USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 480 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.0267 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.24) USER MOD Single : A 4 CYS SG : rot 160:sc= -2.28 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -128:sc= 1.27 USER MOD Single : A 13 GLN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0236 K(o=-0.024,f=-1.7) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -1.3 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 42 ASN : amide:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 43 ASN : amide:sc=-0.00809 K(o=-0.0081,f=0.68) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 140:sc= 1.47 USER MOD Single : A 51 ASN : amide:sc= -0.679 K(o=-0.68,f=-0.062) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.561 14.839 4.160 1.00 0.00 N ATOM 2 CA MET A 1 -1.552 13.750 4.230 1.00 0.00 C ATOM 3 C MET A 1 -2.169 12.460 4.762 1.00 0.00 C ATOM 4 O MET A 1 -3.108 12.490 5.556 1.00 0.00 O ATOM 5 CB MET A 1 -0.409 14.203 5.140 1.00 0.00 C ATOM 6 CG MET A 1 0.709 14.919 4.401 1.00 0.00 C ATOM 7 SD MET A 1 2.283 14.839 5.277 1.00 0.00 S ATOM 8 CE MET A 1 3.436 14.950 3.911 1.00 0.00 C ATOM 0 H1 MET A 1 -2.107 15.748 4.383 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.963 14.879 3.202 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.320 14.654 4.846 1.00 0.00 H new ATOM 0 HA MET A 1 -1.176 13.545 3.228 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.808 14.865 5.908 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.003 13.333 5.652 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.826 14.478 3.411 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.432 15.963 4.254 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.456 14.914 4.292 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.274 14.115 3.229 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.281 15.889 3.379 1.00 0.00 H new ATOM 20 N ARG A 2 -1.634 11.328 4.317 1.00 0.00 N ATOM 21 CA ARG A 2 -2.131 10.026 4.746 1.00 0.00 C ATOM 22 C ARG A 2 -1.290 8.901 4.151 1.00 0.00 C ATOM 23 O ARG A 2 -1.214 8.748 2.932 1.00 0.00 O ATOM 24 CB ARG A 2 -3.598 9.858 4.339 1.00 0.00 C ATOM 25 CG ARG A 2 -4.545 9.718 5.520 1.00 0.00 C ATOM 26 CD ARG A 2 -4.947 8.269 5.743 1.00 0.00 C ATOM 27 NE ARG A 2 -5.104 7.957 7.162 1.00 0.00 N ATOM 28 CZ ARG A 2 -5.776 6.903 7.619 1.00 0.00 C ATOM 29 NH1 ARG A 2 -6.354 6.058 6.775 1.00 0.00 N ATOM 30 NH2 ARG A 2 -5.869 6.693 8.925 1.00 0.00 N ATOM 0 H ARG A 2 -0.856 11.286 3.659 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.056 9.974 5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.901 10.717 3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.691 8.978 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.067 10.107 6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.436 10.321 5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.883 8.068 5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.193 7.613 5.309 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.673 8.584 7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.285 6.214 5.769 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.868 5.252 7.132 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.426 7.339 9.578 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.384 5.886 9.276 1.00 0.00 H new ATOM 44 N GLN A 3 -0.660 8.117 5.019 1.00 0.00 N ATOM 45 CA GLN A 3 0.176 7.007 4.577 1.00 0.00 C ATOM 46 C GLN A 3 0.158 5.870 5.593 1.00 0.00 C ATOM 47 O GLN A 3 -0.068 6.090 6.783 1.00 0.00 O ATOM 48 CB GLN A 3 1.613 7.481 4.351 1.00 0.00 C ATOM 49 CG GLN A 3 2.251 8.100 5.584 1.00 0.00 C ATOM 50 CD GLN A 3 1.997 9.591 5.685 1.00 0.00 C ATOM 51 OE1 GLN A 3 2.422 10.365 4.827 1.00 0.00 O ATOM 52 NE2 GLN A 3 1.302 10.002 6.739 1.00 0.00 N ATOM 0 H GLN A 3 -0.712 8.229 6.031 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.229 6.634 3.636 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.218 6.635 4.025 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.623 8.211 3.542 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.863 7.608 6.476 1.00 0.00 H new ATOM 0 HG3 GLN A 3 3.326 7.919 5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.969 9.325 7.426 1.00 0.00 H new ATOM 0 HE22 GLN A 3 1.101 10.994 6.862 1.00 0.00 H new ATOM 61 N CYS A 4 0.398 4.654 5.114 1.00 0.00 N ATOM 62 CA CYS A 4 0.410 3.479 5.978 1.00 0.00 C ATOM 63 C CYS A 4 1.513 2.513 5.558 1.00 0.00 C ATOM 64 O CYS A 4 2.020 2.585 4.439 1.00 0.00 O ATOM 65 CB CYS A 4 -0.946 2.773 5.932 1.00 0.00 C ATOM 66 SG CYS A 4 -2.350 3.852 6.298 1.00 0.00 S ATOM 0 H CYS A 4 0.587 4.456 4.131 1.00 0.00 H new ATOM 0 HA CYS A 4 0.605 3.808 6.999 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.084 2.338 4.942 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -0.939 1.948 6.645 1.00 0.00 H new ATOM 0 HG CYS A 4 -3.441 3.317 5.835 1.00 0.00 H new ATOM 72 N LYS A 5 1.880 1.608 6.460 1.00 0.00 N ATOM 73 CA LYS A 5 2.923 0.631 6.172 1.00 0.00 C ATOM 74 C LYS A 5 2.412 -0.794 6.367 1.00 0.00 C ATOM 75 O LYS A 5 1.893 -1.140 7.424 1.00 0.00 O ATOM 76 CB LYS A 5 4.133 0.877 7.074 1.00 0.00 C ATOM 77 CG LYS A 5 5.385 0.137 6.633 1.00 0.00 C ATOM 78 CD LYS A 5 6.385 0.011 7.771 1.00 0.00 C ATOM 79 CE LYS A 5 5.956 -1.049 8.773 1.00 0.00 C ATOM 80 NZ LYS A 5 6.245 -0.637 10.175 1.00 0.00 N ATOM 0 H LYS A 5 1.473 1.531 7.392 1.00 0.00 H new ATOM 0 HA LYS A 5 3.218 0.748 5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.344 1.946 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.883 0.576 8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.115 -0.856 6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.846 0.665 5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.366 -0.242 7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.486 0.971 8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.889 -1.241 8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.472 -1.984 8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.938 -1.386 10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.267 -0.478 10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.732 0.242 10.391 1.00 0.00 H new ATOM 94 N VAL A 6 2.574 -1.611 5.334 1.00 0.00 N ATOM 95 CA VAL A 6 2.143 -3.007 5.359 1.00 0.00 C ATOM 96 C VAL A 6 2.896 -3.802 6.422 1.00 0.00 C ATOM 97 O VAL A 6 4.081 -3.572 6.661 1.00 0.00 O ATOM 98 CB VAL A 6 2.352 -3.688 3.990 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.517 -4.955 3.892 1.00 0.00 C ATOM 100 CG2 VAL A 6 2.021 -2.733 2.848 1.00 0.00 C ATOM 0 H VAL A 6 3.007 -1.327 4.455 1.00 0.00 H new ATOM 0 HA VAL A 6 1.080 -2.999 5.598 1.00 0.00 H new ATOM 0 HB VAL A 6 3.404 -3.961 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.677 -5.422 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.813 -5.647 4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.462 -4.705 4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.177 -3.238 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.980 -2.419 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.669 -1.859 2.906 1.00 0.00 H new ATOM 110 N LEU A 7 2.197 -4.739 7.056 1.00 0.00 N ATOM 111 CA LEU A 7 2.798 -5.572 8.093 1.00 0.00 C ATOM 112 C LEU A 7 3.367 -6.864 7.507 1.00 0.00 C ATOM 113 O LEU A 7 4.248 -7.487 8.099 1.00 0.00 O ATOM 114 CB LEU A 7 1.770 -5.899 9.182 1.00 0.00 C