USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 609 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 27 CYS SG : rot -115:sc= -2.17 USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 16 SER OG : rot 71:sc= -0.273 USER MOD Set 2.2: A 50 LYS NZ :NH3+ -119:sc= 0.872 (180deg=-0.00279) 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 HIS : no HD1:sc= 0.00575 X(o=0.0057,f=-0.34) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -155:sc= -0.756 (180deg=-1.77) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= 0.0644 (180deg=0.00581) USER MOD Single : A 26 SER OG : rot -37:sc= 1.04 USER MOD Single : A 28 GLN : amide:sc= 0.479 X(o=0.48,f=0) USER MOD Single : A 39 TYR OH : rot 52:sc= 0.968 USER MOD Single : A 40 TYR OH : rot 50:sc= 1.23 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 0.967 (180deg=0.96) USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00324 USER MOD Single : A 52 THR OG1 : rot 159:sc= 0.452 USER MOD Single : A 56 SER OG : rot -120:sc= -0.0703 USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= 0.0587 (180deg=0.0222) USER MOD Single : A 71 SER OG : rot -50:sc= 0.179 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.080 -8.419 15.566 1.00 0.00 N ATOM 2 CA GLY A 1 26.485 -7.978 15.726 1.00 0.00 C ATOM 3 C GLY A 1 26.703 -6.586 15.156 1.00 0.00 C ATOM 4 O GLY A 1 26.092 -5.624 15.625 1.00 0.00 O ATOM 0 H1 GLY A 1 24.968 -9.372 15.966 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.450 -7.758 16.064 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.835 -8.436 14.556 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.751 -7.985 16.783 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.148 -8.684 15.226 1.00 0.00 H new ATOM 10 N SER A 2 27.566 -6.469 14.144 1.00 0.00 N ATOM 11 CA SER A 2 27.981 -5.195 13.518 1.00 0.00 C ATOM 12 C SER A 2 28.065 -5.241 11.969 1.00 0.00 C ATOM 13 O SER A 2 28.575 -4.311 11.334 1.00 0.00 O ATOM 14 CB SER A 2 29.322 -4.750 14.126 1.00 0.00 C ATOM 15 OG SER A 2 30.341 -5.716 13.909 1.00 0.00 O ATOM 0 H SER A 2 28.014 -7.280 13.718 1.00 0.00 H new ATOM 0 HA SER A 2 27.200 -4.467 13.735 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.623 -3.798 13.688 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.200 -4.584 15.196 1.00 0.00 H new ATOM 0 HG SER A 2 31.180 -5.401 14.306 1.00 0.00 H new ATOM 21 N HIS A 3 27.564 -6.315 11.349 1.00 0.00 N ATOM 22 CA HIS A 3 27.493 -6.495 9.891 1.00 0.00 C ATOM 23 C HIS A 3 26.605 -5.445 9.172 1.00 0.00 C ATOM 24 O HIS A 3 25.727 -4.825 9.780 1.00 0.00 O ATOM 25 CB HIS A 3 27.016 -7.926 9.594 1.00 0.00 C ATOM 26 CG HIS A 3 25.592 -8.209 10.023 1.00 0.00 C ATOM 27 ND1 HIS A 3 25.177 -8.505 11.328 1.00 0.00 N ATOM 28 CD2 HIS A 3 24.500 -8.208 9.203 1.00 0.00 C ATOM 29 CE1 HIS A 3 23.842 -8.673 11.260 1.00 0.00 C ATOM 30 NE2 HIS A 3 23.412 -8.504 9.999 1.00 0.00 N ATOM 0 H HIS A 3 27.184 -7.110 11.863 1.00 0.00 H new ATOM 0 HA HIS A 3 28.494 -6.337 9.489 1.00 0.00 H new ATOM 0 HB2 HIS A 3 27.104 -8.111 8.523 1.00 0.00 H new ATOM 0 HB3 HIS A 3 27.681 -8.630 10.095 1.00 0.00 H new ATOM 0 HD2 HIS A 3 24.490 -8.014 8.141 1.00 0.00 H new ATOM 0 HE1 HIS A 3 23.207 -8.910 12.101 1.00 0.00 H new ATOM 0 HE2 HIS A 3 22.445 -8.581 9.683 1.00 0.00 H new ATOM 38 N MET A 4 26.810 -5.292 7.859 1.00 0.00 N ATOM 39 CA MET A 4 26.098 -4.357 6.971 1.00 0.00 C ATOM 40 C MET A 4 25.763 -4.993 5.608 1.00 0.00 C ATOM 41 O MET A 4 26.360 -5.991 5.192 1.00 0.00 O ATOM 42 CB MET A 4 26.945 -3.085 6.759 1.00 0.00 C ATOM 43 CG MET A 4 27.047 -2.180 7.996 1.00 0.00 C ATOM 44 SD MET A 4 25.483 -1.404 8.504 1.00 0.00 S ATOM 45 CE MET A 4 26.043 -0.549 10.000 1.00 0.00 C ATOM 0 H MET A 4 27.510 -5.841 7.360 1.00 0.00 H new ATOM 0 HA MET A 4 25.156 -4.099 7.455 1.00 0.00 H new ATOM 0 HB2 MET A 4 27.950 -3.378 6.454 1.00 0.00 H new ATOM 0 HB3 MET A 4 26.517 -2.511 5.937 1.00 0.00 H new ATOM 0 HG2 MET A 4 27.432 -2.769 8.829 1.00 0.00 H new ATOM 0 HG3 MET A 4 27.777 -1.396 7.796 1.00 0.00 H new ATOM 0 HE1 MET A 4 25.206 -0.014 10.449 1.00 0.00 H new ATOM 0 HE2 MET A 4 26.431 -1.278 10.712 1.00 0.00 H new ATOM 0 HE3 MET A 4 26.829 0.160 9.741 1.00 0.00 H new ATOM 55 N LEU A 5 24.782 -4.408 4.917 1.00 0.00 N ATOM 56 CA LEU A 5 24.185 -4.950 3.689 1.00 0.00 C ATOM 57 C LEU A 5 25.023 -4.732 2.406 1.00 0.00 C ATOM 58 O LEU A 5 24.744 -5.362 1.383 1.00 0.00 O ATOM 59 CB LEU A 5 22.797 -4.333 3.523 1.00 0.00 C ATOM 60 CG LEU A 5 21.844 -4.631 4.697 1.00 0.00 C ATOM 61 CD1 LEU A 5 20.449 -4.253 4.247 1.00 0.00 C ATOM 62 CD2 LEU A 5 21.790 -6.096 5.143 1.00 0.00 C ATOM 0 H LEU A 5 24.368 -3.520 5.202 1.00 0.00 H new ATOM 0 HA LEU A 5 24.138 -6.032 3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 5 22.899 -3.253 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 5 22.351 -4.705 2.601 1.00 0.00 H new ATOM 0 HG LEU A 5 22.219 -4.063 5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 5 19.741 -4.449 5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 5 20.424 -3.194 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 5 20.176 -4.844 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 5 21.091 -6.198 5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 5 21.458 -6.718 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 5 22.782 -6.416 5.462 1.00 0.00 H new ATOM 74 N LEU A 6 26.003 -3.815 2.435 1.00 0.00 N ATOM 75 CA LEU A 6 26.793 -3.271 1.303 1.00 0.00 C ATOM 76 C LEU A 6 25.977 -2.558 0.185 1.00 0.00 C ATOM 77 O LEU A 6 26.514 -1.720 -0.543 1.00 0.00 O ATOM 78 CB LEU A 6 27.753 -4.366 0.790 1.00 0.00 C ATOM 79 CG LEU A 6 28.825 -3.911 -0.216 1.00 0.00 C ATOM 80 CD1 LEU A 6 29.753 -2.835 0.344 1.00 0.00 C ATOM 81 CD2 LEU A 6 29.684 -5.108 -0.630 1.00 0.00 C ATOM 0 H LEU A 6 26.292 -3.397 3.319 1.00 0.00 H new ATOM 0 HA LEU A 6 27.379 -2.438 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 6 28.256 -4.811 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 6 27.159 -5.153 0.325 1.00 0.00 H new ATOM 0 HG LEU A 6 28.290 -3.488 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 6 30.486 -2.557 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 6 29.168 -1.958 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.268 -3.221 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 6 30.442 -4.783 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 6 30.170 -5.529 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 6 29.053 -5.866 -1.093 1.00 0.00 H new ATOM 93 N GLU A 7 24.663 -2.800 0.117 1.00 0.00 N ATOM 94 CA GLU A 7 23.648 -2.176 -0.763 1.00 0.00 C ATOM 95 C GLU A 7 22.438 -1.756 0.083 1.00 0.00 C ATOM 96 O GLU A 7 21.363 -2.355 0.048 1.00 0.00 O ATOM 97 CB GLU A 7 23.241 -3.114 -1.913 1.00 0.00 C ATOM 98 CG GLU A 7 24.419 -3.448 -2.826 1.00 0.00 C ATOM 99 CD GLU A 7 23.941 -4.272 -4.013 1.00 0.00 C ATOM 100 OE1 GLU A 7 23.839 -5.511 -3.877 1.00 0.00 O ATOM 101 OE2 GLU A 7 23.691 -3.686 -5.090 1.00 0.00 O ATOM 0 H GLU A 7 24.237 -3.498 0.727 1.00 0.00 H new ATOM 0 HA GLU A 7 24.078 -1.289 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 7 22.830 -4.035 -1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 7 22.450 -2.646 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 7 24.890 -2.530 -3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 7 25.175 -4.002 -2.270 1.00 0.00 H new ATOM 108 N PHE A 8 22.683 -0.788 0.967 1.00 0.00 N ATOM 109 CA PHE A 8 21.829 -0.455 2.123 1.00 0.00 C ATOM 110 C PHE A 8 20.352 -0.120 1.803 1.00 0.00 C ATOM 111 O PHE A 8 19.482 -0.366 2.635 1.00 0.00 O ATOM 112 CB PHE A 8 22.467 0.695 2.917 1.00 0.00 C ATOM 113 CG PHE A 8 22.401 2.055 2.238 1.00 0.00 C ATOM 114 CD1 PHE A 8 23.410 2.453 1.339 1.00 0.00 C ATOM 115 CD2 PHE A 8 21.313 2.917 2.482 1.00 0.00 C ATOM 116 CE1 PHE A 8 23.324 3.695 0.683 1.00 0.00 C ATOM 117 CE2 PHE A 8 21.227 4.159 1.822 1.00 0.00 C ATOM 118 CZ PHE A 8 22.226 4.540 0.911 1.00 0.00 C ATOM 0 H PHE A 8 23.507 -0.191 0.902 1.00 0.00 H new ATOM 0 HA PHE A 8 21.779 -1.372 2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 8 21.974 0.765 3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 8 23.512 0.450 3.107 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.252 1.803 1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 8 20.541 2.624 3.178 1.00 0.00 H new ATOM 0 HE1 PHE A 8 24.105 3.999 0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 8 20.393 4.818 2.016 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.150 5.481 0.387 1.00 0.00 H new ATOM 128 N LYS A 9 20.054 0.425 0.618 1.00 0.00 N ATOM 129 CA LYS A 9 18.717 0.893 0.204 1.00 0.00 C ATOM 130 C LYS A 9 17.633 -0.214 0.118 1.00 0.00 C ATOM 131 O LYS A 9 16.442 0.038 0.275 1.00 0.00 O ATOM 132 CB LYS A 9 18.875 1.643 -1.134 1.00 0.00 C ATOM 133 CG LYS A 9 17.606 2.413 -1.547 1.00 0.00 C ATOM 134 CD LYS A 9 17.810 3.281 -2.802 1.00 0.00 C ATOM 135 CE LYS A 9 18.034 2.443 -4.070 1.00 0.00 C ATOM 136 NZ LYS A 9 18.225 3.298 -5.260 1.00 0.00 N ATOM 0 H LYS A 9 20.758 0.559 -0.108 1.00 0.00 H new ATOM 0 HA LYS A 9 18.341 1.554 0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 9 19.708 2.342 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 9 19.130 0.929 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.800 1.702 -1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.288 3.048 -0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.938 3.920 -2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.666 