USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 493 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 10 MET CE :methyl -154:sc= -0.128 (180deg=-0.649) USER MOD Single : A 16 MET CE :methyl -174:sc= -0.0184 (180deg=-0.0602) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 4:sc= 0.0219 USER MOD Single : A 32 MET CE :methyl -159:sc= 0 (180deg=-0.488) USER MOD Single : A 35 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.3) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -3.64! C(o=-3.6!,f=-3.7!) USER MOD Single : A 44 GLN : amide:sc= -0.0288 K(o=-0.029,f=-1.4!) USER MOD Single : A 46 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.23) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 66 HIS : no HD1:sc= -2.74! K(o=-2.7!,f=-2.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -1.505 -5.927 -17.647 1.00 0.00 N ATOM 67 CA ARG A 8 -2.644 -6.811 -17.431 1.00 0.00 C ATOM 68 C ARG A 8 -3.465 -6.962 -18.708 1.00 0.00 C ATOM 69 O ARG A 8 -3.688 -5.991 -19.431 1.00 0.00 O ATOM 70 CB ARG A 8 -3.528 -6.273 -16.304 1.00 0.00 C ATOM 71 CG ARG A 8 -4.161 -4.927 -16.617 1.00 0.00 C ATOM 72 CD ARG A 8 -4.198 -4.031 -15.389 1.00 0.00 C ATOM 73 NE ARG A 8 -4.955 -2.805 -15.629 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.519 -1.810 -16.394 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.338 -1.896 -16.990 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.265 -0.726 -16.564 1.00 0.00 N ATOM 0 HA ARG A 8 -2.262 -7.792 -17.147 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.316 -6.996 -16.095 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.931 -6.182 -15.397 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.599 -4.435 -17.411 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.174 -5.078 -16.990 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.644 -4.575 -14.556 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.180 -3.777 -15.095 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.868 -2.707 -15.185 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.761 -2.728 -16.862 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.006 -1.131 -17.577 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.174 -0.656 -16.107 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.929 0.037 -17.152 1.00 0.00 H new ATOM 90 N GLU A 9 -3.911 -8.184 -18.979 1.00 0.00 N ATOM 91 CA GLU A 9 -4.705 -8.461 -20.169 1.00 0.00 C ATOM 92 C GLU A 9 -6.146 -8.797 -19.796 1.00 0.00 C ATOM 93 O GLU A 9 -6.408 -9.358 -18.732 1.00 0.00 O ATOM 94 CB GLU A 9 -4.090 -9.615 -20.963 1.00 0.00 C ATOM 95 CG GLU A 9 -2.643 -9.378 -21.360 1.00 0.00 C ATOM 96 CD GLU A 9 -2.169 -10.334 -22.438 1.00 0.00 C ATOM 97 OE1 GLU A 9 -2.370 -11.556 -22.276 1.00 0.00 O ATOM 98 OE2 GLU A 9 -1.598 -9.860 -23.442 1.00 0.00 O ATOM 0 H GLU A 9 -3.736 -8.998 -18.390 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.708 -7.564 -20.789 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.150 -10.527 -20.368 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.682 -9.782 -21.863 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.531 -8.353 -21.714 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.007 -9.484 -20.481 1.00 0.00 H new ATOM 105 N MET A 10 -7.077 -8.450 -20.678 1.00 0.00 N ATOM 106 CA MET A 10 -8.491 -8.715 -20.442 1.00 0.00 C ATOM 107 C MET A 10 -9.027 -9.738 -21.439 1.00 0.00 C ATOM 108 O MET A 10 -8.510 -9.867 -22.548 1.00 0.00 O ATOM 109 CB MET A 10 -9.299 -7.419 -20.539 1.00 0.00 C ATOM 110 CG MET A 10 -8.753 -6.297 -19.671 1.00 0.00 C ATOM 111 SD MET A 10 -7.767 -5.112 -20.607 1.00 0.00 S ATOM 112 CE MET A 10 -8.278 -3.572 -19.848 1.00 0.00 C ATOM 0 H MET A 10 -6.877 -7.984 -21.563 1.00 0.00 H new ATOM 0 HA MET A 10 -8.595 -9.125 -19.437 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.317 -7.088 -21.577 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.331 -7.621 -20.251 