ATOM 115 CG LEU A 7 0.395 -6.344 8.676 1.00 0.00 C ATOM 116 CD1 LEU A 7 0.502 -7.648 7.902 1.00 0.00 C ATOM 117 CD2 LEU A 7 -0.576 -6.495 9.838 1.00 0.00 C ATOM 0 H LEU A 7 1.215 -4.940 6.870 1.00 0.00 H new ATOM 0 HA LEU A 7 3.619 -5.008 8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.177 -6.686 9.817 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.639 -5.018 9.811 1.00 0.00 H new ATOM 0 HG LEU A 7 0.015 -5.576 8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.486 -7.945 7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.164 -7.510 7.047 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.906 -8.425 8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.548 -6.812 9.461 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.196 -7.242 10.535 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.680 -5.539 10.352 1.00 0.00 H new ATOM 129 N PHE A 8 2.858 -7.264 6.344 1.00 0.00 N ATOM 130 CA PHE A 8 3.319 -8.484 5.686 1.00 0.00 C ATOM 131 C PHE A 8 3.907 -8.178 4.311 1.00 0.00 C ATOM 132 O PHE A 8 3.931 -7.026 3.876 1.00 0.00 O ATOM 133 CB PHE A 8 2.168 -9.484 5.549 1.00 0.00 C ATOM 134 CG PHE A 8 2.497 -10.854 6.070 1.00 0.00 C ATOM 135 CD1 PHE A 8 2.648 -11.075 7.429 1.00 0.00 C ATOM 136 CD2 PHE A 8 2.654 -11.921 5.199 1.00 0.00 C ATOM 137 CE1 PHE A 8 2.949 -12.335 7.911 1.00 0.00 C ATOM 138 CE2 PHE A 8 2.956 -13.183 5.675 1.00 0.00 C ATOM 139 CZ PHE A 8 3.104 -13.390 7.033 1.00 0.00 C ATOM 0 H PHE A 8 2.128 -6.762 5.839 1.00 0.00 H new ATOM 0 HA PHE A 8 4.102 -8.923 6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.299 -9.100 6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.888 -9.561 4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.529 -10.253 8.120 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.539 -11.764 4.137 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.063 -12.494 8.973 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.076 -14.006 4.986 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.340 -14.375 7.407 1.00 0.00 H new ATOM 149 N GLU A 9 4.378 -9.218 3.631 1.00 0.00 N ATOM 150 CA GLU A 9 4.964 -9.065 2.304 1.00 0.00 C ATOM 151 C GLU A 9 3.922 -9.320 1.220 1.00 0.00 C ATOM 152 O GLU A 9 3.072 -10.200 1.357 1.00 0.00 O ATOM 153 CB GLU A 9 6.143 -10.024 2.131 1.00 0.00 C ATOM 154 CG GLU A 9 6.848 -9.886 0.790 1.00 0.00 C ATOM 155 CD GLU A 9 8.342 -9.669 0.935 1.00 0.00 C ATOM 156 OE1 GLU A 9 8.765 -8.498 1.034 1.00 0.00 O ATOM 157 OE2 GLU A 9 9.089 -10.670 0.950 1.00 0.00 O ATOM 0 H GLU A 9 4.365 -10.177 3.977 1.00 0.00 H new ATOM 0 HA GLU A 9 5.322 -8.040 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.863 -9.849 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.787 -11.048 2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.671 -10.783 0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.415 -9.050 0.241 1.00 0.00 H new ATOM 164 N TYR A 10 3.991 -8.545 0.142 1.00 0.00 N ATOM 165 CA TYR A 10 3.050 -8.688 -0.964 1.00 0.00 C ATOM 166 C TYR A 10 3.785 -8.918 -2.281 1.00 0.00 C ATOM 167 O TYR A 10 4.856 -8.357 -2.512 1.00 0.00 O ATOM 168 CB TYR A 10 2.164 -7.445 -1.071 1.00 0.00 C ATOM 169 CG TYR A 10 1.131 -7.529 -2.172 1.00 0.00 C ATOM 170 CD1 TYR A 10 0.142 -8.504 -2.150 1.00 0.00 C ATOM 171 CD2 TYR A 10 1.145 -6.633 -3.234 1.00 0.00 C ATOM 172 CE1 TYR A 10 -0.804 -8.584 -3.155 1.00 0.00 C ATOM 173 CE2 TYR A 10 0.203 -6.706 -4.242 1.00 0.00 C ATOM 174 CZ TYR A 10 -0.769 -7.683 -4.198 1.00 0.00 C ATOM 175 OH TYR A 10 -1.708 -7.758 -5.200 1.00 0.00 O ATOM 0 H TYR A 10 4.688 -7.812 0.011 1.00 0.00 H new ATOM 0 HA TYR A 10 2.423 -9.557 -0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.656 -7.288 -0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.795 -6.573 -1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.111 -9.211 -1.334 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.905 -5.867 -3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.566 -9.348 -3.123 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.228 -6.001 -5.060 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.257 -7.781 -6.070 1.00 0.00 H new ATOM 185 N ILE A 11 3.200 -9.745 -3.142 1.00 0.00 N ATOM 186 CA ILE A 11 3.795 -10.049 -4.437 1.00 0.00 C ATOM 187 C ILE A 11 2.818 -9.747 -5.573 1.00 0.00 C ATOM 188 O ILE A 11 1.708 -10.276 -5.601 1.00 0.00 O ATOM 189 CB ILE A 11 4.223 -11.527 -4.525 1.00 0.00 C ATOM 190 CG1 ILE A 11 5.049 -11.916 -3.298 1.00 0.00 C ATOM 191 CG2 ILE A 11 5.012 -11.776 -5.802 1.00 0.00 C ATOM 192 CD1 ILE A 11 5.177 -13.411 -3.105 1.00 0.00 C ATOM 0 H ILE A 11 2.313 -10.217 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 11 4.677 -9.416 -4.538 1.00 0.00 H new ATOM 0 HB ILE A 11 3.327 -12.148 -4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.045 -11.483 -3.388 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.592 -11.481 -2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.307 -12.824 -5.849 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.392 -11.534 -6.666 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.903 -11.148 -5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.775 -13.613 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.186 -13.848 -2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.662 -13.850 -3.977 1.00 0.00 H new ATOM 204 N PRO A 12 3.216 -8.886 -6.529 1.00 0.00 N ATOM 205 CA PRO A 12 2.363 -8.521 -7.661 1.00 0.00 C ATOM 206 C PRO A 12 2.357 -9.585 -8.753 1.00 0.00 C ATOM 207 O PRO A 12 3.287 -10.383 -8.863 1.00 0.00 O ATOM 208 CB PRO A 12 3.006 -7.234 -8.172 1.00 0.00 C ATOM 209 CG PRO A 12 4.453 -7.387 -7.850 1.00 0.00 C ATOM 210 CD PRO A 12 4.523 -8.200 -6.582 1.00 0.00 C ATOM 0 HA PRO A 12 1.318 -8.412 -7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.849 -7.110 -9.243 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.581 -6.357 -7.684 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.981 -7.887 -8.662 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.926 -6.414 -7.714 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.348 -8.912 -6.609 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.678 -7.566 -5.709 1.00 0.00 H new ATOM 218 N GLN A 13 1.301 -9.589 -9.561 1.00 0.00 N ATOM 219 CA GLN A 13 1.172 -10.553 -10.647 1.00 0.00 C ATOM 220 C GLN A 13 0.672 -9.875 -11.919 1.00 0.00 C ATOM 221 O GLN A 13 1.217 -10.084 -13.002 1.00 0.00 O ATOM 222 CB GLN A 13 0.217 -11.679 -10.247 1.00 0.00 C ATOM 223 CG GLN A 13 0.794 -12.627 -9.208 1.00 0.00 C ATOM 224 CD GLN A 13 1.404 -13.869 -9.827 1.00 0.00 C ATOM 225 OE1 GLN A 13 0.860 -14.967 -9.707 1.00 0.00 O ATOM 226 NE2 GLN A 13 2.541 -13.702 -10.492 1.00 0.00 N ATOM 0 H GLN A 13 0.522 -8.935 -9.484 1.00 0.00 H new ATOM 0 HA GLN A 13 2.158 -10.975 -10.844 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.703 -11.243 -9.857 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.052 -12.249 -11.136 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.554 -12.104 -8.627 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.007 -12.921 -8.513 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.957 -12.774 -10.566 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.999 -14.502 -10.929 1.00 0.00 H new ATOM 235 N ASN A 14 -0.370 -9.060 -11.778 1.00 0.00 N ATOM 236 CA ASN A 14 -0.944 -8.350 -12.915 1.00 0.00 C ATOM 237 C ASN A 14 -0.176 -7.063 -13.196 1.00 0.00 C ATOM 238 O ASN A 