3.938 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.907 1.805 -3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.180 1.785 -4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.373 2.699 -6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.381 3.889 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.055 3.908 -5.119 1.00 0.00 H new ATOM 150 N GLN A 10 18.029 -1.439 -0.213 1.00 0.00 N ATOM 151 CA GLN A 10 17.182 -2.513 -0.766 1.00 0.00 C ATOM 152 C GLN A 10 16.054 -3.031 0.115 1.00 0.00 C ATOM 153 O GLN A 10 14.983 -3.409 -0.365 1.00 0.00 O ATOM 154 CB GLN A 10 18.076 -3.703 -1.144 1.00 0.00 C ATOM 155 CG GLN A 10 18.253 -3.780 -2.648 1.00 0.00 C ATOM 156 CD GLN A 10 18.923 -2.579 -3.291 1.00 0.00 C ATOM 157 OE1 GLN A 10 19.746 -1.886 -2.708 1.00 0.00 O ATOM 158 NE2 GLN A 10 18.576 -2.296 -4.527 1.00 0.00 N ATOM 0 H GLN A 10 18.999 -1.734 -0.100 1.00 0.00 H new ATOM 0 HA GLN A 10 16.683 -2.048 -1.616 1.00 0.00 H new ATOM 0 HB2 GLN A 10 19.049 -3.602 -0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.633 -4.629 -0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 10 18.839 -4.669 -2.882 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.273 -3.915 -3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 10 17.890 -2.876 -5.010 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.993 -1.496 -5.003 1.00 0.00 H new ATOM 167 N PHE A 11 16.264 -2.914 1.415 1.00 0.00 N ATOM 168 CA PHE A 11 15.266 -3.243 2.429 1.00 0.00 C ATOM 169 C PHE A 11 13.984 -2.414 2.242 1.00 0.00 C ATOM 170 O PHE A 11 12.890 -2.913 2.495 1.00 0.00 O ATOM 171 CB PHE A 11 15.840 -3.080 3.843 1.00 0.00 C ATOM 172 CG PHE A 11 16.028 -1.669 4.400 1.00 0.00 C ATOM 173 CD1 PHE A 11 16.675 -0.678 3.640 1.00 0.00 C ATOM 174 CD2 PHE A 11 15.613 -1.356 5.712 1.00 0.00 C ATOM 175 CE1 PHE A 11 16.907 0.602 4.157 1.00 0.00 C ATOM 176 CE2 PHE A 11 15.856 -0.073 6.243 1.00 0.00 C ATOM 177 CZ PHE A 11 16.515 0.906 5.472 1.00 0.00 C ATOM 0 H PHE A 11 17.146 -2.583 1.806 1.00 0.00 H new ATOM 0 HA PHE A 11 14.996 -4.291 2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 11 15.189 -3.622 4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.810 -3.576 3.865 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.000 -0.910 2.636 1.00 0.00 H new ATOM 0 HD2 PHE A 11 15.109 -2.100 6.310 1.00 0.00 H new ATOM 0 HE1 PHE A 11 17.386 1.354 3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.535 0.161 7.247 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.717 1.882 5.888 1.00 0.00 H new ATOM 187 N LEU A 12 14.115 -1.173 1.760 1.00 0.00 N ATOM 188 CA LEU A 12 12.997 -0.279 1.475 1.00 0.00 C ATOM 189 C LEU A 12 12.240 -0.571 0.174 1.00 0.00 C ATOM 190 O LEU A 12 11.106 -0.137 -0.024 1.00 0.00 O ATOM 191 CB LEU A 12 13.480 1.167 1.478 1.00 0.00 C ATOM 192 CG LEU A 12 12.859 1.900 2.667 1.00 0.00 C ATOM 193 CD1 LEU A 12 13.772 1.758 3.869 1.00 0.00 C ATOM 194 CD2 LEU A 12 12.608 3.316 2.212 1.00 0.00 C ATOM 0 H LEU A 12 15.023 -0.757 1.554 1.00 0.00 H new ATOM 0 HA LEU A 12 12.276 -0.457 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.568 1.200 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.201 1.658 0.546 1.00 0.00 H new ATOM 0 HG LEU A 12 11.905 1.486 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 12 13.335 2.279 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.893 0.702 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 12 14.746 2.191 3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.163 3.887 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.552 3.777 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.928 3.309 1.360 1.00 0.00 H new ATOM 206 N TYR A 13 12.918 -1.247 -0.730 1.00 0.00 N ATOM 207 CA TYR A 13 12.488 -1.547 -2.096 1.00 0.00 C ATOM 208 C TYR A 13 11.832 -2.942 -2.214 1.00 0.00 C ATOM 209 O TYR A 13 11.011 -3.163 -3.110 1.00 0.00 O ATOM 210 CB TYR A 13 13.701 -1.319 -3.013 1.00 0.00 C ATOM 211 CG TYR A 13 13.923 0.153 -3.350 1.00 0.00 C ATOM 212 CD1 TYR A 13 14.105 1.102 -2.324 1.00 0.00 C ATOM 213 CD2 TYR A 13 13.869 0.602 -4.685 1.00 0.00 C ATOM 214 CE1 TYR A 13 14.133 2.473 -2.601 1.00 0.00 C ATOM 215 CE2 TYR A 13 13.982 1.977 -4.971 1.00 0.00 C ATOM 216 CZ TYR A 13 14.110 2.916 -3.931 1.00 0.00 C ATOM 217 OH TYR A 13 14.179 4.248 -4.198 1.00 0.00 O ATOM 0 H TYR A 13 13.842 -1.629 -0.526 1.00 0.00 H new ATOM 0 HA TYR A 13 11.687 -0.879 -2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.595 -1.715 -2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 13 13.563 -1.881 -3.937 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.225 0.765 -1.305 1.00 0.00 H new ATOM 0 HD2 TYR A 13 13.741 -0.108 -5.489 1.00 0.00 H new ATOM 0 HE1 TYR A 13 14.172 3.188 -1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.970 2.313 -5.997 1.00 0.00 H new ATOM 0 HH TYR A 13 14.153 4.389 -5.167 1.00 0.00 H new ATOM 227 N GLU A 14 12.067 -3.835 -1.235 1.00 0.00 N ATOM 228 CA GLU A 14 11.175 -4.972 -0.889 1.00 0.00 C ATOM 229 C GLU A 14 9.932 -4.548 -0.103 1.00 0.00 C ATOM 230 O GLU A 14 8.854 -5.117 -0.266 1.00 0.00 O ATOM 231 CB GLU A 14 11.882 -6.026 -0.039 1.00 0.00 C ATOM 232 CG GLU A 14 13.176 -6.537 -0.653 1.00 0.00 C ATOM 233 CD GLU A 14 13.753 -7.651 0.209 1.00 0.00 C ATOM 234 OE1 GLU A 14 14.501 -7.345 1.166 1.00 0.00 O ATOM 235 OE2 GLU A 14 13.467 -8.832 -0.079 1.00 0.00 O ATOM 0 H GLU A 14 12.899 -3.791 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 14 10.885 -5.379 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.097 -5.604 0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.207 -6.867 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.990 -6.905 -1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.895 -5.722 -0.739 1.00 0.00 H new ATOM 242 N ALA A 15 10.088 -3.523 0.737 1.00 0.00 N ATOM 243 CA ALA A 15 9.120 -3.072 1.747 1.00 0.00 C ATOM 244 C ALA A 15 7.761 -2.687 1.150 1.00 0.00 C ATOM 245 O ALA A 15 6.688 -2.914 1.718 1.00 0.00 O ATOM 246 CB ALA A 15 9.659 -1.787 2.382 1.00 0.00 C ATOM 0 H ALA A 15 10.935 -2.954 0.734 1.00 0.00 H new ATOM 0 HA ALA A 15 8.989 -3.899 2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.957 -1.432 3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.623 -1.989 2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.781 -1.025 1.613 1.00 0.00 H new ATOM 252 N SER A 16 7.867 -2.033 -0.004 1.00 0.00 N ATOM 253 CA SER A 16 6.857 -1.231 -0.681 1.00 0.00 C ATOM 254 C SER A 16 5.559 -1.999 -1.031 1.00 0.00 C ATOM 255 O SER A 16 4.487 -1.413 -1.206 1.00 0.00 O ATOM 256 CB SER A 16 7.572 -0.750 -1.949 1.00 0.00 C ATOM 257 OG SER A 16 8.398 0.373 -1.715 1.00 0.00 O ATOM 0 H SER A 16 8.739 -2.054 -0.533 1.00 0.00 H new ATOM 0 HA SER A 16 6.504 -0.427 -0.035 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.176 -1.563 -2.351 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.830 -0.499 -2.707 1.00 0.00 H new ATOM 0 HG SER A 16 9.182 0.099 -1.195 1.00 0.00 H new ATOM 263 N ILE A 17 5.667 -3.326 -1.152 1.00 0.00 N ATOM 264 CA ILE A 17 4.687 -4.253 -1.759 1.00 0.00 C ATOM 265 C ILE A 17 4.356 -5.450 -0.813 1.00 0.00 C ATOM 266 O ILE A 17 3.470 -6.266 -1.080 1.00 0.00 O ATOM 267 CB ILE A 17 5.298 -4.678 -3.129 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.931 -3.680 -4.257 1.00 0.00 C ATOM 269 CG2 ILE A 17 4.910 -6.083 -3.633 1.00 0.00 C ATOM 270 CD1 ILE A 17 5.701 -2.359 -4.226 1.00 0.00 C ATOM 0 H ILE A 17 6.491 -3.820 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 17 3.719 -3.779 -1.917 1.00 0.00 H new ATOM 0 HB ILE A 17 6.367 -4.685 -2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.105 -4.162 -5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.864 -3.463 -4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.392 -6.271 -4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.236 -6.831 -2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.828 -6.141 -3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.375 -1.728 -5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.509 -1.848 -3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.769 -2.558 -4.320 1.00 0.00 H new ATOM 282 N ASP A 18 5.049 -5.532 0.330 1.00 0.00 N ATOM 283 CA ASP A 18 5.123 -6.703 1.233 1.00 0.00 C ATOM 284 C ASP A 18 3.876 -6.885 2.106 1.00 0.00 C ATOM 285 O ASP A 18 3.538 -8.009 2.490 1.00 0.00 O ATOM 286 CB ASP A 18 6.371 -6.567 2.127 1.00 0.00 C ATOM 287 CG ASP A 18 6.631 -7.806 3.010 1.00 0.00 C ATOM 288 OD1 ASP A 18 6.972 -8.886 2.460 1.00 0.00 O ATOM 289 OD2 ASP A 18 6.516 -7.697 4.255 1.00 0.00 O ATOM 0 H ASP A 18 5.603 -4.748 0.673 1.00 0.00 H new ATOM 0 HA ASP A 18 5.186 -7.590 0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.243 -6.390 1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.257 -5.692 2.767 1.00 0.00 H new ATOM 294 N GLU A 19 3.162 -5.779 2.351 1.00 0.00 N ATOM 295 CA GLU A 19 1.893 -5.735 3.101 1.00 0.00 C ATOM 296 C GLU A 19 0.799 -5.040 2.310 1.00 0.00 C ATOM 297 O GLU A 19 -0.225 -5.661 2.041 1.00 0.00 O ATOM 298 CB GLU A 19 2.062 -5.040 4.458 1.00 0.00 C ATOM 299 CG GLU A 19 2.978 -5.803 5.411 1.00 0.00 C ATOM 300 CD GLU A 19 3.038 -5.095 6.757 1.00 0.00 C ATOM 301 OE1 GLU A 19 3.911 -4.217 6.926 1.00 0.00 O ATOM 302 OE2 GLU A 19 2.221 -5.423 7.643 1.00 0.00 O ATOM 0 H GLU A 19 3.458 -4.859 2.024 1.00 0.00 H new ATOM 0 HA GLU A 19 1.599 -6.771 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.465 -4.040 