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.583 -5.776 -19.193 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.143 -6.723 -18.875 1.00 0.00 H new ATOM 0 HE1 MET A 10 -8.149 -2.756 -20.559 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.327 -3.639 -19.559 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.669 -3.382 -18.964 1.00 0.00 H new ATOM 122 N GLY A 11 -10.066 -10.463 -21.037 1.00 0.00 N ATOM 123 CA GLY A 11 -10.654 -11.464 -21.907 1.00 0.00 C ATOM 124 C GLY A 11 -12.041 -11.880 -21.459 1.00 0.00 C ATOM 125 O GLY A 11 -12.436 -11.626 -20.321 1.00 0.00 O ATOM 0 H GLY A 11 -10.511 -10.375 -20.124 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.706 -11.072 -22.923 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.007 -12.341 -21.936 1.00 0.00 H new ATOM 129 N VAL A 12 -12.783 -12.521 -22.356 1.00 0.00 N ATOM 130 CA VAL A 12 -14.135 -12.973 -22.047 1.00 0.00 C ATOM 131 C VAL A 12 -14.150 -14.453 -21.684 1.00 0.00 C ATOM 132 O VAL A 12 -13.444 -15.259 -22.291 1.00 0.00 O ATOM 133 CB VAL A 12 -15.090 -12.737 -23.232 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.251 -11.248 -23.500 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.587 -13.459 -24.473 1.00 0.00 C ATOM 0 H VAL A 12 -12.471 -12.739 -23.302 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.476 -12.389 -21.193 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.068 -13.143 -22.974 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.929 -11.101 -24.341 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.660 -10.761 -22.615 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.280 -10.814 -23.737 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.274 -13.281 -25.301 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.598 -13.085 -24.736 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.529 -14.529 -24.273 1.00 0.00 H new ATOM 145 N ILE A 13 -14.958 -14.804 -20.689 1.00 0.00 N ATOM 146 CA ILE A 13 -15.066 -16.189 -20.246 1.00 0.00 C ATOM 147 C ILE A 13 -15.758 -17.050 -21.297 1.00 0.00 C ATOM 148 O ILE A 13 -16.879 -16.759 -21.713 1.00 0.00 O ATOM 149 CB ILE A 13 -15.841 -16.296 -18.919 1.00 0.00 C ATOM 150 CG1 ILE A 13 -15.121 -15.514 -17.819 1.00 0.00 C ATOM 151 CG2 ILE A 13 -16.006 -17.755 -18.519 1.00 0.00 C ATOM 152 CD1 ILE A 13 -13.837 -16.165 -17.355 1.00 0.00 C ATOM 0 H ILE A 13 -15.547 -14.149 -20.175 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.050 -16.552 -20.094 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.832 -15.863 -19.057 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.899 -14.511 -18.184 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.791 -15.402 -16.966 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.555 -17.815 -17.580 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.557 -18.285 -19.296 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -15.024 -18.211 -18.395 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.381 -15.555 -16.575 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.054 -17.157 -16.960 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.149 -16.252 -18.196 1.00 0.00 H new ATOM 164 N ALA A 14 -15.082 -18.113 -21.721 1.00 0.00 N ATOM 165 CA ALA A 14 -15.634 -19.020 -22.721 1.00 0.00 C ATOM 166 C ALA A 14 -16.219 -20.267 -22.067 1.00 0.00 C ATOM 167 O ALA A 14 -17.012 -20.984 -22.676 1.00 0.00 O ATOM 168 CB ALA A 14 -14.563 -19.404 -23.731 1.00 0.00 C ATOM 0 H ALA A 14 -14.152 -18.367 -21.388 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.440 -18.503 -23.241 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.988 -20.081 -24.472 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.194 -18.507 -24.229 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.739 -19.899 -23.217 1.00 0.00 H new ATOM 174 N ALA A 15 -15.823 -20.519 -20.824 1.00 0.00 N ATOM 175 CA ALA A 15 -16.310 -21.679 -20.087 1.00 0.00 C ATOM 176 C ALA A 15 -16.100 -21.505 -18.587 