14 0.689 -6.661 -12.418 1.00 0.00 O ATOM 239 CB ASN A 14 -2.417 -8.034 -12.654 1.00 0.00 C ATOM 240 CG ASN A 14 -3.270 -9.284 -12.564 1.00 0.00 C ATOM 241 OD1 ASN A 14 -2.760 -10.403 -12.627 1.00 0.00 O ATOM 242 ND2 ASN A 14 -4.577 -9.100 -12.416 1.00 0.00 N ATOM 0 H ASN A 14 -0.833 -8.876 -10.888 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.868 -8.994 -13.791 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.506 -7.470 -11.726 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.796 -7.396 -13.452 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.201 -9.904 -12.350 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.957 -8.155 -12.369 1.00 0.00 H new ATOM 249 N GLU A 15 -0.497 -6.420 -14.315 1.00 0.00 N ATOM 250 CA GLU A 15 0.163 -5.178 -14.699 1.00 0.00 C ATOM 251 C GLU A 15 -0.173 -4.056 -13.722 1.00 0.00 C ATOM 252 O GLU A 15 0.637 -3.159 -13.489 1.00 0.00 O ATOM 253 CB GLU A 15 -0.248 -4.776 -16.117 1.00 0.00 C ATOM 254 CG GLU A 15 0.530 -3.589 -16.662 1.00 0.00 C ATOM 255 CD GLU A 15 1.016 -3.811 -18.081 1.00 0.00 C ATOM 256 OE1 GLU A 15 0.245 -4.363 -18.894 1.00 0.00 O ATOM 257 OE2 GLU A 15 2.169 -3.433 -18.379 1.00 0.00 O ATOM 0 H GLU A 15 -1.210 -6.739 -14.971 1.00 0.00 H new ATOM 0 HA GLU A 15 1.240 -5.345 -14.673 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.108 -5.628 -16.782 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.311 -4.537 -16.124 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.102 -2.701 -16.633 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.385 -3.393 -16.016 1.00 0.00 H new ATOM 264 N ASP A 16 -1.374 -4.112 -13.154 1.00 0.00 N ATOM 265 CA ASP A 16 -1.816 -3.099 -12.202 1.00 0.00 C ATOM 266 C ASP A 16 -1.587 -3.563 -10.767 1.00 0.00 C ATOM 267 O ASP A 16 -2.436 -3.366 -9.897 1.00 0.00 O ATOM 268 CB ASP A 16 -3.296 -2.779 -12.419 1.00 0.00 C ATOM 269 CG ASP A 16 -3.587 -2.317 -13.833 1.00 0.00 C ATOM 270 OD1 ASP A 16 -2.968 -1.325 -14.273 1.00 0.00 O ATOM 271 OD2 ASP A 16 -4.435 -2.946 -14.501 1.00 0.00 O ATOM 0 H ASP A 16 -2.057 -4.847 -13.336 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.228 -2.197 -12.369 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.892 -3.665 -12.199 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.604 -2.005 -11.716 1.00 0.00 H new ATOM 276 N GLU A 17 -0.435 -4.179 -10.525 1.00 0.00 N ATOM 277 CA GLU A 17 -0.094 -4.670 -9.195 1.00 0.00 C ATOM 278 C GLU A 17 1.302 -4.213 -8.786 1.00 0.00 C ATOM 279 O GLU A 17 2.282 -4.477 -9.483 1.00 0.00 O ATOM 280 CB GLU A 17 -0.176 -6.197 -9.156 1.00 0.00 C ATOM 281 CG GLU A 17 -1.590 -6.725 -8.980 1.00 0.00 C ATOM 282 CD GLU A 17 -1.620 -8.176 -8.539 1.00 0.00 C ATOM 283 OE1 GLU A 17 -0.871 -8.528 -7.603 1.00 0.00 O ATOM 284 OE2 GLU A 17 -2.392 -8.960 -9.130 1.00 0.00 O ATOM 0 H GLU A 17 0.279 -4.350 -11.233 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.813 -4.256 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.241 -6.599 -10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.445 -6.565 -8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.113 -6.114 -8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.131 -6.624 -9.921 1.00 0.00 H new ATOM 291 N LEU A 18 1.386 -3.527 -7.650 1.00 0.00 N ATOM 292 CA LEU A 18 2.662 -3.034 -7.146 1.00 0.00 C ATOM 293 C LEU A 18 3.227 -3.977 -6.088 1.00 0.00 C ATOM 294 O LEU A 18 2.480 -4.672 -5.399 1.00 0.00 O ATOM 295 CB LEU A 18 2.495 -1.630 -6.560 1.00 0.00 C ATOM 296 CG LEU A 18 3.610 -0.644 -6.911 1.00 0.00 C ATOM 297 CD1 LEU A 18 3.137 0.788 -6.712 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.849 -0.920 -6.071 1.00 0.00 C ATOM 0 H LEU A 18 0.585 -3.300 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 18 3.363 -2.990 -7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.546 -1.219 -6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.431 -1.711 -5.475 1.00 0.00 H new ATOM 0 HG LEU A 18 3.870 -0.777 -7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.943 1.476 -6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.279 0.981 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.850 0.935 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.632 -0.209 -6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.603 -0.815 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.200 -1.934 -6.263 1.00 0.00 H new ATOM 310 N GLU A 19 4.550 -3.995 -5.963 1.00 0.00 N ATOM 311 CA GLU A 19 5.212 -4.852 -4.987 1.00 0.00 C ATOM 312 C GLU A 19 5.294 -4.167 -3.627 1.00 0.00 C ATOM 313 O GLU A 19 6.073 -3.233 -3.437 1.00 0.00 O ATOM 314 CB GLU A 19 6.616 -5.222 -5.471 1.00 0.00 C ATOM 315 CG GLU A 19 7.063 -6.609 -5.039 1.00 0.00 C ATOM 316 CD GLU A 19 8.570 -6.729 -4.934 1.00 0.00 C ATOM 317 OE1 GLU A 19 9.227 -6.892 -5.984 1.00 0.00 O ATOM 318 OE2 GLU A 19 9.094 -6.660 -3.803 1.00 0.00 O ATOM 0 H GLU A 19 5.184 -3.427 -6.525 1.00 0.00 H new ATOM 0 HA GLU A 19 4.621 -5.761 -4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.643 -5.163 -6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.327 -4.487 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.615 -6.847 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.692 -7.345 -5.753 1.00 0.00 H new ATOM 325 N LEU A 20 4.484 -4.638 -2.684 1.00 0.00 N ATOM 326 CA LEU A 20 4.464 -4.071 -1.341 1.00 0.00 C ATOM 327 C LEU A 20 5.235 -4.956 -0.365 1.00 0.00 C ATOM 328 O LEU A 20 4.685 -5.902 0.199 1.00 0.00 O ATOM 329 CB LEU A 20 3.019 -3.893 -0.863 1.00 0.00 C ATOM 330 CG LEU A 20 2.619 -2.455 -0.525 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.013 -1.509 -1.650 1.00 0.00 C ATOM 332 CD2 LEU A 20 1.124 -2.370 -0.256 1.00 0.00 C ATOM 0 H LEU A 20 3.833 -5.411 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 20 4.949 -3.096 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.348 -4.268 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.866 -4.513 0.020 1.00 0.00 H new ATOM 0 HG LEU A 20 3.151 -2.153 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.720 -0.492 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.092 -1.549 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.510 -1.808 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.855 -1.341 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.576 -2.692 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.868 -3.016 0.584 1.00 0.00 H new ATOM 344 N LYS A 21 6.511 -4.641 -0.172 1.00 0.00 N ATOM 345 CA LYS A 21 7.360 -5.405 0.735 1.00 0.00 C ATOM 346 C LYS A 21 7.106 -5.005 2.184 1.00 0.00 C ATOM 347 O LYS A 21 6.690 -3.880 2.464 1.00 0.00 O ATOM 348 CB LYS A 21 8.835 -5.194 0.388 1.00 0.00 C ATOM 349 CG LYS A 21 9.282 -5.946 -0.855 1.00 0.00 C ATOM 350 CD LYS A 21 10.570 -5.370 -1.421 1.00 0.00 C ATOM 351 CE LYS A 21 11.502 -6.465 -1.914 1.00 0.00 C ATOM 352 NZ LYS A 21 12.890 -5.966 -2.114 1.00 0.00 N ATOM 0 H LYS A 21 6.981 -3.861 -0.632 1.00 0.00 H new ATOM 0 HA LYS A 21 7.114 -6.460 0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.017 -4.129 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.447 -5.510 1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.429 -6.998 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.498 -5.900 -1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.336 -4.693 -2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.073 -4.780 -0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.511 -7.284 -1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.123 -6.869 -2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.493 -6.743 -2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.886 -5.201 -2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.262 -5.604 -1.213 1.00 0.00 H new ATOM 366 N VAL A 22 7.359 -5.931 3.103 1.00 0.00 N ATOM 367 CA VAL A 22 7.159 -5.671 4.523 1.00 0.00 C ATOM 368 C VAL A 22 8.076 -4.553 5.009 1.00 0.00 C ATOM 369 O VAL A 22 9.285 -4.586 4.782 1.00 0.00 O ATOM 370 CB VAL A 22 7.413 -6.937 5.365 1.00 0.00 C ATOM 371 CG1 VAL A 22 8.849 -7.412 5.203 1.00 0.00 C ATOM 372 CG2 VAL A 22 7.090 -6.680 6.830 1.00 0.00 C ATOM 0 H VAL A 22 7.703 -6.867 2.890 1.00 0.00 H new ATOM 0 HA VAL A 22 6.121 -5.364 4.649 1.00 0.00 H new ATOM 0 HB VAL A 22 6.753 -7.726 5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.007 -8.306 5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.040 -7.642 4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.531 -6.628 5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.276 -7.585 7.408 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.721 -5.874 7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.042 -6.396 6.927 1.00 0.00 H new ATOM 382 N GLY A 23 7.492 -3.564 5.677 1.00 0.00 N ATOM 383 CA GLY A 23 8.274 -2.451 6.184 1.00 0.00 C ATOM 384 C GLY A 23 8.242 -1.242 5.266 1.00 0.00 C ATOM 385 O GLY A 23 8.770 -0.184 5.609 1.00 0.00 O ATOM 0 H GLY A 23 6.493 -3.513 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.897 -2.166 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.307 -2.771 6.320 1.00 0.00 H new ATOM 389 N ASP A 24 7.625 -1.393 4.097 1.00 0.00 N ATOM 390 CA ASP A 24 7.535 -0.300 3.136 1.00 0.00 C ATOM 391 C ASP A 24 6.267 0.519 3.361 1.00 0.00 C ATOM 392 O ASP A 24 5.182 -0.035 3.537 1.00 0.00 O ATOM 393 CB ASP A 24 7.562 -0.847 1.706 1.00 0.00 C ATOM 394 CG ASP A 24 8.828 -0.465 0.964 1.00 0.00 C ATOM 395 OD1 ASP A 24 9.055 0.746 0.762 1.00 0.00 O ATOM 396 OD2 ASP A 24 9.592 -1.378 0.586 1.00 0.00 O ATOM 0 H ASP A 24 7.181 -2.260 3.794 1.00 0.00 H new ATOM 0 HA ASP A 24 8.396 0.353 3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.474 -1.933 1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.697 -0.471 1.160 1.00 0.00 H new ATOM 401 N ILE A 25 6.411 1.840 3.352 1.00 0.00 N ATOM 402 CA ILE A 25 5.277 2.734 3.555 1.00 0.00 C ATOM 403 C ILE A 25 4.763 3.278 2.226 1.00 0.00 C ATOM 404 O ILE A 25 5.546 3.611 1.337 1.00 0.00 O ATOM 405 CB ILE A 25 5.642 3.918 4.472 1.00 0.00 C ATOM 406 CG1 ILE A 25 6.471 3.436 5.666 1.00 0.00 C ATOM 407 CG2 ILE A 25 4.380 4.627 4.942 1.00 0.00 C ATOM 408 CD1 ILE A 25 6.755 4.518 6.686 1.00 0.00 C ATOM 0 H ILE A 25 7.302 2.315 3.206 1.00 0.00 H new ATOM 0 HA ILE A 25 4.496 2.144 4.034 1.00 0.00 H new ATOM 0 HB ILE A 25 6.245 4.627 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.944 2.617 6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.417 3.035 5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.651 5.461 5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.830 5.001 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.754 3.927 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.346 4.103 7.502 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.309 5.328 6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.814 4.903 7.079 1.00 0.00 H new ATOM 420 N ILE A 26 3.443 3.366 2.099 1.00 0.00 N ATOM 421 CA ILE A 26 2.826 3.871 0.879 1.00 0.00 C ATOM 422 C ILE A 26 1.738 4.892 1.195 1.00 0.00 C ATOM 423 O ILE A 26 0.826 4.620 1.976 1.00 0.00 O ATOM 424 CB ILE A 26 2.216 2.730 0.043 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.204 1.568 -0.075 1.00 0.00 C ATOM 426 CG2 ILE A 26 1.820 3.237 -1.336 1.00 0.00 C ATOM 427 CD1 ILE A 26 3.051 0.532 1.018 1.00 0.00 C ATOM 0 H ILE A 26 2.781 3.094 2.826 1.00 0.00 H new ATOM 0 HA ILE A 26 3.616 4.352 0.302 1.00 0.00 H new ATOM 0 HB ILE A 26 1.320 2.370 0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.071 1.085 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.220 1.962 -0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.391 2.419 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.084 4.034 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.701 3.621 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.783 -0.262 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.213 1.001 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.046 0.111 0.982 1.00 0.00 H new ATOM 439 N ASP A 27 1.841 6.068 0.584 1.00 0.00 N ATOM 440 CA ASP A 27 0.866 7.130 0.801 1.00 0.00 C ATOM 441 C ASP A 27 -0.353 6.943 -0.097 1.00 0.00 C ATOM 442 O ASP A 27 -0.234 6.899 -1.321 1.00 0.00 O ATOM 443 CB ASP A 27 1.501 8.496 0.538 1.00 0.00 C ATOM 444 CG ASP A 27 0.603 9.643 0.958 1.00 0.00 C ATOM 445 OD1 ASP A 27 -0.278 10.029 0.161 1.00 0.00 O ATOM 446 OD2 ASP A 27 0.779 10.153 2.084 1.00 0.00 O ATOM 0 H ASP A 27 2.590 6.309 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 27 0.540 7.082 1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.447 8.563 1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.731 8.588 -0.524 1.00 0.00 H new ATOM 451 N ILE A 28 -1.526 6.835 0.520 1.00 0.00 N ATOM 452 CA ILE A 28 -2.767 6.655 -0.224 1.00 0.00 C ATOM 453 C ILE A 28 -3.354 7.999 -0.642 1.00 0.00 C ATOM 454 O ILE A 28 -3.392 8.943 0.147 1.00 0.00 O ATOM 455 CB ILE A 28 -3.818 5.882 0.597 1.00 0.00 C ATOM 456 CG1 ILE A 28 -4.002 6.529 1.979 1.00 0.00 C ATOM 457 CG2 ILE A 28 -3.427 4.415 0.717 1.00 0.00 C ATOM 458 CD1 ILE A 28 -3.155 5.914 3.078 1.00 0.00 C ATOM 0 H ILE A 28 -1.642 6.869 1.533 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.518 6.074 -1.112 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.775 5.930 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.764 7.590 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.052 6.457 2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.180 3.884 1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.360 3.974 -0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.461 4.336 1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.348 6.431 4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.408 4.859 3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.100 6.010 2.821 1.00 0.00 H new ATOM 470 N ASN A 29 -3.809 8.078 -1.888 1.00 0.00 N ATOM 471 CA ASN A 29 -4.394 9.308 -2.410 1.00 0.00 C ATOM 472 C ASN A 29 -5.915 9.203 -2.474 1.00 0.00 C ATOM 473 O ASN A 29 -6.627 10.120 -2.065 1.00 0.00 O ATOM 474 CB ASN A 29 -3.828 9.616 -3.799 1.00 0.00 C ATOM 475 CG ASN A 29 -3.190 10.989 -3.873 1.00 0.00 C ATOM 476 OD1 ASN A 29 -3.841 11.971 -4.229 1.00 0.00 O ATOM 477 ND2 ASN A 29 -1.908 11.064 -3.534 1.00 0.00 N ATOM 0 H ASN A 29 -3.784 7.306 -2.554 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.135 10.122 -1.733 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.088 8.860 -4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.628 9.550 -4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.425 11.962 -3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.407 10.224 -3.245 1.00 0.00 H new ATOM 484 N GLU A 30 -6.405 8.081 -2.992 1.00 0.00 N ATOM 485 CA GLU A 30 -7.842 7.859 -3.109 1.00 0.00 C ATOM 486 C GLU A 30 -8.144 6.400 -3.436 1.00 0.00 C ATOM 487 O GLU A 30 -7.259 5.649 -3.845 1.00 0.00 O ATOM 488 CB GLU A 30 -8.432 8.767 -4.190 1.00 0.00 C