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.083 -4.920 4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.612 -6.821 5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.979 -5.877 4.985 1.00 0.00 H new ATOM 309 N PHE A 20 1.015 -3.793 1.867 1.00 0.00 N ATOM 310 CA PHE A 20 -0.046 -2.941 1.315 1.00 0.00 C ATOM 311 C PHE A 20 -0.746 -3.590 0.127 1.00 0.00 C ATOM 312 O PHE A 20 -1.949 -3.708 0.137 1.00 0.00 O ATOM 313 CB PHE A 20 0.524 -1.611 0.779 1.00 0.00 C ATOM 314 CG PHE A 20 1.190 -0.687 1.773 1.00 0.00 C ATOM 315 CD1 PHE A 20 2.513 -0.930 2.186 1.00 0.00 C ATOM 316 CD2 PHE A 20 0.525 0.476 2.204 1.00 0.00 C ATOM 317 CE1 PHE A 20 3.160 -0.025 3.038 1.00 0.00 C ATOM 318 CE2 PHE A 20 1.185 1.395 3.040 1.00 0.00 C ATOM 319 CZ PHE A 20 2.500 1.140 3.462 1.00 0.00 C ATOM 0 H PHE A 20 1.932 -3.347 1.882 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.741 -2.783 2.140 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.249 -1.845 -0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.290 -1.063 0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.030 -1.815 1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.492 0.663 1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.168 -0.224 3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.681 2.296 3.357 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.004 1.840 4.113 1.00 0.00 H new ATOM 329 N MET A 21 -0.034 -4.115 -0.856 1.00 0.00 N ATOM 330 CA MET A 21 -0.617 -4.601 -2.124 1.00 0.00 C ATOM 331 C MET A 21 -1.655 -5.689 -1.907 1.00 0.00 C ATOM 332 O MET A 21 -2.701 -5.698 -2.554 1.00 0.00 O ATOM 333 CB MET A 21 0.497 -5.237 -2.964 1.00 0.00 C ATOM 334 CG MET A 21 1.270 -4.215 -3.771 1.00 0.00 C ATOM 335 SD MET A 21 0.392 -3.401 -5.127 1.00 0.00 S ATOM 336 CE MET A 21 -0.558 -4.764 -5.872 1.00 0.00 C ATOM 0 H MET A 21 0.979 -4.223 -0.809 1.00 0.00 H new ATOM 0 HA MET A 21 -1.085 -3.744 -2.608 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.183 -5.771 -2.307 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.063 -5.975 -3.639 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.627 -3.444 -3.088 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.151 -4.706 -4.185 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.768 -4.533 -6.916 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.021 -5.686 -5.814 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.497 -4.891 -5.332 1.00 0.00 H new ATOM 346 N GLY A 22 -1.416 -6.554 -0.930 1.00 0.00 N ATOM 347 CA GLY A 22 -2.420 -7.511 -0.480 1.00 0.00 C ATOM 348 C GLY A 22 -3.526 -6.849 0.319 1.00 0.00 C ATOM 349 O GLY A 22 -4.692 -7.202 0.185 1.00 0.00 O ATOM 0 H GLY A 22 -0.529 -6.613 -0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.851 -8.016 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.942 -8.277 0.131 1.00 0.00 H new ATOM 353 N LYS A 23 -3.178 -5.879 1.156 1.00 0.00 N ATOM 354 CA LYS A 23 -4.092 -5.187 2.024 1.00 0.00 C ATOM 355 C LYS A 23 -5.136 -4.422 1.231 1.00 0.00 C ATOM 356 O LYS A 23 -6.303 -4.475 1.584 1.00 0.00 O ATOM 357 CB LYS A 23 -3.267 -4.433 3.080 1.00 0.00 C ATOM 358 CG LYS A 23 -3.331 -2.934 2.970 1.00 0.00 C ATOM 359 CD LYS A 23 -2.557 -2.259 4.109 1.00 0.00 C ATOM 360 CE LYS A 23 -3.274 -2.453 5.445 1.00 0.00 C ATOM 361 NZ LYS A 23 -2.468 -2.009 6.608 1.00 0.00 N ATOM 0 H LYS A 23 -2.217 -5.550 1.244 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.727 -5.860 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.614 -4.727 4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.226 -4.746 3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.919 -2.620 2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.371 -2.610 2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.551 -2.675 4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.450 -1.195 3.900 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.214 -1.901 5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.525 -3.507 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.098 -1.810 7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.797 -2.758 6.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.943 -1.147 6.358 1.00 0.00 H new ATOM 375 N ILE A 24 -4.725 -3.737 0.165 1.00 0.00 N ATOM 376 CA ILE A 24 -5.612 -3.136 -0.812 1.00 0.00 C ATOM 377 C ILE A 24 -6.342 -4.108 -1.744 1.00 0.00 C ATOM 378 O ILE A 24 -7.570 -4.077 -1.826 1.00 0.00 O ATOM 379 CB ILE A 24 -4.851 -2.067 -1.601 1.00 0.00 C ATOM 380 CG1 ILE A 24 -3.398 -2.276 -1.972 1.00 0.00 C ATOM 381 CG2 ILE A 24 -4.947 -0.754 -0.830 1.00 0.00 C ATOM 382 CD1 ILE A 24 -2.937 -1.461 -3.126 1.00 0.00 C ATOM 0 H ILE A 24 -3.738 -3.584 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.421 -2.687 -0.236 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.350 -2.097 -2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.777 -2.043 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.242 -3.330 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.412 0.026 -1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.994 -0.470 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.504 -0.879 0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.886 -1.672 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.529 -1.710 -4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.057 -0.403 -2.895 1.00 0.00 H new ATOM 394 N ALA A 25 -5.610 -4.981 -2.440 1.00 0.00 N ATOM 395 CA ALA A 25 -6.185 -5.852 -3.474 1.00 0.00 C ATOM 396 C ALA A 25 -7.071 -6.960 -2.880 1.00 0.00 C ATOM 397 O ALA A 25 -7.961 -7.482 -3.559 1.00 0.00 O ATOM 398 CB ALA A 25 -5.074 -6.442 -4.339 1.00 0.00 C ATOM 0 H ALA A 25 -4.607 -5.106 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.834 -5.238 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.510 -7.086 -5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.519 -5.636 -4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.398 -7.026 -3.715 1.00 0.00 H new ATOM 404 N SER A 26 -6.850 -7.272 -1.604 1.00 0.00 N ATOM 405 CA SER A 26 -7.642 -8.180 -0.778 1.00 0.00 C ATOM 406 C SER A 26 -8.438 -7.467 0.333 1.00 0.00 C ATOM 407 O SER A 26 -8.925 -8.116 1.262 1.00 0.00 O ATOM 408 CB SER A 26 -6.826 -9.386 -0.286 1.00 0.00 C ATOM 409 OG SER A 26 -7.696 -10.302 0.354 1.00 0.00 O ATOM 0 H SER A 26 -6.065 -6.873 -1.089 1.00 0.00 H new ATOM 0 HA SER A 26 -8.409 -8.593 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.323 -9.868 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.050 -9.058 0.405 1.00 0.00 H new ATOM 0 HG SER A 26 -8.377 -9.809 0.858 1.00 0.00 H new ATOM 415 N CYS A 27 -8.553 -6.138 0.300 1.00 0.00 N ATOM 416 CA CYS A 27 -9.277 -5.402 1.331 1.00 0.00 C ATOM 417 C CYS A 27 -10.754 -5.860 1.521 1.00 0.00 C ATOM 418 O CYS A 27 -11.311 -5.772 2.616 1.00 0.00 O ATOM 419 CB CYS A 27 -9.234 -3.928 0.950 1.00 0.00 C ATOM 420 SG CYS A 27 -10.032 -2.982 2.251 1.00 0.00 S ATOM 0 H CYS A 27 -8.152 -5.551 -0.432 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.792 -5.596 2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -8.203 -3.600 0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -9.741 -3.767 -0.001 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.109 -2.424 1.784 1.00 0.00 H new ATOM 426 N GLN A 28 -11.400 -6.316 0.437 1.00 0.00 N ATOM 427 CA GLN A 28 -12.793 -6.827 0.352 1.00 0.00 C ATOM 428 C GLN A 28 -13.885 -5.743 0.449 1.00 0.00 C ATOM 429 O GLN A 28 -15.076 -6.035 0.321 1.00 0.00 O ATOM 430 CB GLN A 28 -13.102 -7.918 1.398 1.00 0.00 C ATOM 431 CG GLN A 28 -12.173 -9.130 1.352 1.00 0.00 C ATOM 432 CD GLN A 28 -11.889 -9.615 2.754 1.00 0.00 C ATOM 433 OE1 GLN A 28 -12.672 -10.334 3.364 1.00 0.00 O ATOM 434 NE2 GLN A 28 -10.785 -9.173 3.322 1.00 0.00 N ATOM 0 H GLN A 28 -10.938 -6.343 -0.472 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.829 -7.254 -0.650 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.049 -7.474 2.392 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.128 -8.258 1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.631 -9.928 0.768 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.240 -8.865 0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.146 -8.576 2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.570 -9.428 4.286 1.00 0.00 H new ATOM 443 N THR A 29 -13.493 -4.489 0.679 1.00 0.00 N ATOM 444 CA THR A 29 -14.390 -3.354 0.890 1.00 0.00 C ATOM 445 C THR A 29 -13.717 -2.116 0.343 1.00 0.00 C ATOM 446 O THR A 29 -12.520 -1.904 0.535 1.00 0.00 O ATOM 447 CB THR A 29 -14.657 -3.109 2.376 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.458 -3.114 3.135 1.00 0.00 O ATOM 449 CG2 THR A 29 -15.592 -4.143 2.987 1.00 0.00 C ATOM 0 H THR A 29 -12.508 -4.228 0.725 1.00 0.00 H new ATOM 0 HA THR A 29 -15.335 -3.571 0.393 1.00 0.00 H new ATOM 0 HB THR A 29 -15.129 -2.127 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.668 -2.953 4.079 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.744 -3.917 4.042 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.551 -4.118 2.469 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.152 -5.135 2.888 1.00 0.00 H new ATOM 457 N LEU A 30 -14.468 -1.264 -0.353 1.00 0.00 N ATOM 458 CA LEU A 30 -13.854 -0.044 -0.849 1.00 0.00 C ATOM 459 C LEU A 30 -13.575 0.906 0.292 1.00 0.00 C ATOM 460 O LEU A 30 -12.621 1.656 0.324 1.00 0.00 O ATOM 461 CB LEU A 30 -14.760 0.694 -1.806 1.00 0.00 C ATOM 462 CG LEU A 30 -13.799 1.662 -2.508 