HB THR A 77 3.299 -0.651 6.843 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.757 0.551 5.861 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.839 1.153 8.436 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.308 0.365 7.813 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.818 1.957 7.187 1.00 0.00 H new ATOM 1148 N ALA A 78 5.517 -2.046 5.736 1.00 0.00 N ATOM 1149 CA ALA A 78 6.611 -2.942 6.089 1.00 0.00 C ATOM 1150 C ALA A 78 7.686 -2.949 5.008 1.00 0.00 C ATOM 1151 O ALA A 78 8.845 -2.621 5.267 1.00 0.00 O ATOM 1152 CB ALA A 78 6.086 -4.351 6.322 1.00 0.00 C ATOM 0 H ALA A 78 4.613 -2.506 5.626 1.00 0.00 H new ATOM 0 HA ALA A 78 7.062 -2.577 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.914 -5.009 6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.360 -4.339 7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.607 -4.716 5.413 1.00 0.00 H new ATOM 1158 N LEU A 79 7.296 -3.324 3.794 1.00 0.00 N ATOM 1159 CA LEU A 79 8.227 -3.374 2.672 1.00 0.00 C ATOM 1160 C LEU A 79 9.041 -2.087 2.582 1.00 0.00 C ATOM 1161 O LEU A 79 10.272 -2.117 2.584 1.00 0.00 O ATOM 1162 CB LEU A 79 7.468 -3.604 1.364 1.00 0.00 C ATOM 1163 CG LEU A 79 6.587 -4.852 1.310 1.00 0.00 C ATOM 1164 CD1 LEU A 79 5.554 -4.728 0.200 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.438 -6.098 1.113 1.00 0.00 C ATOM 0 H LEU A 79 6.341 -3.598 3.562 1.00 0.00 H new ATOM 0 HA LEU A 79 8.913 -4.205 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.841 -2.733 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.193 -3.660 0.552 1.00 0.00 H new ATOM 0 HG LEU A 79 6.060 -4.943 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.936 -5.625 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.924 -3.858 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.061 -4.612 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.794 -6.977 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.992 -6.016 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.138 -6.195 1.943 1.00 0.00 H new ATOM 1177 N LEU A 80 8.345 -0.958 2.507 1.00 0.00 N ATOM 1178 CA LEU A 80 9.003 0.341 2.419 1.00 0.00 C ATOM 1179 C LEU A 80 10.106 0.465 3.465 1.00 0.00 C ATOM 1180 O LEU A 80 11.261 0.735 3.137 1.00 0.00 O ATOM 1181 CB LEU A 80 7.982 1.465 2.601 1.00 0.00 C ATOM 1182 CG LEU A 80 6.749 1.405 1.699 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.658 2.325 2.225 1.00 0.00 C ATOM 1184 CD2 LEU A 80 7.115 1.772 0.269 1.00 0.00 C ATOM 0 H LEU A 80 7.326 -0.916 2.505 1.00 0.00 H new ATOM 0 HA LEU A 80 9.455 0.426 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.649 1.461 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.485 2.417 2.431 1.00 0.00 H new ATOM 0 HG LEU A 80 6.369 0.384 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.788 2.269 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.375 2.016 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.028 3.350 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.225 1.724 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.521 2.783 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.862 1.072 -0.106 1.00 0.00 H new ATOM 1196 N LYS A 81 9.742 0.265 4.727 1.00 0.00 N ATOM 1197 CA LYS A 81 10.700 0.350 5.823 1.00 0.00 C ATOM 1198 C LYS A 81 12.024 -0.303 5.441 1.00 0.00 C ATOM 1199 O LYS A 81 13.095 0.221 5.742 1.00 0.00 O ATOM 1200 CB LYS A 81 10.132 -0.318 7.077 1.00 0.00 C ATOM 1201 CG LYS A 81 9.148 0.553 7.839 1.00 0.00 C ATOM 1202 CD LYS A 81 9.159 0.238 9.325 1.00 0.00 C ATOM 1203 CE LYS A 81 7.801 0.499 9.959 1.00 0.00 C ATOM 1204 NZ LYS A 81 6.856 -0.630 9.731 1.00 0.00 N ATOM 0 H LYS A 81 8.790 0.043 5.016 1.00 0.00 H new ATOM 0 HA LYS A 81 10.883 1.404 