ATOM 489 CG GLU A 30 -7.811 8.562 -5.562 1.00 0.00 C ATOM 490 CD GLU A 30 -7.388 9.864 -6.213 1.00 0.00 C ATOM 491 OE1 GLU A 30 -7.027 10.806 -5.476 1.00 0.00 O ATOM 492 OE2 GLU A 30 -7.417 9.942 -7.459 1.00 0.00 O ATOM 0 H GLU A 30 -5.829 7.313 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.300 8.100 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.505 8.589 -4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.299 9.807 -3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.944 7.908 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.527 8.053 -6.208 1.00 0.00 H new ATOM 499 N GLU A 31 -9.401 6.007 -3.256 1.00 0.00 N ATOM 500 CA GLU A 31 -9.822 4.639 -3.534 1.00 0.00 C ATOM 501 C GLU A 31 -10.050 4.436 -5.029 1.00 0.00 C ATOM 502 O GLU A 31 -10.372 5.379 -5.751 1.00 0.00 O ATOM 503 CB GLU A 31 -11.100 4.309 -2.762 1.00 0.00 C ATOM 504 CG GLU A 31 -11.056 4.733 -1.303 1.00 0.00 C ATOM 505 CD GLU A 31 -12.118 4.049 -0.465 1.00 0.00 C ATOM 506 OE1 GLU A 31 -12.459 2.887 -0.771 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.608 4.675 0.499 1.00 0.00 O ATOM 0 H GLU A 31 -10.146 6.617 -2.919 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.028 3.967 -3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.945 4.797 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.279 3.235 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.072 4.506 -0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.187 5.813 -1.238 1.00 0.00 H new ATOM 514 N VAL A 32 -9.877 3.201 -5.487 1.00 0.00 N ATOM 515 CA VAL A 32 -10.063 2.877 -6.897 1.00 0.00 C ATOM 516 C VAL A 32 -11.169 1.845 -7.087 1.00 0.00 C ATOM 517 O VAL A 32 -12.209 2.137 -7.678 1.00 0.00 O ATOM 518 CB VAL A 32 -8.764 2.340 -7.526 1.00 0.00 C ATOM 519 CG1 VAL A 32 -8.906 2.231 -9.037 1.00 0.00 C ATOM 520 CG2 VAL A 32 -7.583 3.226 -7.156 1.00 0.00 C ATOM 0 H VAL A 32 -9.609 2.409 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.346 3.803 -7.397 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.577 1.342 -7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.978 1.850 -9.463 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.722 1.550 -9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.120 3.215 -9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.675 2.830 -7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.759 4.238 -7.520 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.468 3.245 -6.072 1.00 0.00 H new ATOM 530 N GLU A 33 -10.936 0.636 -6.586 1.00 0.00 N ATOM 531 CA GLU A 33 -11.913 -0.442 -6.704 1.00 0.00 C ATOM 532 C GLU A 33 -12.336 -0.949 -5.330 1.00 0.00 C ATOM 533 O GLU A 33 -11.650 -0.721 -4.334 1.00 0.00 O ATOM 534 CB GLU A 33 -11.332 -1.593 -7.527 1.00 0.00 C ATOM 535 CG GLU A 33 -11.591 -1.467 -9.018 1.00 0.00 C ATOM 536 CD GLU A 33 -10.541 -0.632 -9.724 1.00 0.00 C ATOM 537 OE1 GLU A 33 -9.362 -1.044 -9.733 1.00 0.00 O ATOM 538 OE2 GLU A 33 -10.898 0.434 -10.269 1.00 0.00 O ATOM 0 H GLU A 33 -10.080 0.378 -6.095 1.00 0.00 H new ATOM 0 HA GLU A 33 -12.793 -0.047 -7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.257 -1.643 -7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.755 -2.532 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.619 -2.461 -9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.572 -1.019 -9.176 1.00 0.00 H new ATOM 545 N GLU A 34 -13.470 -1.642 -5.285 1.00 0.00 N ATOM 546 CA GLU A 34 -13.985 -2.186 -4.034 1.00 0.00 C ATOM 547 C GLU A 34 -13.004 -3.192 -3.441 1.00 0.00 C ATOM 548 O GLU A 34 -12.783 -4.264 -4.005 1.00 0.00 O ATOM 549 CB GLU A 34 -15.343 -2.852 -4.263 1.00 0.00 C ATOM 550 CG GLU A 34 -16.329 -1.978 -5.020 1.00 0.00 C ATOM 551 CD GLU A 34 -17.362 -1.341 -4.110 1.00 0.00 C ATOM 552 OE1 GLU A 34 -17.715 -1.963 -3.086 1.00 0.00 O ATOM 553 OE2 GLU A 34 -17.819 -0.222 -4.423 1.00 0.00 O ATOM 0 H GLU A 34 -14.049 -1.840 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.109 -1.364 -3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.195 -3.780 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.774 -3.120 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.784 -1.196 -5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.836 -2.579 -5.775 1.00 0.00 H new ATOM 560 N GLY A 35 -12.416 -2.838 -2.304 1.00 0.00 N ATOM 561 CA GLY A 35 -11.462 -3.720 -1.658 1.00 0.00 C ATOM 562 C GLY A 35 -10.064 -3.577 -2.228 1.00 0.00 C ATOM 563 O GLY A 35 -9.228 -4.468 -2.071 1.00 0.00 O ATOM 0 H GLY A 35 -12.583 -1.957 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.439 -3.506 -0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.793 -4.753 -1.769 1.00 0.00 H new ATOM 567 N TRP A 36 -9.808 -2.452 -2.890 1.00 0.00 N ATOM 568 CA TRP A 36 -8.502 -2.193 -3.485 1.00 0.00 C ATOM 569 C TRP A 36 -8.179 -0.703 -3.445 1.00 0.00 C ATOM 570 O TRP A 36 -8.914 0.116 -3.996 1.00 0.00 O ATOM 571 CB TRP A 36 -8.463 -2.695 -4.931 1.00 0.00 C ATOM 572 CG TRP A 36 -9.116 -4.031 -5.118 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.428 -4.266 -5.415 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.488 -5.315 -5.023 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.654 -5.618 -5.510 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.480 -6.283 -5.274 1.00 0.00 C ATOM 577 CE3 TRP A 36 -7.184 -5.741 -4.751 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -9.208 -7.649 -5.261 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -6.916 -7.098 -4.738 1.00 0.00 C ATOM 580 CH2 TRP A 36 -7.924 -8.037 -4.992 1.00 0.00 C ATOM 0 H TRP A 36 -10.489 -1.705 -3.028 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.752 -2.730 -2.904 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -8.956 -1.966 -5.574 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.425 -2.758 -5.257 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -11.178 -3.501 -5.555 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.551 -6.056 -5.722 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.401 -5.024 -4.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -9.983 -8.376 -5.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.913 -7.439 -4.529 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.682 -9.089 -4.975 1.00 0.00 H new ATOM 591 N TRP A 37 -7.077 -0.356 -2.786 1.00 0.00 N ATOM 592 CA TRP A 37 -6.662 1.037 -2.673 1.00 0.00 C ATOM 593 C TRP A 37 -5.380 1.292 -3.459 1.00 0.00 C ATOM 594 O TRP A 37 -4.642 0.361 -3.782 1.00 0.00 O ATOM 595 CB TRP A 37 -6.457 1.411 -1.204 1.00 0.00 C ATOM 596 CG TRP A 37 -7.731 1.749 -0.493 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.969 1.225 -0.735 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.894 2.688 0.576 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.891 1.780 0.119 1.00 0.00 N ATOM 600 CE2 TRP A 37 -9.256 2.681 0.933 1.00 0.00 C ATOM 601 CE3 TRP A 37 -7.021 3.534 1.267 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -9.763 3.487 1.950 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -7.526 4.333 2.275 1.00 0.00 C ATOM 604 CH2 TRP A 37 -8.886 4.304 2.609 1.00 0.00 C ATOM 0 H TRP A 37 -6.457 -1.020 -2.323 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.452 1.659 -3.094 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.972 0.581 -0.690 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.779 2.263 -1.145 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.191 0.483 -1.488 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.886 1.558 0.143 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.971 3.562 1.