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.568 1.320 -3.921 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.319 3.043 -2.434 1.00 0.00 C ATOM 0 H LEU A 30 -15.455 -1.389 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.938 -0.348 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.239 0.017 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.556 1.223 -1.282 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.847 1.579 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.880 2.041 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.138 0.321 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.515 1.344 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.627 3.720 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.293 3.092 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.421 3.338 -1.390 1.00 0.00 H new ATOM 476 N GLU A 31 -14.474 0.846 1.233 1.00 0.00 N ATOM 477 CA GLU A 31 -14.484 1.608 2.431 1.00 0.00 C ATOM 478 C GLU A 31 -13.233 1.348 3.245 1.00 0.00 C ATOM 479 O GLU A 31 -12.671 2.266 3.822 1.00 0.00 O ATOM 480 CB GLU A 31 -15.753 1.131 3.130 1.00 0.00 C ATOM 481 CG GLU A 31 -16.226 2.156 4.102 1.00 0.00 C ATOM 482 CD GLU A 31 -17.392 1.640 4.932 1.00 0.00 C ATOM 483 OE1 GLU A 31 -18.554 1.812 4.502 1.00 0.00 O ATOM 484 OE2 GLU A 31 -17.139 1.087 6.026 1.00 0.00 O ATOM 0 H GLU A 31 -15.273 0.215 1.170 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.485 2.686 2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.531 0.934 2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.560 0.191 3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.406 2.440 4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.529 3.055 3.566 1.00 0.00 H new ATOM 491 N GLY A 32 -12.755 0.102 3.211 1.00 0.00 N ATOM 492 CA GLY A 32 -11.422 -0.264 3.660 1.00 0.00 C ATOM 493 C GLY A 32 -10.276 0.164 2.757 1.00 0.00 C ATOM 494 O GLY A 32 -9.286 0.679 3.240 1.00 0.00 O ATOM 0 H GLY A 32 -13.297 -0.689 2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.261 0.168 4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.383 -1.347 3.775 1.00 0.00 H new ATOM 498 N LEU A 33 -10.405 0.040 1.452 1.00 0.00 N ATOM 499 CA LEU A 33 -9.397 0.441 0.467 1.00 0.00 C ATOM 500 C LEU A 33 -9.059 1.917 0.565 1.00 0.00 C ATOM 501 O LEU A 33 -7.911 2.309 0.499 1.00 0.00 O ATOM 502 CB LEU A 33 -10.037 0.139 -0.883 1.00 0.00 C ATOM 503 CG LEU A 33 -9.228 0.605 -2.096 1.00 0.00 C ATOM 504 CD1 LEU A 33 -7.777 0.229 -2.087 1.00 0.00 C ATOM 505 CD2 LEU A 33 -9.782 -0.030 -3.327 1.00 0.00 C ATOM 0 H LEU A 33 -11.241 -0.356 1.023 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.458 -0.090 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.196 -0.937 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.020 0.610 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.303 1.692 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.298 0.607 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.294 0.662 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.683 -0.856 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.210 0.298 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.716 -1.114 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.825 0.262 -3.449 1.00 0.00 H new ATOM 517 N GLU A 34 -10.098 2.698 0.758 1.00 0.00 N ATOM 518 CA GLU A 34 -10.170 4.114 1.088 1.00 0.00 C ATOM 519 C GLU A 34 -9.616 4.482 2.474 1.00 0.00 C ATOM 520 O GLU A 34 -9.058 5.562 2.656 1.00 0.00 O ATOM 521 CB GLU A 34 -11.637 4.494 1.073 1.00 0.00 C ATOM 522 CG GLU A 34 -12.190 4.712 -0.331 1.00 0.00 C ATOM 523 CD GLU A 34 -11.790 6.072 -0.887 1.00 0.00 C ATOM 524 OE1 GLU A 34 -10.607 6.251 -1.247 1.00 0.00 O ATOM 525 OE2 GLU A 34 -12.660 6.964 -0.992 1.00 0.00 O ATOM 0 H GLU A 34 -11.037 2.308 0.678 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.557 4.644 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.213 3.710 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.775 5.405 1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.825 3.926 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.277 4.632 -0.311 1.00 0.00 H new ATOM 532 N GLU A 35 -9.757 3.590 3.459 1.00 0.00 N ATOM 533 CA GLU A 35 -9.132 3.701 4.801 1.00 0.00 C ATOM 534 C GLU A 35 -7.647 3.418 4.723 1.00 0.00 C ATOM 535 O GLU A 35 -6.849 4.162 5.277 1.00 0.00 O ATOM 536 CB GLU A 35 -9.691 2.724 5.848 1.00 0.00 C ATOM 537 CG GLU A 35 -11.088 3.078 6.315 1.00 0.00 C ATOM 538 CD GLU A 35 -11.058 3.921 7.582 1.00 0.00 C ATOM 539 OE1 GLU A 35 -11.018 3.330 8.684 1.00 0.00 O ATOM 540 OE2 GLU A 35 -11.072 5.167 7.479 1.00 0.00 O ATOM 0 H GLU A 35 -10.321 2.746 3.353 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.355 4.721 5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.700 1.718 5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.022 2.703 6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.609 3.622 5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.653 2.164 6.498 1.00 0.00 H new ATOM 547 N LEU A 36 -7.276 2.388 3.967 1.00 0.00 N ATOM 548 CA LEU A 36 -5.924 2.089 3.540 1.00 0.00 C ATOM 549 C LEU A 36 -5.353 3.215 2.680 1.00 0.00 C ATOM 550 O LEU A 36 -4.186 3.545 2.827 1.00 0.00 O ATOM 551 CB LEU A 36 -5.818 0.738 2.841 1.00 0.00 C ATOM 552 CG LEU A 36 -6.083 -0.476 3.747 1.00 0.00 C ATOM 553 CD1 LEU A 36 -6.780 -0.361 5.106 1.00 0.00 C ATOM 554 CD2 LEU A 36 -6.756 -1.559 2.933 1.00 0.00 C ATOM 0 H LEU A 36 -7.951 1.707 3.621 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.316 2.018 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.525 0.717 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.820 0.643 2.412 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.067 -0.684 4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.855 -1.349 5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.203 0.296 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.779 0.052 4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.948 -2.424 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.699 -1.183 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.106 -1.851 2.108 1.00 0.00 H new ATOM 566 N GLU A 37 -6.160 3.847 1.827 1.00 0.00 N ATOM 567 CA GLU A 37 -5.758 4.991 1.036 1.00 0.00 C ATOM 568 C GLU A 37 -5.404 6.157 1.919 1.00 0.00 C ATOM 569 O GLU A 37 -4.357 6.776 1.762 1.00 0.00 O ATOM 570 CB GLU A 37 -6.849 5.437 0.071 1.00 0.00 C ATOM 571 CG GLU A 37 -6.300 6.173 -1.143 1.00 0.00 C ATOM 572 CD GLU A 37 -6.076 7.668 -0.945 1.00 0.00 C ATOM 573 OE1 GLU A 37 -6.819 8.313 -0.170 1.00 0.00 O ATOM 574 OE2 GLU A 37 -5.183 8.204 -1.640 1.00 0.00 O ATOM 0 H GLU A 37 -7.128 3.566 1.670 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.887 4.673 0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.411 4.565 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.550 6.086 0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.354 5.714 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.988 6.032 -1.976 1.00 0.00 H new ATOM 581 N ALA A 38 -6.243 6.391 2.922 1.00 0.00 N ATOM 582 CA ALA A 38 -5.910 7.348 3.941 1.00 0.00 C ATOM 583 C ALA A 38 -4.659 6.903 4.724 1.00 0.00 C ATOM 584 O ALA A 38 -3.732 7.687 4.869 1.00 0.00 O ATOM 585 CB ALA A 38 -7.107 7.597 4.860 1.00 0.00 C ATOM 0 H ALA A 38 -7.146 5.931 3.041 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.667 8.297 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.834 8.324 5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.942 7.982 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.400 6.662 5.337 1.00 0.00 H new ATOM 591 N TYR A 39 -4.565 5.653 5.184 1.00 0.00 N ATOM 592 CA TYR A 39 -3.437 5.163 5.996 1.00 0.00 C ATOM 593 C TYR A 39 -2.088 5.203 5.230 1.00 0.00 C ATOM 594 O TYR A 39 -1.044 5.488 5.816 1.00 0.00 O ATOM 595 CB TYR A 39 -3.757 3.758 6.544 1.00 0.00 C ATOM 596 CG TYR A 39 -2.635 2.747 6.460 1.00 0.00 C ATOM 597 CD1 TYR A 39 -2.466 2.018 5.269 1.00 0.00 C ATOM 598 CD2 TYR A 39 -1.722 2.568 7.519 1.00 0.00 C ATOM 599 CE1 TYR A 39 -1.366 1.174 5.104 1.00 0.00 C ATOM 600 CE2 TYR A 39 -0.635 1.682 7.362 1.00 0.00 C ATOM 601 CZ TYR A 39 -0.443 0.998 6.145 1.00 0.00 C ATOM 602 OH TYR A 39 0.624 0.162 6.000 1.00 0.00 O ATOM 0 H TYR A 39 -5.274 4.942 5.004 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.310 5.841 6.840 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.056 3.855 7.588 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.617 3.364 6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.193 2.112 4.476 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.854 3.106 8.446 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.225 0.653 4.168 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.054 1.527 8.179 1.00 0.00 H new ATOM 0 HH TYR A 39 1.105 0.386 5.176 1.00 0.00 H new ATOM 612 N TYR A 40 -2.127 5.008 3.910 1.00 0.00 N ATOM 613 CA TYR A 40 -1.033 5.265 2.964 1.00 0.00 C ATOM 614 C TYR A 40 -0.660 6.744 3.051 1.00 0.00 C ATOM 615 O TYR A 40 0.444 7.070 3.480 1.00 0.00 O ATOM 616 CB TYR A 40 -1.555 4.913 1.547 1.00 0.00 C ATOM 617 CG TYR A 40 -0.974 5.663 0.357 1.00 0.00 C ATOM 618 CD1 TYR A 40 0.409 5.698 0.112 1.00 0.00 C ATOM 619 CD2 TYR A 40 -1.842 6.396 -0.479 1.00 0.00 C ATOM 620 CE1 TYR A 40 0.925 6.584 -0.856 1.00 0.00 C ATOM 621 CE2 TYR A 40 -1.326 7.289 -1.435 1.00 0.00 C ATOM 622 CZ TYR A 40 0.061 7.410 -1.591 1.00 0.00 C ATOM 623 OH TYR A 40 0.555 8.363 -2.425 1.00 0.00 