1.00 0.00 C ATOM 177 O ALA A 15 -15.159 -20.840 -18.156 1.00 0.00 O ATOM 178 CB ALA A 15 -15.618 -22.943 -20.576 1.00 0.00 C ATOM 0 H ALA A 15 -15.166 -19.935 -20.306 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.381 -21.770 -20.269 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.991 -23.801 -20.017 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.824 -23.083 -21.637 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.543 -22.851 -20.424 1.00 0.00 H new ATOM 184 N MET A 16 -16.984 -22.106 -17.797 1.00 0.00 N ATOM 185 CA MET A 16 -16.894 -22.016 -16.344 1.00 0.00 C ATOM 186 C MET A 16 -17.136 -23.378 -15.700 1.00 0.00 C ATOM 187 O MET A 16 -17.815 -23.480 -14.678 1.00 0.00 O ATOM 188 CB MET A 16 -17.906 -21.000 -15.811 1.00 0.00 C ATOM 189 CG MET A 16 -17.460 -19.556 -15.973 1.00 0.00 C ATOM 190 SD MET A 16 -16.448 -18.982 -14.595 1.00 0.00 S ATOM 191 CE MET A 16 -17.705 -18.688 -13.353 1.00 0.00 C ATOM 0 H MET A 16 -17.770 -22.660 -18.138 1.00 0.00 H new ATOM 0 HA MET A 16 -15.888 -21.685 -16.086 1.00 0.00 H new ATOM 0 HB2 MET A 16 -18.855 -21.139 -16.329 1.00 0.00 H new ATOM 0 HB3 MET A 16 -18.087 -21.200 -14.755 1.00 0.00 H new ATOM 0 HG2 MET A 16 -16.895 -19.456 -16.900 1.00 0.00 H new ATOM 0 HG3 MET A 16 -18.338 -18.917 -16.065 1.00 0.00 H new ATOM 0 HE1 MET A 16 -17.249 -18.228 -12.476 1.00 0.00 H new ATOM 0 HE2 MET A 16 -18.467 -18.022 -13.757 1.00 0.00 H new ATOM 0 HE3 MET A 16 -18.164 -19.635 -13.069 1.00 0.00 H new ATOM 201 N ARG A 17 -16.576 -24.421 -16.304 1.00 0.00 N ATOM 202 CA ARG A 17 -16.732 -25.776 -15.790 1.00 0.00 C ATOM 203 C ARG A 17 -16.711 -25.784 -14.264 1.00 0.00 C ATOM 204 O ARG A 17 -16.075 -24.936 -13.637 1.00 0.00 O ATOM 205 CB ARG A 17 -15.624 -26.681 -16.331 1.00 0.00 C ATOM 206 CG ARG A 17 -15.765 -26.998 -17.811 1.00 0.00 C ATOM 207 CD ARG A 17 -17.171 -27.469 -18.148 1.00 0.00 C ATOM 208 NE ARG A 17 -18.057 -26.355 -18.477 1.00 0.00 N ATOM 209 CZ ARG A 17 -19.326 -26.508 -18.839 1.00 0.00 C ATOM 210 NH1 ARG A 17 -19.855 -27.721 -18.917 1.00 0.00 N ATOM 211 NH2 ARG A 17 -20.068 -25.446 -19.123 1.00 0.00 N ATOM 0 H ARG A 17 -16.010 -24.353 -17.150 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.697 -26.156 -16.125 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.660 -26.202 -16.161 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.620 -27.614 -15.767 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.526 -26.111 -18.398 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.046 -27.768 -18.090 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.130 -28.160 -18.990 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.581 -28.021 -17.302 1.00 0.00 H new ATOM 0 HE ARG A 17 -17.681 -25.408 -18.426 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -19.287 -28.540 -18.699 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -20.830 -27.835 -19.195 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.664 -24.511 -19.064 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -21.042 -25.564 -19.401 1.00 0.00 H new ATOM 225 N ASP A 18 -17.409 -26.747 -13.673 1.00 0.00 N ATOM 226 CA ASP A 18 -17.470 -26.866 -12.220 1.00 0.00 C ATOM 227 C ASP A 18 -16.081 -27.101 -11.636 1.00 0.00 C ATOM 228 O ASP A 18 -15.642 -28.241 -11.489 1.00 0.00 O ATOM 229 CB ASP A 18 -18.405 -28.009 -11.820 1.00 0.00 C ATOM 230 CG ASP A 18 -18.040 -29.318 -12.491 1.00 0.00 C ATOM 231 OD1 ASP A 18 -17.220 -30.068 -11.921 1.00 0.00 O ATOM 232 OD2 ASP A 18 -18.573 -29.593 -13.587 1.00 0.00 O ATOM 0 H ASP A 18 -17.941 -27.457 -14.177 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.860 -25.930 -11.819 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -18.374 -28.138 -10.738 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -19.430 -27.744 -12.080 1.00 0.00 H new ATOM 237 N GLY A 19 -15.392 -26.012 -11.305 1.00 0.00 N ATOM 238 CA GLY A 19 -14.059 -26.121 -10.742 1.00 0.00 C ATOM 239 C GLY