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.811 3.467 2.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.861 4.991 2.814 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.249 4.940 3.403 1.00 0.00 H new ATOM 615 N SER A 38 -5.121 2.560 -3.762 1.00 0.00 N ATOM 616 CA SER A 38 -3.928 2.941 -4.509 1.00 0.00 C ATOM 617 C SER A 38 -2.944 3.689 -3.614 1.00 0.00 C ATOM 618 O SER A 38 -3.328 4.258 -2.593 1.00 0.00 O ATOM 619 CB SER A 38 -4.309 3.810 -5.710 1.00 0.00 C ATOM 620 OG SER A 38 -3.651 3.371 -6.886 1.00 0.00 O ATOM 0 H SER A 38 -5.722 3.342 -3.501 1.00 0.00 H new ATOM 0 HA SER A 38 -3.446 2.032 -4.868 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.388 3.777 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.047 4.849 -5.509 1.00 0.00 H new ATOM 0 HG SER A 38 -3.912 3.941 -7.639 1.00 0.00 H new ATOM 626 N GLY A 39 -1.673 3.683 -4.005 1.00 0.00 N ATOM 627 CA GLY A 39 -0.656 4.364 -3.226 1.00 0.00 C ATOM 628 C GLY A 39 0.589 4.670 -4.036 1.00 0.00 C ATOM 629 O GLY A 39 0.717 4.233 -5.179 1.00 0.00 O ATOM 0 H GLY A 39 -1.330 3.219 -4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.067 5.294 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.385 3.747 -2.369 1.00 0.00 H new ATOM 633 N THR A 40 1.508 5.424 -3.441 1.00 0.00 N ATOM 634 CA THR A 40 2.749 5.790 -4.114 1.00 0.00 C ATOM 635 C THR A 40 3.944 5.617 -3.181 1.00 0.00 C ATOM 636 O THR A 40 3.804 5.675 -1.960 1.00 0.00 O ATOM 637 CB THR A 40 2.679 7.235 -4.608 1.00 0.00 C ATOM 638 OG1 THR A 40 1.553 7.425 -5.446 1.00 0.00 O ATOM 639 CG2 THR A 40 3.906 7.663 -5.383 1.00 0.00 C ATOM 0 H THR A 40 1.417 5.793 -2.495 1.00 0.00 H new ATOM 0 HA THR A 40 2.879 5.127 -4.970 1.00 0.00 H new ATOM 0 HB THR A 40 2.608 7.845 -3.707 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.525 8.356 -5.750 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.791 8.698 -5.704 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.787 7.576 -4.747 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.026 7.023 -6.257 1.00 0.00 H new ATOM 647 N LEU A 41 5.119 5.404 -3.766 1.00 0.00 N ATOM 648 CA LEU A 41 6.339 5.223 -2.987 1.00 0.00 C ATOM 649 C LEU A 41 7.409 6.225 -3.412 1.00 0.00 C ATOM 650 O LEU A 41 7.683 7.193 -2.704 1.00 0.00 O ATOM 651 CB LEU A 41 6.867 3.797 -3.151 1.00 0.00 C ATOM 652 CG LEU A 41 6.007 2.710 -2.503 1.00 0.00 C ATOM 653 CD1 LEU A 41 4.904 2.266 -3.451 1.00 0.00 C ATOM 654 CD2 LEU A 41 6.868 1.526 -2.091 1.00 0.00 C ATOM 0 H LEU A 41 5.252 5.353 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 41 6.099 5.396 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.959 3.580 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.870 3.746 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 41 5.543 3.125 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.303 1.493 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.270 3.118 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.347 1.868 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.241 0.762 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.360 1.111 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.621 1.855 -1.375 1.00 0.00 H new ATOM 666 N ASN A 42 8.009 5.984 -4.573 1.00 0.00 N ATOM 667 CA ASN A 42 9.048 6.864 -5.093 1.00 0.00 C ATOM 668 C ASN A 42 8.913 7.031 -6.603 1.00 0.00 C ATOM 669 O ASN A 42 8.749 8.144 -7.103 1.00 0.00 O ATOM 670 CB ASN A 42 10.433 6.312 -4.751 1.00 0.00 C ATOM 671 CG ASN A 42 10.809 6.553 -3.302 1.00 0.00 C ATOM 672 OD1 ASN A 42 11.470 7.539 -2.976 1.00 0.00 O ATOM 673 ND2 ASN A 42 10.388 5.650 -2.423 1.00 0.00 N ATOM 0 H ASN A 42 7.793 5.187 -5.171 1.00 0.00 H new ATOM 0 HA ASN A 42 8.929 7.841 -4.625 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.456 5.242 -4.956 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.177 6.777 -5.399 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.610 5.759 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.842 4.848 -2.738 1.00 0.00 H new ATOM 680 N ASN A 43 8.980 5.917 -7.325 1.00 0.00 N ATOM 681 CA ASN A 43 8.863 5.940 -8.778 1.00 0.00 C ATOM 682 C ASN A 43 8.026 4.765 -9.282 1.00 0.00 C ATOM 683 O ASN A 43 8.101 4.397 -10.454 1.00 0.00 O ATOM 684 CB ASN A 43 10.250 5.905 -9.422 1.00 0.00 C ATOM 685 CG ASN A 43 10.304 6.688 -10.720 1.00 0.00 C ATOM 686 OD1 ASN A 43 9.418 6.572 -11.566 1.00 0.00 O ATOM 687 ND2 ASN A 43 11.350 7.490 -10.883 1.00 0.00 N ATOM 0 H ASN A 43 9.115 4.987 -6.927 1.00 0.00 H new ATOM 0 HA ASN A 43 8.360 6.865 -9.060 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.982 6.312 -8.724 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.533 4.870 -9.613 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.442 8.041 -11.736 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.061 7.555 -10.155 1.00 0.00 H new ATOM 694 N LYS A 44 7.228 4.181 -8.391 1.00 0.00 N ATOM 695 CA LYS A 44 6.380 3.051 -8.752 1.00 0.00 C ATOM 696 C LYS A 44 4.932 3.309 -8.344 1.00 0.00 C ATOM 697 O LYS A 44 4.661 3.751 -7.228 1.00 0.00 O ATOM 698 CB LYS A 44 6.894 1.770 -8.091 1.00 0.00 C ATOM 699 CG LYS A 44 7.291 0.692 -9.085 1.00 0.00 C ATOM 700 CD LYS A 44 7.715 -0.587 -8.382 1.00 0.00 C ATOM 701 CE LYS A 44 8.656 -1.412 -9.244 1.00 0.00 C ATOM 702 NZ LYS A 44 8.766 -2.816 -8.761 1.00 0.00 N ATOM 0 H LYS A 44 7.152 4.472 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 44 6.416 2.929 -9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.754 2.013 -7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.122 1.377 -7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.453 0.482 -9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.109 1.054 -9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.205 -0.340 -7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.833 -1.178 -8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.300 -1.410 -10.274 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.644 -0.951 -9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.417 -3.345 -9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.130 -2.820 -7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.828 -3.265 -8.782 1.00 0.00 H new ATOM 716 N LEU A 45 4.006 3.028 -9.255 1.00 0.00 N ATOM 717 CA LEU A 45 2.587 3.230 -8.990 1.00 0.00 C ATOM 718 C LEU A 45 1.775 2.008 -9.409 1.00 0.00 C ATOM 719 O LEU A 45 2.007 1.431 -10.471 1.00 0.00 O ATOM 720 CB LEU A 45 2.080 4.471 -9.728 1.00 0.00 C ATOM 721 CG LEU A 45 0.822 5.108 -9.136 1.00 0.00 C ATOM 722 CD1 LEU A 45 1.192 6.169 -8.112 1.00 0.00 C ATOM 723 CD2 LEU A 45 -0.040 5.706 -10.239 1.00 0.00 C ATOM 0 H LEU A 45 4.213 2.660 -10.183 1.00 0.00 H new ATOM 0 HA LEU A 45 2.461 3.377 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.875 5.217 -9.741 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.879 4.201 -10.765 1.00 0.00 H new ATOM 0 HG LEU A 45 0.247 4.332 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.284 6.611 -7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.769 5.713 -7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.789 6.945 -8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.931 6.155 -9.801 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.528 6.470 -10.771 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.334 