O ATOM 0 H TYR A 40 -2.962 4.649 3.447 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.149 4.668 3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.384 3.849 1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.634 5.067 1.542 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.074 5.049 0.663 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.910 6.271 -0.384 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.990 6.627 -1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.995 7.878 -2.045 1.00 0.00 H new ATOM 0 HH TYR A 40 1.229 7.965 -3.014 1.00 0.00 H new ATOM 633 N LYS A 41 -1.615 7.644 2.840 1.00 0.00 N ATOM 634 CA LYS A 41 -1.338 9.091 2.876 1.00 0.00 C ATOM 635 C LYS A 41 -0.800 9.581 4.240 1.00 0.00 C ATOM 636 O LYS A 41 0.077 10.441 4.303 1.00 0.00 O ATOM 637 CB LYS A 41 -2.596 9.865 2.473 1.00 0.00 C ATOM 638 CG LYS A 41 -3.011 9.465 1.053 1.00 0.00 C ATOM 639 CD LYS A 41 -2.769 10.538 -0.016 1.00 0.00 C ATOM 640 CE LYS A 41 -1.277 10.775 -0.210 1.00 0.00 C ATOM 641 NZ LYS A 41 -0.813 12.094 0.289 1.00 0.00 N ATOM 0 H LYS A 41 -2.587 7.406 2.642 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.540 9.283 2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.405 9.654 3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.406 10.937 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.467 8.563 0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.071 9.210 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.219 10.227 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.255 11.468 0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.723 9.988 0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.040 10.694 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.210 12.187 0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.315 12.852 -0.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.008 12.168 1.308 1.00 0.00 H new ATOM 655 N LYS A 42 -1.308 9.009 5.332 1.00 0.00 N ATOM 656 CA LYS A 42 -0.948 9.235 6.712 1.00 0.00 C ATOM 657 C LYS A 42 0.477 8.741 7.020 1.00 0.00 C ATOM 658 O LYS A 42 1.263 9.503 7.573 1.00 0.00 O ATOM 659 CB LYS A 42 -2.015 8.436 7.492 1.00 0.00 C ATOM 660 CG LYS A 42 -3.418 9.055 7.506 1.00 0.00 C ATOM 661 CD LYS A 42 -3.594 10.278 8.395 1.00 0.00 C ATOM 662 CE LYS A 42 -4.961 10.853 8.002 1.00 0.00 C ATOM 663 NZ LYS A 42 -5.149 12.245 8.476 1.00 0.00 N ATOM 0 H LYS A 42 -2.050 8.313 5.254 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.933 10.292 6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.081 7.436 7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.677 8.320 8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.683 9.330 6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.128 8.292 7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.567 10.007 9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.797 11.004 8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.065 10.825 6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.749 10.223 8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.087 12.587 8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.077 12.271 9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.415 12.855 8.063 1.00 0.00 H new ATOM 677 N ARG A 43 0.840 7.512 6.644 1.00 0.00 N ATOM 678 CA ARG A 43 2.213 7.015 6.786 1.00 0.00 C ATOM 679 C ARG A 43 3.249 7.621 5.868 1.00 0.00 C ATOM 680 O ARG A 43 4.345 7.902 6.342 1.00 0.00 O ATOM 681 CB ARG A 43 2.292 5.483 6.751 1.00 0.00 C ATOM 682 CG ARG A 43 3.697 5.006 7.188 1.00 0.00 C ATOM 683 CD ARG A 43 3.823 3.478 7.153 1.00 0.00 C ATOM 684 NE ARG A 43 3.082 2.843 8.263 1.00 0.00 N ATOM 685 CZ ARG A 43 3.088 1.564 8.581 1.00 0.00 C ATOM 686 NH1 ARG A 43 3.723 0.665 7.874 1.00 0.00 N ATOM 687 NH2 ARG A 43 2.450 1.149 9.646 1.00 0.00 N ATOM 0 H ARG A 43 0.195 6.836 6.235 1.00 0.00 H new ATOM 0 HA ARG A 43 2.485 7.369 7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.535 5.058 7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.076 5.124 5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.449 5.447 6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.904 5.364 8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.445 3.103 6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.875 3.198 7.210 1.00 0.00 H new ATOM 0 HE ARG A 43 2.508 3.457 8.841 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.240 0.944 7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.701 -0.315 8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.947 1.816 10.231 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.456 0.159 9.890 1.00 0.00 H new ATOM 701 N VAL A 44 2.996 7.837 4.579 1.00 0.00 N ATOM 702 CA VAL A 44 4.106 8.265 3.735 1.00 0.00 C ATOM 703 C VAL A 44 4.596 9.667 4.094 1.00 0.00 C ATOM 704 O VAL A 44 5.779 9.973 4.029 1.00 0.00 O ATOM 705 CB VAL A 44 3.794 8.146 2.264 1.00 0.00 C ATOM 706 CG1 VAL A 44 3.036 6.876 1.877 1.00 0.00 C ATOM 707 CG2 VAL A 44 3.126 9.374 1.632 1.00 0.00 C ATOM 0 H VAL A 44 2.092 7.731 4.119 1.00 0.00 H new ATOM 0 HA VAL A 44 4.925 7.575 3.939 1.00 0.00 H new ATOM 0 HB VAL A 44 4.794 8.079 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.854 6.874 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.629 6.002 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.083 6.845 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.945 9.185 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.178 9.571 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.780 10.239 1.739 1.00 0.00 H new ATOM 717 N LYS A 45 3.679 10.488 4.590 1.00 0.00 N ATOM 718 CA LYS A 45 3.956 11.740 5.271 1.00 0.00 C ATOM 719 C LYS A 45 4.833 11.550 6.538 1.00 0.00 C ATOM 720 O LYS A 45 5.743 12.329 6.809 1.00 0.00 O ATOM 721 CB LYS A 45 2.583 12.314 5.602 1.00 0.00 C ATOM 722 CG LYS A 45 2.650 13.511 6.540 1.00 0.00 C ATOM 723 CD LYS A 45 1.856 13.329 7.851 1.00 0.00 C ATOM 724 CE LYS A 45 2.393 12.173 8.706 1.00 0.00 C ATOM 725 NZ LYS A 45 1.575 11.945 9.916 1.00 0.00 N ATOM 0 H LYS A 45 2.681 10.288 4.524 1.00 0.00 H new ATOM 0 HA LYS A 45 4.540 12.415 4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.087 12.611 4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.970 11.536 6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.694 13.710 6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.272 14.390 6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.896 14.253 8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.808 13.146 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.416 11.262 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.421 12.388 9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.004 11.190 10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.531 12.821 10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.613 11.664 9.637 1.00 0.00 H new ATOM 739 N GLU A 46 4.565 10.475 7.293 1.00 0.00 N ATOM 740 CA GLU A 46 5.229 10.086 8.554 1.00 0.00 C ATOM 741 C GLU A 46 6.645 9.545 8.366 1.00 0.00 C ATOM 742 O GLU A 46 7.386 9.348 9.330 1.00 0.00 O ATOM 743 CB GLU A 46 4.371 9.022 9.247 1.00 0.00 C ATOM 744 CG GLU A 46 4.632 8.946 10.735 1.00 0.00 C ATOM 745 CD GLU A 46 3.336 8.833 11.524 1.00 0.00 C ATOM 746 OE1 GLU A 46 2.616 9.850 11.616 1.00 0.00 O ATOM 747 OE2 GLU A 46 3.043 7.731 12.039 1.00 0.00 O ATOM 0 H GLU A 46 3.837 9.812 7.028 1.00 0.00 H new ATOM 0 HA GLU A 46 5.324 10.989 9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.317 9.243 9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.570 8.050 8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.266 8.086 10.951 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.178 9.833 11.055 1.00 0.00 H new ATOM 754 N THR A 47 7.027 9.373 7.108 1.00 0.00 N ATOM 755 CA THR A 47 8.396 9.044 6.679 1.00 0.00 C ATOM 756 C THR A 47 8.772 9.817 5.401 1.00 0.00 C ATOM 757 O THR A 47 9.144 10.989 5.504 1.00 0.00 O ATOM 758 CB THR A 47 8.627 7.514 6.627 1.00 0.00 C ATOM 759 OG1 THR A 47 9.801 7.164 5.924 1.00 0.00 O ATOM 760 CG2 THR A 47 7.469 6.701 6.038 1.00 0.00 C ATOM 0 H THR A 47 6.378 9.460 6.326 1.00 0.00 H new ATOM 0 HA THR A 47 9.103 9.390 7.433 1.00 0.00 H new ATOM 0 HB THR A 47 8.718 7.253 7.681 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.902 6.189 5.921 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.727 5.642 6.045 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.572 6.860 6.636 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.283 7.022 5.013 1.00 0.00 H new ATOM 768 N GLU A 48 8.627 9.234 4.199 1.00 0.00 N ATOM 769 CA GLU A 48 8.656 9.991 2.914 1.00 0.00 C ATOM 770 C GLU A 48 7.923 9.357 1.733 1.00 0.00 C ATOM 771 O GLU A 48 7.472 10.047 0.823 1.00 0.00 O ATOM 772 CB GLU A 48 10.066 10.421 2.487 1.00 0.00 C ATOM 773 CG GLU A 48 10.988 9.241 2.669 1.00 0.00 C ATOM 774 CD GLU A 48 12.205 9.341 1.769 1.00 0.00 C ATOM 775 OE1 GLU A 48 13.117 10.144 2.076 1.00 0.00 O ATOM 776 OE2 GLU A 48 12.239 8.613 0.752 1.00 0.00 O ATOM 0 H GLU A 48 8.487 8.231 4.080 1.00 0.00 H new ATOM 0 HA GLU A 48 8.077 10.877 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.066 10.748 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.405 11.266 3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.308 9.185 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.448 8.319 2.451 1.00 0.00 H new ATOM 783 N LEU A 49 7.817 8.032 1.783 1.00 0.00 N ATOM 784 CA LEU A 49 