6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.637 -1.246 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.955 -0.587 7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.397 1.603 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.144 0.403 7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.438 -0.805 9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.916 0.845 9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.925 0.658 11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.378 1.415 9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.900 -0.347 10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.847 -0.877 8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.160 -1.455 10.286 1.00 0.00 H new ATOM 1218 N ASN A 82 11.942 -1.450 4.774 1.00 0.00 N ATOM 1219 CA ASN A 82 13.134 -2.175 4.350 1.00 0.00 C ATOM 1220 C ASN A 82 13.779 -1.502 3.142 1.00 0.00 C ATOM 1221 O ASN A 82 15.002 -1.498 3.001 1.00 0.00 O ATOM 1222 CB ASN A 82 12.782 -3.625 4.012 1.00 0.00 C ATOM 1223 CG ASN A 82 12.780 -4.520 5.236 1.00 0.00 C ATOM 1224 OD1 ASN A 82 11.780 -5.170 5.542 1.00 0.00 O ATOM 1225 ND2 ASN A 82 13.904 -4.558 5.943 1.00 0.00 N ATOM 0 H ASN A 82 11.062 -1.897 4.516 1.00 0.00 H new ATOM 0 HA ASN A 82 13.847 -2.164 5.174 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.800 -3.657 3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 82 13.497 -4.010 3.285 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.963 -5.143 6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.708 -4.002 5.652 1.00 0.00 H new ATOM 1232 N ILE A 83 12.948 -0.933 2.276 1.00 0.00 N ATOM 1233 CA ILE A 83 13.437 -0.255 1.081 1.00 0.00 C ATOM 1234 C ILE A 83 14.115 1.064 1.436 1.00 0.00 C ATOM 1235 O ILE A 83 13.454 2.038 1.798 1.00 0.00 O ATOM 1236 CB ILE A 83 12.296 0.019 0.083 1.00 0.00 C ATOM 1237 CG1 ILE A 83 11.646 -1.294 -0.355 1.00 0.00 C ATOM 1238 CG2 ILE A 83 12.821 0.785 -1.122 1.00 0.00 C ATOM 1239 CD1 ILE A 83 10.266 -1.116 -0.950 1.00 0.00 C ATOM 0 H ILE A 83 11.933 -0.928 2.379 1.00 0.00 H new ATOM 0 HA ILE A 83 14.164 -0.920 0.615 1.00 0.00 H new ATOM 0 HB ILE A 83 11.539 0.629 0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.289 -1.782 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 83 11.579 -1.961 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.004 0.972 -1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 83 13.242 1.735 -0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.594 0.198 -1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.866 -2.088 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.608 -0.657 -0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.329 -0.474 -1.829 1.00 0.00 H new ATOM 1251 N LYS A 84 15.439 1.089 1.330 1.00 0.00 N ATOM 1252 CA LYS A 84 16.209 2.289 1.636 1.00 0.00 C ATOM 1253 C LYS A 84 16.889 2.834 0.384 1.00 0.00 C ATOM 1254 O LYS A 84 17.635 2.122 -0.288 1.00 0.00 O ATOM 1255 CB LYS A 84 17.258 1.987 2.709 1.00 0.00 C ATOM 1256 CG LYS A 84 16.672 1.811 4.099 1.00 0.00 C ATOM 1257 CD LYS A 84 16.502 3.145 4.806 1.00 0.00 C ATOM 1258 CE LYS A 84 15.394 3.087 5.847 1.00 0.00 C ATOM 1259 NZ LYS A 84 15.387 4.296 6.716 1.00 0.00 N ATOM 0 H LYS A 84 16.002 0.291 1.034 1.00 0.00 H new ATOM 0 HA LYS A 84 15.521 3.046 2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 84 17.797 1.081 2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 84 17.987 2.797 2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 84 15.706 1.311 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 84 17.322 1.165 4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 84 17.439 3.426 5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.275 3.920 4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.430 2.993 5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.521 2.197 6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.618 4.219 7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.297 4.372 7.