4.922 -10.936 1.00 0.00 H new ATOM 735 N GLY A 46 0.822 1.620 -8.567 1.00 0.00 N ATOM 736 CA GLY A 46 -0.009 0.469 -8.868 1.00 0.00 C ATOM 737 C GLY A 46 -1.100 0.256 -7.837 1.00 0.00 C ATOM 738 O GLY A 46 -1.178 0.984 -6.847 1.00 0.00 O ATOM 0 H GLY A 46 0.611 2.082 -7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.462 0.599 -9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.616 -0.423 -8.921 1.00 0.00 H new ATOM 742 N LEU A 47 -1.945 -0.743 -8.069 1.00 0.00 N ATOM 743 CA LEU A 47 -3.038 -1.049 -7.153 1.00 0.00 C ATOM 744 C LEU A 47 -2.816 -2.396 -6.471 1.00 0.00 C ATOM 745 O LEU A 47 -2.220 -3.305 -7.048 1.00 0.00 O ATOM 746 CB LEU A 47 -4.372 -1.056 -7.901 1.00 0.00 C ATOM 747 CG LEU A 47 -4.694 0.232 -8.661 1.00 0.00 C ATOM 748 CD1 LEU A 47 -5.546 -0.068 -9.884 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.400 1.225 -7.749 1.00 0.00 C ATOM 0 H LEU A 47 -1.894 -1.355 -8.884 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.064 -0.274 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.371 -1.886 -8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.172 -1.247 -7.185 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.757 0.677 -8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.765 0.860 -10.412 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.006 -0.744 -10.547 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.479 -0.536 -9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.622 2.136 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.329 0.787 -7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.755 1.464 -6.903 1.00 0.00 H new ATOM 761 N PHE A 48 -3.301 -2.515 -5.239 1.00 0.00 N ATOM 762 CA PHE A 48 -3.156 -3.751 -4.475 1.00 0.00 C ATOM 763 C PHE A 48 -4.239 -3.857 -3.405 1.00 0.00 C ATOM 764 O PHE A 48 -4.897 -2.870 -3.075 1.00 0.00 O ATOM 765 CB PHE A 48 -1.770 -3.828 -3.824 1.00 0.00 C ATOM 766 CG PHE A 48 -1.148 -2.488 -3.546 1.00 0.00 C ATOM 767 CD1 PHE A 48 -1.901 -1.457 -3.008 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.190 -2.263 -3.823 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.330 -0.225 -2.752 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.767 -1.033 -3.569 1.00 0.00 C ATOM 771 CZ PHE A 48 0.006 -0.013 -3.033 1.00 0.00 C ATOM 0 H PHE A 48 -3.798 -1.772 -4.748 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.265 -4.586 -5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.850 -4.381 -2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.106 -4.397 -4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.946 -1.618 -2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.789 -3.058 -4.242 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.927 0.571 -2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.812 -0.870 -3.789 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.455 0.949 -2.834 1.00 0.00 H new ATOM 781 N PRO A 49 -4.440 -5.064 -2.845 1.00 0.00 N ATOM 782 CA PRO A 49 -5.450 -5.295 -1.806 1.00 0.00 C ATOM 783 C PRO A 49 -5.215 -4.437 -0.567 1.00 0.00 C ATOM 784 O PRO A 49 -4.163 -4.517 0.067 1.00 0.00 O ATOM 785 CB PRO A 49 -5.292 -6.783 -1.465 1.00 0.00 C ATOM 786 CG PRO A 49 -3.944 -7.161 -1.976 1.00 0.00 C ATOM 787 CD PRO A 49 -3.702 -6.293 -3.176 1.00 0.00 C ATOM 0 HA PRO A 49 -6.450 -5.031 -2.151 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.367 -6.951 -0.391 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.073 -7.380 -1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.179 -7.000 -1.217 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.910 -8.217 -2.244 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.640 -6.099 -3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.075 -6.754 -4.090 1.00 0.00 H new ATOM 795 N SER A 50 -6.205 -3.618 -0.230 1.00 0.00 N ATOM 796 CA SER A 50 -6.115 -2.742 0.934 1.00 0.00 C ATOM 797 C SER A 50 -6.033 -3.549 2.228 1.00 0.00 C ATOM 798 O SER A 50 -5.605 -3.037 3.262 1.00 0.00 O ATOM 799 CB SER A 50 -7.320 -1.801 0.982 1.00 0.00 C ATOM 800 OG SER A 50 -6.937 -0.501 1.394 1.00 0.00 O ATOM 0 H SER A 50 -7.081 -3.542 -0.747 1.00 0.00 H new ATOM 0 HA SER A 50 -5.202 -2.153 0.841 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.786 -1.751 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.068 -2.198 1.669 1.00 0.00 H new ATOM 0 HG SER A 50 -7.417 0.166 0.861 1.00 0.00 H new ATOM 806 N ASN A 51 -6.452 -4.810 2.167 1.00 0.00 N ATOM 807 CA ASN A 51 -6.431 -5.679 3.338 1.00 0.00 C ATOM 808 C ASN A 51 -5.006 -5.883 3.848 1.00 0.00 C ATOM 809 O ASN A 51 -4.795 -6.147 5.031 1.00 0.00 O ATOM 810 CB ASN A 51 -7.062 -7.031 3.005 1.00 0.00 C ATOM 811 CG ASN A 51 -7.187 -7.927 4.222 1.00 0.00 C ATOM 812 OD1 ASN A 51 -8.254 -8.026 4.828 1.00 0.00 O ATOM 813 ND2 ASN A 51 -6.093 -8.584 4.587 1.00 0.00 N ATOM 0 H ASN A 51 -6.810 -5.252 1.320 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.010 -5.196 4.125 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.050 -6.871 2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.460 -7.533 2.248 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.116 -9.201 5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.230 -8.472 4.055 1.00 0.00 H new ATOM 820 N PHE A 52 -4.032 -5.757 2.952 1.00 0.00 N ATOM 821 CA PHE A 52 -2.632 -5.927 3.324 1.00 0.00 C ATOM 822 C PHE A 52 -2.148 -4.746 4.165 1.00 0.00 C ATOM 823 O PHE A 52 -2.196 -4.801 5.393 1.00 0.00 O ATOM 824 CB PHE A 52 -1.763 -6.086 2.074 1.00 0.00 C ATOM 825 CG PHE A 52 -1.529 -7.518 1.683 1.00 0.00 C ATOM 826 CD1 PHE A 52 -2.476 -8.213 0.950 1.00 0.00 C ATOM 827 CD2 PHE A 52 -0.361 -8.167 2.049 1.00 0.00 C ATOM 828 CE1 PHE A 52 -2.264 -9.530 0.589 1.00 0.00 C ATOM 829 CE2 PHE A 52 -0.142 -9.484 1.691 1.00 0.00 C ATOM 830 CZ PHE A 52 -1.095 -10.166 0.960 1.00 0.00 C ATOM 0 H PHE A 52 -4.185 -5.539 1.968 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.545 -6.832 3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.237 -5.564 1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.801 -5.603 2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.391 -7.720 0.657 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.387 -7.638 2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.011 -10.061 0.018 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.773 -9.979 1.982 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.927 -11.195 0.679 1.00 0.00 H new ATOM 840 N VAL A 53 -1.682 -3.687 3.487 1.00 0.00 N ATOM 841 CA VAL A 53 -1.182 -2.461 4.132 1.00 0.00 C ATOM 842 C VAL A 53 -1.604 -2.330 5.596 1.00 0.00 C ATOM 843 O VAL A 53 -2.710 -2.717 5.974 1.00 0.00 O ATOM 844 CB VAL A 53 -1.650 -1.207 3.372 1.00 0.00 C ATOM 845 CG1 VAL A 53 -0.987 -1.132 2.005 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.165 -1.198 3.239 1.00 0.00 C ATOM 0 H VAL A 53 -1.641 -3.656 2.468 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.095 -2.541 4.102 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.353 -0.327 3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.330 -0.239 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.095 -1.087 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.250 -2.016 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.478 -0.304 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.487 -2.084 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.617 -1.200 4.231 1.00 0.00 H new ATOM 856 N