7.888 7.105 0.653 1.00 0.00 C ATOM 785 C LEU A 49 8.877 7.444 -0.485 1.00 0.00 C ATOM 786 O LEU A 49 8.866 8.499 -1.126 1.00 0.00 O ATOM 787 CB LEU A 49 6.537 6.525 0.245 1.00 0.00 C ATOM 788 CG LEU A 49 5.522 7.183 -0.725 1.00 0.00 C ATOM 789 CD1 LEU A 49 5.962 8.103 -1.847 1.00 0.00 C ATOM 790 CD2 LEU A 49 4.791 6.016 -1.356 1.00 0.00 C ATOM 0 H LEU A 49 7.670 7.545 2.667 1.00 0.00 H new ATOM 0 HA LEU A 49 8.419 6.250 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.752 5.543 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.993 6.362 1.175 1.00 0.00 H new ATOM 0 HG LEU A 49 4.973 7.882 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.088 8.448 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.489 8.961 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.626 7.563 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.049 6.390 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.504 5.382 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.293 5.435 -0.579 1.00 0.00 H new ATOM 802 N LYS A 50 9.729 6.459 -0.770 1.00 0.00 N ATOM 803 CA LYS A 50 10.318 6.314 -2.095 1.00 0.00 C ATOM 804 C LYS A 50 9.237 6.178 -3.177 1.00 0.00 C ATOM 805 O LYS A 50 8.115 5.736 -2.901 1.00 0.00 O ATOM 806 CB LYS A 50 11.331 5.154 -2.116 1.00 0.00 C ATOM 807 CG LYS A 50 10.838 3.780 -2.617 1.00 0.00 C ATOM 808 CD LYS A 50 10.766 2.762 -1.494 1.00 0.00 C ATOM 809 CE LYS A 50 9.691 3.206 -0.499 1.00 0.00 C ATOM 810 NZ LYS A 50 9.368 2.160 0.500 1.00 0.00 N ATOM 0 H LYS A 50 10.025 5.751 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 50 10.870 7.224 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.173 5.456 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.713 5.024 -1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.853 3.891 -3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.508 3.415 -3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.528 1.776 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.732 2.680 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.029 4.104 0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.786 3.474 -1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.366 1.897 0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.961 1.323 0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.550 2.525 1.457 1.00 0.00 H new ATOM 824 N ASP A 51 9.613 6.425 -4.428 1.00 0.00 N ATOM 825 CA ASP A 51 8.698 6.371 -5.577 1.00 0.00 C ATOM 826 C ASP A 51 8.079 4.997 -5.788 1.00 0.00 C ATOM 827 O ASP A 51 6.900 4.877 -6.097 1.00 0.00 O ATOM 828 CB ASP A 51 9.413 6.802 -6.869 1.00 0.00 C ATOM 829 CG ASP A 51 10.676 5.978 -7.232 1.00 0.00 C ATOM 830 OD1 ASP A 51 11.710 6.122 -6.534 1.00 0.00 O ATOM 831 OD2 ASP A 51 10.642 5.217 -8.232 1.00 0.00 O ATOM 0 H ASP A 51 10.570 6.671 -4.681 1.00 0.00 H new ATOM 0 HA ASP A 51 7.891 7.066 -5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.706 6.736 -7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.697 7.850 -6.776 1.00 0.00 H new ATOM 836 N THR A 52 8.842 3.947 -5.509 1.00 0.00 N ATOM 837 CA THR A 52 8.508 2.550 -5.807 1.00 0.00 C ATOM 838 C THR A 52 7.217 2.083 -5.136 1.00 0.00 C ATOM 839 O THR A 52 6.420 1.382 -5.756 1.00 0.00 O ATOM 840 CB THR A 52 9.616 1.708 -5.193 1.00 0.00 C ATOM 841 OG1 THR A 52 10.866 2.013 -5.764 1.00 0.00 O ATOM 842 CG2 THR A 52 9.400 0.204 -5.250 1.00 0.00 C ATOM 0 H THR A 52 9.748 4.044 -5.050 1.00 0.00 H new ATOM 0 HA THR A 52 8.393 2.454 -6.887 1.00 0.00 H new ATOM 0 HB THR A 52 9.594 1.981 -4.138 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.581 1.733 -5.155 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.246 -0.303 -4.786 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.486 -0.053 -4.715 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.313 -0.112 -6.290 1.00 0.00 H new ATOM 850 N ASP A 53 7.013 2.455 -3.859 1.00 0.00 N ATOM 851 CA ASP A 53 5.798 2.111 -3.113 1.00 0.00 C ATOM 852 C ASP A 53 4.589 2.713 -3.808 1.00 0.00 C ATOM 853 O ASP A 53 3.714 1.990 -4.282 1.00 0.00 O ATOM 854 CB ASP A 53 5.965 2.594 -1.661 1.00 0.00 C ATOM 855 CG ASP A 53 4.804 2.319 -0.685 1.00 0.00 C ATOM 856 OD1 ASP A 53 3.632 2.639 -0.988 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.099 1.829 0.428 1.00 0.00 O ATOM 0 H ASP A 53 7.686 3.001 -3.321 1.00 0.00 H new ATOM 0 HA ASP A 53 5.637 1.033 -3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.864 2.132 -1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.140 3.670 -1.682 1.00 0.00 H new ATOM 862 N ASP A 54 4.702 4.016 -4.080 1.00 0.00 N ATOM 863 CA ASP A 54 3.632 4.935 -4.459 1.00 0.00 C ATOM 864 C ASP A 54 2.924 4.548 -5.736 1.00 0.00 C ATOM 865 O ASP A 54 1.711 4.604 -5.811 1.00 0.00 O ATOM 866 CB ASP A 54 4.302 6.306 -4.712 1.00 0.00 C ATOM 867 CG ASP A 54 3.289 7.462 -4.733 1.00 0.00 C ATOM 868 OD1 ASP A 54 2.844 7.924 -3.659 1.00 0.00 O ATOM 869 OD2 ASP A 54 2.902 7.901 -5.844 1.00 0.00 O ATOM 0 H ASP A 54 5.606 4.486 -4.038 1.00 0.00 H new ATOM 0 HA ASP A 54 2.890 4.934 -3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.045 6.492 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.834 6.277 -5.663 1.00 0.00 H new ATOM 874 N ILE A 55 3.696 4.207 -6.750 1.00 0.00 N ATOM 875 CA ILE A 55 3.192 3.787 -8.073 1.00 0.00 C ATOM 876 C ILE A 55 2.502 2.446 -7.997 1.00 0.00 C ATOM 877 O ILE A 55 1.426 2.247 -8.562 1.00 0.00 O ATOM 878 CB ILE A 55 4.240 3.727 -9.217 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.493 4.587 -8.981 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.564 4.117 -10.541 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.675 3.647 -8.717 1.00 0.00 C ATOM 0 H ILE A 55 4.714 4.209 -6.691 1.00 0.00 H new ATOM 0 HA ILE A 55 2.497 4.585 -8.333 1.00 0.00 H new ATOM 0 HB ILE A 55 4.602 2.699 -9.252 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.693 5.214 -9.850 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.342 5.255 -8.133 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.295 4.077 -11.348 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.751 3.423 -10.753 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.166 5.129 -10.462 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.577 4.235 -8.546 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.467 3.039 -7.837 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.823 2.998 -9.580 1.00 0.00 H new ATOM 893 N SER A 56 3.173 1.519 -7.305 1.00 0.00 N ATOM 894 CA SER A 56 2.743 0.125 -7.278 1.00 0.00 C ATOM 895 C SER A 56 1.401 0.067 -6.601 1.00 0.00 C ATOM 896 O SER A 56 0.433 -0.506 -7.101 1.00 0.00 O ATOM 897 CB SER A 56 3.674 -0.706 -6.395 1.00 0.00 C ATOM 898 OG SER A 56 4.068 -1.877 -7.095 1.00 0.00 O ATOM 0 H SER A 56 4.013 1.712 -6.759 1.00 0.00 H new ATOM 0 HA SER A 56 2.731 -0.253 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.552 -0.120 -6.121 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.169 -0.976 -5.468 1.00 0.00 H new ATOM 0 HG SER A 56 3.782 -2.669 -6.594 1.00 0.00 H new ATOM 904 N VAL A 57 1.386 0.718 -5.439 1.00 0.00 N ATOM 905 CA VAL A 57 0.232 0.817 -4.631 1.00 0.00 C ATOM 906 C VAL A 57 -0.809 1.661 -5.307 1.00 0.00 C ATOM 907 O VAL A 57 -1.878 1.139 -5.499 1.00 0.00 O ATOM 908 CB VAL A 57 0.567 1.412 -3.280 1.00 0.00 C ATOM 909 CG1 VAL A 57 1.285 0.486 -2.324 1.00 0.00 C ATOM 910 CG2 VAL A 57 0.961 2.862 -3.224 1.00 0.00 C ATOM 0 H VAL A 57 2.203 1.190 -5.051 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.160 -0.189 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.431 1.491 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.478 1.009 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.665 -0.389 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.231 0.170 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.170 3.143 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.852 3.021 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.146 3.476 -3.608 1.00 0.00 H new ATOM 920 N ARG A 58 -0.531 2.832 -5.887 1.00 0.00 N ATOM 921 CA ARG A 58 -1.642 3.585 -6.456 1.00 0.00 C ATOM 922 C ARG A 58 -2.299 2.891 -7.619 1.00 0.00 C ATOM 923 O ARG A 58 -3.512 2.944 -7.766 1.00 0.00 O ATOM 924 CB ARG A 58 -1.194 4.940 -6.956 1.00 0.00 C ATOM 925 CG ARG A 58 -1.884 6.013 -6.117 1.00 0.00 C ATOM 926 CD ARG A 58 -0.974 6.390 -4.945 1.00 0.00 C ATOM 927 NE ARG A 58 -0.047 7.467 -5.312 1.00 0.00 N ATOM 928 CZ ARG A 58 -0.307 8.759 -5.432 1.00 0.00 C ATOM 929 NH1 ARG A 58 -1.494 9.270 -5.243 1.00 0.00 N ATOM 930 NH2 ARG A 58 0.656 9.570 -5.767 1.00 0.00 N ATOM 0 H ARG A 58 0.393 3.255 -5.972 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.356 3.679 -5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.111 5.035 -6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.449 5.059 -8.009 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.095 6.891 -6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.841 5.645 -5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.582 6.704 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.409 5.515 -4.625 1.00 0.00 H new ATOM 0 HE ARG A 58 0.916 7.185 -5.497 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.275 8.665 -4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.640 10.274 -5.349 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.594 9.206 -5.933 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.471 10.569 -5.864 1.00 0.00 H new ATOM 944 N ASP A 59 -1.494 