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.240 5.143 6.131 1.00 0.00 H new ATOM 1273 N SER A 85 16.628 4.101 0.078 1.00 0.00 N ATOM 1274 CA SER A 85 17.213 4.740 -1.095 1.00 0.00 C ATOM 1275 C SER A 85 18.509 5.458 -0.732 1.00 0.00 C ATOM 1276 O SER A 85 19.582 5.116 -1.228 1.00 0.00 O ATOM 1277 CB SER A 85 16.223 5.731 -1.710 1.00 0.00 C ATOM 1278 OG SER A 85 15.123 5.055 -2.296 1.00 0.00 O ATOM 0 H SER A 85 16.015 4.705 0.626 1.00 0.00 H new ATOM 0 HA SER A 85 17.440 3.964 -1.826 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.865 6.417 -0.942 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.728 6.333 -2.465 1.00 0.00 H new ATOM 0 HG SER A 85 14.504 5.710 -2.681 1.00 0.00 H new ATOM 1284 N GLY A 86 18.401 6.457 0.139 1.00 0.00 N ATOM 1285 CA GLY A 86 19.571 7.209 0.554 1.00 0.00 C ATOM 1286 C GLY A 86 19.373 7.899 1.889 1.00 0.00 C ATOM 1287 O GLY A 86 19.002 9.072 1.956 1.00 0.00 O ATOM 0 H GLY A 86 17.524 6.759 0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 86 20.427 6.537 0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.808 7.954 -0.205 1.00 0.00 H new ATOM 1291 N PRO A 87 19.621 7.164 2.983 1.00 0.00 N ATOM 1292 CA PRO A 87 19.473 7.692 4.342 1.00 0.00 C ATOM 1293 C PRO A 87 20.537 8.731 4.679 1.00 0.00 C ATOM 1294 O PRO A 87 20.573 9.258 5.791 1.00 0.00 O ATOM 1295 CB PRO A 87 19.637 6.452 5.224 1.00 0.00 C ATOM 1296 CG PRO A 87 20.455 5.512 4.408 1.00 0.00 C ATOM 1297 CD PRO A 87 20.066 5.760 2.977 1.00 0.00 C ATOM 0 HA PRO A 87 18.521 8.206 4.479 1.00 0.00 H new ATOM 0 HB2 PRO A 87 20.134 6.697 6.163 1.00 0.00 H new ATOM 0 HB3 PRO A 87 18.671 6.017 5.479 1.00 0.00 H new ATOM 0 HG2 PRO A 87 21.520 5.689 4.559 1.00 0.00 H new ATOM 0 HG3 PRO A 87 20.260 4.478 4.692 1.00 0.00 H new ATOM 0 HD2 PRO A 87 20.907 5.608 2.300 1.00 0.00 H new ATOM 0 HD3 PRO A 87 19.271 5.088 2.654 1.00 0.00 H new ATOM 1305 N SER A 88 21.402 9.021 3.713 1.00 0.00 N ATOM 1306 CA SER A 88 22.469 9.995 3.909 1.00 0.00 C ATOM 1307 C SER A 88 22.007 11.133 4.814 1.00 0.00 C ATOM 1308 O SER A 88 22.696 11.504 5.764 1.00 0.00 O ATOM 1309 CB SER A 88 22.931 10.555 2.562 1.00 0.00 C ATOM 1310 OG SER A 88 23.274 9.512 1.666 1.00 0.00 O ATOM 0 H SER A 88 21.385 8.595 2.786 1.00 0.00 H new ATOM 0 HA SER A 88 23.306 9.488 4.390 1.00 0.00 H new ATOM 0 HB2 SER A 88 22.139 11.166 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 88 23.791 11.207 2.712 1.00 0.00 H new ATOM 0 HG SER A 88 23.564 9.896 0.812 1.00 0.00 H new ATOM 1316 N SER A 89 20.835 11.681 4.512 1.00 0.00 N ATOM 1317 CA SER A 89 20.280 12.780 5.296 1.00 0.00 C ATOM 1318 C SER A 89 19.602 12.258 6.558 1.00 0.00 C ATOM 1319 O SER A 89 19.134 11.121 6.601 1.00 0.00 O ATOM 1320 CB SER A 89 19.280 13.578 4.457 1.00 0.00 C ATOM 1321 OG SER A 89 18.586 14.522 5.254 1.00 0.00 O ATOM 0 H SER A 89 20.251 11.383 3.731 1.00 0.00 H new ATOM 0 HA SER A 89 21.100 13.435 5.590 1.00 0.00 H new ATOM 0 HB2 SER A 89 19.805 14.093 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.568 12.898 3.990 1.00 0.00 H new ATOM 0 HG SER A 89 17.954 15.021 4.695 1.00 0.00 H new ATOM 1327 N GLY A 90 19.552 13.099 7.587 1.00 0.00 N ATOM 1328 CA GLY A 90 18.929 12.706 8.837 1.00 0.00 C ATOM 1329 C GLY A 90 19.480 13.470 10.025 1.00 0.00 C ATOM 1330 O GLY A 90 19.474 14.701 10.036 1.00 0.00 O ATOM 0 H GLY A 90 19.932 14.046 7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.853 12.870 8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.079 11.638 8.994 1.00 0.00 H new TER 1334 GLY A 90