LYS A 54 -0.725 -1.756 6.413 1.00 0.00 N ATOM 857 CA LYS A 54 -1.021 -1.562 7.826 1.00 0.00 C ATOM 858 C LYS A 54 -0.889 -0.096 8.225 1.00 0.00 C ATOM 859 O LYS A 54 0.143 0.532 7.994 1.00 0.00 O ATOM 860 CB LYS A 54 -0.111 -2.427 8.701 1.00 0.00 C ATOM 861 CG LYS A 54 -0.812 -2.996 9.924 1.00 0.00 C ATOM 862 CD LYS A 54 -0.274 -2.390 11.212 1.00 0.00 C ATOM 863 CE LYS A 54 0.689 -3.333 11.917 1.00 0.00 C ATOM 864 NZ LYS A 54 2.078 -2.796 11.939 1.00 0.00 N ATOM 0 H LYS A 54 0.193 -1.419 6.121 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.055 -1.869 7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.283 -3.248 8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.742 -1.831 9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.883 -2.806 9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.681 -4.078 9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.233 -1.452 10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.104 -2.153 11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.349 -3.501 12.939 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.682 -4.301 11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.702 -3.469 12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.413 -2.659 10.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.090 -1.885 12.440 1.00 0.00 H new ATOM 878 N GLU A 55 -1.945 0.442 8.829 1.00 0.00 N ATOM 879 CA GLU A 55 -1.954 1.833 9.266 1.00 0.00 C ATOM 880 C GLU A 55 -1.016 2.041 10.450 1.00 0.00 C ATOM 881 O GLU A 55 -0.987 1.235 11.380 1.00 0.00 O ATOM 882 CB GLU A 55 -3.373 2.262 9.644 1.00 0.00 C ATOM 883 CG GLU A 55 -4.338 2.277 8.469 1.00 0.00 C ATOM 884 CD GLU A 55 -5.501 1.321 8.655 1.00 0.00 C ATOM 885 OE1 GLU A 55 -6.366 1.598 9.512 1.00 0.00 O ATOM 886 OE2 GLU A 55 -5.545 0.294 7.945 1.00 0.00 O ATOM 0 H GLU A 55 -2.807 -0.066 9.027 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.603 2.448 8.437 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.756 1.587 10.409 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.337 3.258 10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.722 3.288 8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.799 2.015 7.558 1.00 0.00 H new ATOM 893 N LEU A 56 -0.251 3.128 10.409 1.00 0.00 N ATOM 894 CA LEU A 56 0.688 3.444 11.479 1.00 0.00 C ATOM 895 C LEU A 56 -0.032 3.564 12.819 1.00 0.00 C ATOM 896 O LEU A 56 -1.231 3.301 12.917 1.00 0.00 O ATOM 897 CB LEU A 56 1.430 4.746 11.165 1.00 0.00 C ATOM 898 CG LEU A 56 2.813 4.568 10.535 1.00 0.00 C ATOM 899 CD1 LEU A 56 3.786 3.978 11.544 1.00 0.00 C ATOM 900 CD2 LEU A 56 2.725 3.687 9.298 1.00 0.00 C ATOM 0 H LEU A 56 -0.263 3.805 9.646 1.00 0.00 H new ATOM 0 HA LEU A 56 1.409 2.630 11.548 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.815 5.343 10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.539 5.316 12.088 1.00 0.00 H new ATOM 0 HG LEU A 56 3.184 5.548 10.233 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.764 3.858 11.079 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.871 4.646 12.401 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.421 3.006 11.876 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.718 3.571 8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.334 2.708 9.575 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.061 4.150 8.568 1.00 0.00 H new ATOM 912 N GLU A 57 0.708 3.961 13.850 1.00 0.00 N ATOM 913 CA GLU A 57 0.140 4.115 15.184 1.00 0.00 C ATOM 914 C GLU A 57 -0.703 5.382 15.276 1.00 0.00 C ATOM 915 O GLU A 57 -1.734 5.407 15.949 1.00 0.00 O ATOM 916 CB GLU A 57 1.253 4.152 16.233 1.00 0.00 C ATOM 917 CG GLU A 57 0.776 3.823 17.638 1.00 0.00 C ATOM 918 CD GLU A 57 1.922 3.609 18.608 1.00 0.00 C ATOM 919 OE1 GLU A 57 2.802 2.775 18.312 1.00 0.00 O ATOM 920 OE2 GLU A 57 1.938 4.277 19.664 1.00 0.00 O ATOM 0 H GLU A 57 1.702 4.182 13.787 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.505 3.258 15.377 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.033 3.446 15.948 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.706 5.143 16.235 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.143 4.633 18.002 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.159 2.925 17.607 1.00 0.00 H new ATOM 927 N LEU A 58 -0.258 6.432 14.594 1.00 0.00 N ATOM 928 CA LEU A 58 -0.970 7.705 14.597 1.00 0.00 C ATOM 929 C LEU A 58 -1.116 8.245 16.017 1.00 0.00 C ATOM 930 O LEU A 58 -0.644 7.634 16.975 1.00 0.00 O ATOM 931 CB LEU A 58 -2.350 7.543 13.957 1.00 0.00 C ATOM 932 CG LEU A 58 -2.353 7.495 12.428 1.00 0.00 C ATOM 933 CD1 LEU A 58 -2.301 6.056 11.940 1.00 0.00 C ATOM 934 CD2 LEU A 58 -3.581 8.204 11.875 1.00 0.00 C ATOM 0 H LEU A 58 0.593 6.427 14.032 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.388 8.419 14.014 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.804 6.627 14.335 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.983 8.369 14.281 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.465 8.013 12.065 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.304 6.041 10.850 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.392 5.580 12.307 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.170 5.514 12.313 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.567 8.160 10.786 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.482 7.715 12.246 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.575 9.246 12.196 1.00 0.00 H new ATOM 946 N GLU A 59 -1.774 9.393 16.143 1.00 0.00 N ATOM 947 CA GLU A 59 -1.983 10.015 17.446 1.00 0.00 C ATOM 948 C GLU A 59 -3.381 10.617 17.543 1.00 0.00 C ATOM 949 O GLU A 59 -3.937 11.084 16.549 1.00 0.00 O ATOM 950 CB GLU A 59 -0.930 11.097 17.693 1.00 0.00 C ATOM 951 CG GLU A 59 -0.835 12.120 16.573 1.00 0.00 C ATOM 952 CD GLU A 59 0.595 12.531 16.280 1.00 0.00 C ATOM 953 OE1 GLU A 59 1.438 12.443 17.198 1.00 0.00 O ATOM 954 OE2 GLU A 59 0.872 12.941 15.133 1.00 0.00 O ATOM 0 H GLU A 59 -2.171 9.911 15.359 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.886 9.243 18.209 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.162 11.612 18.625 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.043 10.623 17.824 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.283 11.707 15.669 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.415 13.003 16.842 1.00 0.00 H new ATOM 961 N HIS A 60 -3.943 10.603 18.747 1.00 0.00 N ATOM 962 CA HIS A 60 -5.277 11.148 18.974 1.00 0.00 C ATOM 963 C HIS A 60 -5.199 12.578 19.499 1.00 0.00 C ATOM 964 O HIS A 60 -5.573 13.504 18.749 1.00 0.00 O ATOM 965 CB HIS A 60 -6.047 10.271 19.963 1.00 0.00 C ATOM 966 CG HIS A 60 -7.488 10.654 20.106 1.00 0.00 C ATOM 967 ND1 HIS A 60 -7.982 11.331 21.201 1.00 0.00 N ATOM 968 CD2 HIS A 60 -8.545 10.452 19.283 1.00 0.00 C ATOM 969 CE1 HIS A 60 -9.279 11.528 21.047 1.00 0.00 C ATOM 970 NE2 HIS A 60 -9.645 11.005 19.891 1.00 0.00 N ATOM 0 H HIS A 60 -3.496 10.221 19.580 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.805 11.159 18.020 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -5.986 9.232 19.639 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.565 10.329 20.939 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.526 9.950 18.327 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.929 12.031 21.747 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.592 11.011 19.511 1.00 0.00 H new TER 979 HIS A 60