2.233 -8.432 1.00 0.00 N ATOM 945 CA ASP A 59 -2.033 1.535 -9.610 1.00 0.00 C ATOM 946 C ASP A 59 -2.891 0.314 -9.253 1.00 0.00 C ATOM 947 O ASP A 59 -3.787 -0.062 -10.002 1.00 0.00 O ATOM 948 CB ASP A 59 -0.862 1.102 -10.484 1.00 0.00 C ATOM 949 CG ASP A 59 -1.267 0.462 -11.827 1.00 0.00 C ATOM 950 OD1 ASP A 59 -1.736 1.189 -12.738 1.00 0.00 O ATOM 951 OD2 ASP A 59 -1.090 -0.771 -11.987 1.00 0.00 O ATOM 0 H ASP A 59 -0.484 2.160 -8.313 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.691 2.227 -10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.235 1.970 -10.685 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.253 0.391 -9.926 1.00 0.00 H new ATOM 956 N ALA A 60 -2.532 -0.347 -8.157 1.00 0.00 N ATOM 957 CA ALA A 60 -3.225 -1.394 -7.428 1.00 0.00 C ATOM 958 C ALA A 60 -4.461 -0.976 -6.643 1.00 0.00 C ATOM 959 O ALA A 60 -5.493 -1.626 -6.657 1.00 0.00 O ATOM 960 CB ALA A 60 -2.188 -1.995 -6.488 1.00 0.00 C ATOM 0 H ALA A 60 -1.641 -0.132 -7.709 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.628 -2.093 -8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.645 -2.795 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.360 -2.399 -7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.816 -1.223 -5.815 1.00 0.00 H new ATOM 966 N LEU A 61 -4.304 0.070 -5.857 1.00 0.00 N ATOM 967 CA LEU A 61 -5.245 0.697 -4.968 1.00 0.00 C ATOM 968 C LEU A 61 -6.322 1.422 -5.741 1.00 0.00 C ATOM 969 O LEU A 61 -7.482 1.044 -5.650 1.00 0.00 O ATOM 970 CB LEU A 61 -4.357 1.678 -4.197 1.00 0.00 C ATOM 971 CG LEU A 61 -4.958 2.311 -2.981 1.00 0.00 C ATOM 972 CD1 LEU A 61 -3.876 2.452 -1.919 1.00 0.00 C ATOM 973 CD2 LEU A 61 -5.672 3.622 -3.272 1.00 0.00 C ATOM 0 H LEU A 61 -3.406 0.553 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.779 -0.004 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.451 1.153 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.053 2.472 -4.880 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.746 1.659 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.300 2.912 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.483 1.467 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.070 3.078 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.083 4.025 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.965 4.335 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.480 3.446 -3.982 1.00 0.00 H new ATOM 985 N ALA A 62 -5.918 2.281 -6.684 1.00 0.00 N ATOM 986 CA ALA A 62 -6.804 2.700 -7.763 1.00 0.00 C ATOM 987 C ALA A 62 -7.277 1.543 -8.657 1.00 0.00 C ATOM 988 O ALA A 62 -8.375 1.560 -9.212 1.00 0.00 O ATOM 989 CB ALA A 62 -6.258 3.892 -8.552 1.00 0.00 C ATOM 0 H ALA A 62 -4.986 2.695 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.708 3.060 -7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.961 4.158 -9.342 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.126 4.742 -7.882 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.298 3.626 -8.995 1.00 0.00 H new ATOM 995 N GLY A 63 -6.416 0.536 -8.775 1.00 0.00 N ATOM 996 CA GLY A 63 -6.623 -0.736 -9.445 1.00 0.00 C ATOM 997 C GLY A 63 -7.914 -1.375 -8.979 1.00 0.00 C ATOM 998 O GLY A 63 -8.826 -1.644 -9.757 1.00 0.00 O ATOM 0 H GLY A 63 -5.482 0.598 -8.371 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.654 -0.585 -10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.785 -1.403 -9.240 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.949 -1.594 -7.663 1.00 0.00 N ATOM 1003 CA LYS A 64 -9.046 -2.077 -6.871 1.00 0.00 C ATOM 1004 C LYS A 64 -10.201 -1.085 -6.722 1.00 0.00 C ATOM 1005 O LYS A 64 -11.343 -1.498 -6.639 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.509 -2.732 -5.595 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.517 -3.776 -5.098 1.00 0.00 C ATOM 1008 CD LYS A 64 -9.369 -5.159 -5.758 1.00 0.00 C ATOM 1009 CE LYS A 64 -10.443 -6.128 -5.235 1.00 0.00 C ATOM 1010 NZ LYS A 64 -10.238 -7.512 -5.727 1.00 0.00 N ATOM 0 H LYS A 64 -7.127 -1.417 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.559 -2.872 -7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.547 -3.204 -5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.342 -1.977 -4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.407 -3.887 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.526 -3.405 -5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.455 -5.062 -6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.377 -5.562 -5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.431 -6.126 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.428 -5.777 -5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.108 -8.064 -5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.005 -7.489 -6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.457 -7.955 -5.202 1.00 0.00 H new ATOM 1024 N ARG A 65 -9.961 0.217 -6.649 1.00 0.00 N ATOM 1025 CA ARG A 65 -10.969 1.201 -6.280 1.00 0.00 C ATOM 1026 C ARG A 65 -12.165 1.096 -7.196 1.00 0.00 C ATOM 1027 O ARG A 65 -13.253 0.846 -6.721 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.349 2.598 -6.275 1.00 0.00 C ATOM 1029 CG ARG A 65 -10.903 3.570 -5.216 1.00 0.00 C ATOM 1030 CD ARG A 65 -9.689 4.187 -4.511 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.005 5.464 -3.854 1.00 0.00 N ATOM 1032 CZ ARG A 65 -10.079 6.669 -4.397 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -9.898 6.894 -5.671 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -10.343 7.689 -3.634 1.00 0.00 N ATOM 0 H ARG A 65 -9.047 0.625 -6.847 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.329 1.002 -5.271 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.274 2.498 -6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.492 3.043 -7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.515 4.343 -5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.540 3.045 -4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.309 3.485 -3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.892 4.344 -5.238 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.191 5.415 -2.852 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.688 6.120 -6.301 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.967 7.844 -6.036 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.489 7.553 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.404 8.624 -4.036 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.922 1.022 -8.502 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.992 0.843 -9.486 1.00 0.00 C ATOM 1050 C ALA A 66 -13.773 -0.456 -9.280 1.00 0.00 C ATOM 1051 O ALA A 66 -14.980 -0.505 -9.502 1.00 0.00 O ATOM 1052 CB ALA A 66 -12.432 0.831 -10.892 1.00 0.00 C ATOM 0 H ALA A 66 -10.988 1.083 -8.908 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.669 1.686 -9.346 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.244 0.697 -11.606 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.927 1.776 -11.090 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.721 0.011 -10.993 1.00 0.00 H new ATOM 1058 N GLU A 67 -13.067 -1.519 -8.873 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.635 -2.843 -8.633 1.00 0.00 C ATOM 1060 C GLU A 67 -14.564 -2.819 -7.449 1.00 0.00 C ATOM 1061 O GLU A 67 -15.623 -3.429 -7.422 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.519 -3.816 -8.265 1.00 0.00 C ATOM 1063 CG GLU A 67 -11.330 -3.755 -9.194 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.615 -4.368 -10.554 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.664 -5.618 -10.634 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -11.759 -3.610 -11.541 1.00 0.00 O ATOM 0 H GLU A 67 -12.063 -1.477 -8.699 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.163 -3.142 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.186 -3.606 -7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.918 -4.830 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.030 -2.715 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.489 -4.275 -8.735 1.00 0.00 H new ATOM 1073 N LEU A 68 -14.028 -2.202 -6.407 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.622 -2.031 -5.112 1.00 0.00 C ATOM 1075 C LEU A 68 -15.837 -1.114 -5.080 1.00 0.00 C ATOM 1076 O LEU A 68 -16.738 -1.273 -4.278 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.510 -1.786 -4.146 1.00 0.00 C ATOM 1078 CG LEU A 68 -12.943 -3.118 -3.680 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -11.822 -2.726 -2.789 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -13.880 -3.849 -2.724 1.00 0.00 C ATOM 0 H LEU A 68 -13.100 -1.782 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.128 -2.939 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.728 -1.191 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -13.874 -1.215 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.724 -3.741 -4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.340 -3.621 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.096 -2.141 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.206 -2.127 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.427 -4.793 -2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.054 -3.232 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -14.829 -4.045 -3.223 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.798 -0.125 -5.965 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.804 0.853 -6.306 1.00 0.00 C ATOM 1094 C GLU A 69 -17.921 0.249 -7.161 1.00 0.00 C ATOM 1095 O GLU A 69 -19.090 0.606 -7.035 1.00 0.00 O ATOM 1096 CB GLU A 69 -16.042 1.893 -7.112 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.597 3.150 -6.370 1.00 0.00 C ATOM 1098 CD GLU A 69 -15.189 4.241 -7.353 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -16.086 4.923 -7.899 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -13.973 4.430 -7.571 1.00 0.00 O ATOM 0 H GLU A 69 -14.956 0.020 -6.523 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.291 1.257 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.157 1.415 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.668 2.198 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.407 3.510 -5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.760 2.913 -5.714 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.526 -0.738 -7.972 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.401 -1.755 -8.583 1.00 0.00 C ATOM 1109 C ASP A 70 -18.835 -2.820 -7.555 1.00 0.00 C ATOM 1110 O ASP A 70 -19.753 -3.596 -7.823 1.00 0.00 O ATOM 1111 CB ASP A 70 -17.705 -2.402 -9.806 1.00 0.00 C ATOM 1112 CG ASP A 70 -17.821 -1.619 -11.139 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -18.751 -0.791 -11.308 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -17.012 -1.889 -12.064 1.00 0.00 O ATOM 0 H ASP A 70 -16.548 -0.859 -8.234 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.307 -1.257 -8.929 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.648 -2.531 -9.573 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -18.123 -3.398 -9.954 1.00 0.00 H new ATOM 1119 N SER A 71 -18.214 -2.804 -6.373 1.00 0.00 N ATOM 1120 CA SER A 71 -18.583 -3.651 -5.213 1.00 0.00 C ATOM 1121 C SER A 71 -19.071 -2.840 -3.983 1.00 0.00 C ATOM 1122 O SER A 71 -18.814 -3.213 -2.832 1.00 0.00 O ATOM 1123 CB SER A 71 -17.413 -4.575 -4.847 1.00 0.00 C ATOM 1124 OG SER A 71 -17.816 -5.642 -4.001 1.00 0.00 O ATOM 0 H SER A 71 -17.421 -2.191 -6.181 1.00 0.00 H new ATOM 0 HA SER A 71 -19.438 -4.255 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.975 -4.982 -5.758 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.635 -3.994 -4.351 1.00 0.00 H new ATOM 0 HG SER A 71 -18.324 -5.284 -3.243 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.749 -1.712 -4.233 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.194 -0.693 -3.256 1.00 0.00 C ATOM 1132 C ASP A 72 -20.901 -1.243 -1.992 1.00 0.00 C ATOM 1133 O ASP A 72 -20.763 -0.648 -0.921 1.00 0.00 O ATOM 1134 CB ASP A 72 -21.129 0.306 -3.970 1.00 0.00 C ATOM 1135 CG ASP A 72 -22.447 -0.315 -4.490 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -22.473 -0.788 -5.653 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -23.449 -0.324 -3.740 1.00 0.00 O ATOM 0 H ASP A 72 -20.022 -1.465 -5.184 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.283 -0.219 -2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -21.370 1.116 -3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.594 0.750 -4.810 1.00 0.00 H new ATOM 1142 N ASP A 73 -21.589 -2.390 -2.114 1.00 0.00 N ATOM 1143 CA ASP A 73 -22.233 -3.179 -1.032 1.00 0.00 C ATOM 1144 C ASP A 73 -23.043 -2.378 0.021 1.00 0.00 C ATOM 1145 O ASP A 73 -23.095 -2.734 1.201 1.00 0.00 O ATOM 1146 CB ASP A 73 -21.155 -4.076 -0.415 1.00 0.00 C ATOM 1147 CG ASP A 73 -21.645 -5.170 0.565 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -22.533 -5.971 0.189 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -21.079 -5.278 1.682 1.00 0.00 O ATOM 0 H ASP A 73 -21.723 -2.825 -3.027 1.00 0.00 H new ATOM 0 HA ASP A 73 -23.025 -3.774 -1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.611 -4.562 -1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.443 -3.441 0.111 1.00 0.00 H new ATOM 1154 N GLU A 74 -23.638 -1.257 -0.396 1.00 0.00 N ATOM 1155 CA GLU A 74 -24.261 -0.247 0.496 1.00 0.00 C ATOM 1156 C GLU A 74 -25.413 -0.804 1.329 1.00 0.00 C ATOM 1157 O GLU A 74 -26.325 -1.440 0.796 1.00 0.00 O ATOM 1158 CB GLU A 74 -24.736 0.990 -0.274 1.00 0.00 C ATOM 1159 CG GLU A 74 -23.549 1.779 -0.818 1.00 0.00 C ATOM 1160 CD GLU A 74 -24.026 3.094 -1.415 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -24.118 4.086 -0.653 1.00 0.00 O ATOM 1162 OE2 GLU A 74 -24.270 3.153 -2.641 1.00 0.00 O ATOM 0 H GLU A 74 -23.707 -1.011 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 74 -23.467 0.046 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -25.383 0.685 -1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -25.331 1.626 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.833 1.972 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -23.030 1.193 -1.577 1.00 0.00 H new ATOM 1169 N VAL A 75 -25.368 -0.557 2.641 1.00 0.00 N ATOM 1170 CA VAL A 75 -26.183 -1.156 3.731 1.00 0.00 C ATOM 1171 C VAL A 75 -26.125 -2.683 3.848 1.00 0.00 C ATOM 1172 O VAL A 75 -25.816 -3.239 4.907 1.00 0.00 O ATOM 1173 CB VAL A 75 -27.649 -0.665 3.672 1.00 0.00 C ATOM 1174 CG1 VAL A 75 -28.606 -1.457 4.574 1.00 0.00 C ATOM 1175 CG2 VAL A 75 -27.722 0.816 4.068 1.00 0.00 C ATOM 0 H VAL A 75 -24.707 0.125 3.012 1.00 0.00 H new ATOM 0 HA VAL A 75 -25.708 -0.794 4.643 1.00 0.00 H new ATOM 0 HB VAL A 75 -27.971 -0.818 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -29.614 -1.054 4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -28.604 -2.505 4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -28.280 -1.375 5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -28.757 1.154 4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -27.343 0.941 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -27.118 1.407 3.380 1.00 0.00 H new ATOM 1185 N GLU A 76 -26.456 -3.347 2.750 1.00 0.00 N ATOM 1186 CA GLU A 76 -26.734 -4.783 2.607 1.00 0.00 C ATOM 1187 C GLU A 76 -26.340 -5.377 1.250 1.00 0.00 C ATOM 1188 O GLU A 76 -26.099 -6.579 1.140 1.00 0.00 O ATOM 1189 CB GLU A 76 -28.235 -5.025 2.822 1.00 0.00 C ATOM 1190 CG GLU A 76 -29.127 -4.436 1.722 1.00 0.00 C ATOM 1191 CD GLU A 76 -30.583 -4.775 2.001 1.00 0.00 C ATOM 1192 OE1 GLU A 76 -31.249 -4.014 2.738 1.00 0.00 O ATOM 1193 OE2 GLU A 76 -31.059 -5.805 1.472 1.00 0.00 O ATOM 0 H GLU A 76 -26.547 -2.861 1.858 1.00 0.00 H new ATOM 0 HA GLU A 76 -26.120 -5.282 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -28.414 -6.098 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -28.528 -4.597 3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -28.998 -3.355 1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -28.832 -4.833 0.751 1.00 0.00 H new ATOM 1200 N GLU A 77 -26.343 -4.532 0.209 1.00 0.00 N ATOM 1201 CA GLU A 77 -26.197 -4.869 -1.220 1.00 0.00 C ATOM 1202 C GLU A 77 -26.040 -3.612 -2.080 1.00 0.00 C ATOM 1203 O GLU A 77 -25.171 -3.518 -2.942 1.00 0.00 O ATOM 1204 CB GLU A 77 -27.445 -5.605 -1.737 1.00 0.00 C ATOM 1205 CG GLU A 77 -27.275 -6.264 -3.105 1.00 0.00 C ATOM 1206 CD GLU A 77 -26.438 -7.529 -3.020 1.00 0.00 C ATOM 1207 OE1 GLU A 77 -26.996 -8.593 -2.665 1.00 0.00 O ATOM 1208 OE2 GLU A 77 -25.229 -7.476 -3.345 1.00 0.00 O ATOM 0 H GLU A 77 -26.455 -3.528 0.349 1.00 0.00 H new ATOM 0 HA GLU A 77 -25.309 -5.497 -1.298 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -27.726 -6.370 -1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -28.272 -4.897 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -28.255 -6.503 -3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -26.803 -5.561 -3.791 1.00 0.00 H new ATOM 1215 N SER A 78 -26.955 -2.681 -1.829 1.00 0.00 N ATOM 1216 CA SER A 78 -27.259 -1.453 -2.564 1.00 0.00 C ATOM 1217 C SER A 78 -28.319 -0.660 -1.768 1.00 0.00 C ATOM 1218 O SER A 78 -29.200 -1.268 -1.143 1.00 0.00 O ATOM 1219 CB SER A 78 -27.806 -1.812 -3.961 1.00 0.00 C ATOM 1220 OG SER A 78 -28.823 -2.805 -3.912 1.00 0.00 O ATOM 0 H SER A 78 -27.568 -2.777 -1.020 1.00 0.00 H new ATOM 0 HA SER A 78 -26.359 -0.850 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 78 -28.203 -0.914 -4.433 1.00 0.00 H new ATOM 0 HB3 SER A 78 -26.987 -2.166 -4.588 1.00 0.00 H new ATOM 0 HG SER A 78 -29.138 -2.996 -4.820 1.00 0.00 H new ATOM 1226 N PHE A 79 -28.250 0.676 -1.757 1.00 0.00 N ATOM 1227 CA PHE A 79 -29.164 1.520 -0.971 1.00 0.00 C ATOM 1228 C PHE A 79 -29.320 2.930 -1.573 1.00 0.00 C ATOM 1229 O PHE A 79 -30.473 3.344 -1.824 1.00 0.00 O ATOM 1230 CB PHE A 79 -28.681 1.580 0.486 1.00 0.00 C ATOM 1231 CG PHE A 79 -29.703 2.130 1.460 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -30.753 1.305 1.913 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -29.601 3.452 1.931 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -31.688 1.800 2.841 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -30.530 3.946 2.864 1.00 0.00 C ATOM 1236 CZ PHE A 79 -31.579 3.122 3.316 1.00 0.00 C ATOM 1237 OXT PHE A 79 -28.301 3.620 -1.800 1.00 0.00 O ATOM 0 H PHE A 79 -27.560 1.204 -2.291 1.00 0.00 H new ATOM 0 HA PHE A 79 -30.155 1.068 -0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -28.397 0.577 0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -27.783 2.196 0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -30.840 0.292 1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -28.806 4.090 1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -32.490 1.166 3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -30.439 4.957 3.234 1.00 0.00 H new ATOM 0 HZ PHE A 79 -32.299 3.503 4.026 1.00 0.00 H new TER 1247 PHE A 79