A 19 -13.047 -25.264 -11.477 1.00 0.00 C ATOM 240 O GLY A 19 -12.041 -24.848 -10.902 1.00 0.00 O ATOM 0 H GLY A 19 -15.733 -25.057 -11.417 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.086 -25.827 -9.693 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.739 -27.163 -10.773 1.00 0.00 H new ATOM 244 N PHE A 20 -13.313 -25.002 -12.752 1.00 0.00 N ATOM 245 CA PHE A 20 -12.416 -24.191 -13.569 1.00 0.00 C ATOM 246 C PHE A 20 -13.179 -23.506 -14.698 1.00 0.00 C ATOM 247 O PHE A 20 -14.408 -23.456 -14.691 1.00 0.00 O ATOM 248 CB PHE A 20 -11.296 -25.058 -14.147 1.00 0.00 C ATOM 249 CG PHE A 20 -11.778 -26.080 -15.137 1.00 0.00 C ATOM 250 CD1 PHE A 20 -11.875 -25.768 -16.483 1.00 0.00 C ATOM 251 CD2 PHE A 20 -12.137 -27.352 -14.720 1.00 0.00 C ATOM 252 CE1 PHE A 20 -12.318 -26.706 -17.396 1.00 0.00 C ATOM 253 CE2 PHE A 20 -12.581 -28.294 -15.629 1.00 0.00 C ATOM 254 CZ PHE A 20 -12.673 -27.970 -16.968 1.00 0.00 C ATOM 0 H PHE A 20 -14.142 -25.339 -13.242 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.979 -23.422 -12.932 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.562 -24.414 -14.631 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.784 -25.568 -13.331 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.601 -24.780 -16.823 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -12.069 -27.610 -13.673 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -12.387 -26.451 -18.443 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -12.856 -29.283 -15.292 1.00 0.00 H new ATOM 0 HZ PHE A 20 -13.022 -28.704 -17.679 1.00 0.00 H new ATOM 264 N GLY A 21 -12.439 -22.977 -15.668 1.00 0.00 N ATOM 265 CA GLY A 21 -13.062 -22.300 -16.791 1.00 0.00 C ATOM 266 C GLY A 21 -12.060 -21.902 -17.856 1.00 0.00 C ATOM 267 O GLY A 21 -11.012 -22.532 -18.000 1.00 0.00 O ATOM 0 H GLY A 21 -11.420 -23.005 -15.696 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.816 -22.952 -17.232 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.580 -21.410 -16.433 1.00 0.00 H new ATOM 271 N PHE A 22 -12.383 -20.854 -18.607 1.00 0.00 N ATOM 272 CA PHE A 22 -11.504 -20.373 -19.667 1.00 0.00 C ATOM 273 C PHE A 22 -11.753 -18.895 -19.952 1.00 0.00 C ATOM 274 O PHE A 22 -12.870 -18.402 -19.798 1.00 0.00 O ATOM 275 CB PHE A 22 -11.714 -21.192 -20.943 1.00 0.00 C ATOM 276 CG PHE A 22 -10.965 -22.494 -20.949 1.00 0.00 C ATOM 277 CD1 PHE A 22 -9.618 -22.535 -20.627 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.607 -23.677 -21.277 1.00 0.00 C ATOM 279 CE1 PHE A 22 -8.926 -23.732 -20.633 1.00 0.00 C ATOM 280 CE2 PHE A 22 -10.921 -24.877 -21.284 1.00 0.00 C ATOM 281 CZ PHE A 22 -9.579 -24.904 -20.961 1.00 0.00 C ATOM 0 H PHE A 22 -13.247 -20.322 -18.501 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.474 -20.492 -19.332 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.778 -21.394 -21.065 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.402 -20.598 -21.802 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.103 -21.622 -20.368 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -12.657 -23.661 -21.530 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.876 -23.751 -20.381 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -11.434 -25.792 -21.542 1.00 0.00 H new ATOM 0 HZ PHE A 22 -9.041 -25.840 -20.965 1.00 0.00 H new ATOM 291 N ILE A 23 -10.703 -18.194 -20.367 1.00 0.00 N ATOM 292 CA ILE A 23 -10.807 -16.773 -20.673 1.00 0.00 C ATOM 293 C ILE A 23 -10.208 -16.460 -22.040 1.00 0.00 C ATOM 294 O ILE A 23 -8.992 -16.329 -22.183 1.00 0.00 O ATOM 295 CB ILE A 23 -10.101 -15.914 -19.607 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.684 -16.202 -18.222 1.00 0.00 C ATOM 297 CG2 ILE A 23 -10.232 -14.437 -19.946 1.00 0.00 C ATOM 298 CD1 ILE A 23 -9.682 -16.039 -17.100 1.00 0.00 C ATOM 0 H ILE A 23 -9.771 -18.587 -20.499 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.869 -16.529 -20.679 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.042 -16.172 -19.596 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.527 -15.534 -18.045 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.074 -17.220 -18.205 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.728 -13.843 -19.184 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.775 -14.245 -20.917 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.287 -14.164 -19.981 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.164 -16.259 -16.147 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.850 -16.726 -17.253 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.310 -15.015 -17.091 1.00 0.00 H new ATOM 310 N LYS A 24 -11.070 -16.339 -23.044 1.00 0.00 N ATOM 311 CA LYS A 24 -10.628 -16.038 -24.400 1.00 0.00 C ATOM 312 C LYS A 24 -10.137 -14.597 -24.506 1.00 0.00 C ATOM 313 O LYS A 24 -10.924 -13.655 -24.407 1.00 0.00 O ATOM 314 CB LYS A 24 -11.768 -16.273 -25.394 1.00 0.00 C ATOM 315 CG LYS A 24 -11.374 -16.029 -26.841 1.00 0.00 C ATOM 316 CD LYS A 24 -12.445 -16.518 -27.801 1.00 0.00 C ATOM 317 CE LYS A 24 -12.964 -15.390 -28.678 1.00 0.00 C ATOM 318 NZ LYS A 24 -13.819 -15.898 -29.787 1.00 0.00 N ATOM 0 H LYS A 24 -12.080 -16.445 -22.944 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.800 -16.704 -24.641 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.123 -17.298 -25.291 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.602 -15.620 -25.138 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.203 -14.964 -26.998 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.434 -16.538 -27.054 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.038 -17.311 -28.429 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.271 -16.951 -27.237 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.537 -14.691 -28.069 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.122 -14.836 -29.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.153 -15.098 -30.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.265 -16.546 -30.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.636 -16.405 -29.391 1.00 0.00 H new ATOM 332 N CYS A 25 -8.834 -14.435 -24.708 1.00 0.00 N ATOM 333 CA CYS A 25 -8.239 -13.108 -24.828 1.00 0.00 C ATOM 334 C CYS A 25 -8.737 -12.400 -26.083 1.00 0.00 C ATOM 335 O CYS A 25 -9.150 -13.042 -27.049 1.00 0.00 O ATOM 336 CB CYS A 25 -6.713 -13.213 -24.858 1.00 0.00 C ATOM 337 SG CYS A 25 -5.865 -11.863 -24.004 1.00 0.00 S ATOM 0 H CYS A 25 -8.170 -15.205 -24.792 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.539 -12.522 -23.960 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.415 -14.159 -24.406 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.381 -13.238 -25.896 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.743 -11.083 -23.446 1.00 0.00 H new ATOM 343 N VAL A 26 -8.698 -11.071 -26.061 1.00 0.00 N ATOM 344 CA VAL A 26 -9.146 -10.275 -27.197 1.00 0.00 C ATOM 345 C VAL A 26 -8.078 -10.217 -28.283 1.00 0.00 C ATOM 346 O VAL A 26 -8.389 -10.102 -29.469 1.00 0.00 O ATOM 347 CB VAL A 26 -9.505 -8.839 -26.769 1.00 0.00 C ATOM 348 CG1 VAL A 26 -10.808 -8.827 -25.983 1.00 0.00 C ATOM 349 CG2 VAL A 26 -8.375 -8.228 -25.955 1.00 0.00 C ATOM 0 H VAL A 26 -8.361 -10.524 -25.269 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.037 -10.762 -27.593 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.644 -8.234 -27.665 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.046 -7.805 -25.689 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.611 -9.222 -26.605 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.701 -9.445 -25.092 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.645 -7.214 -25.661 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.202 -8.830 -25.063 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.466 -8.201 -26.557 1.00 0.00 H new ATOM 359 N ASP A 27 -6.818 -10.299 -27.871 1.00 0.00 N ATOM 360 CA ASP A 27 -5.702 -10.258 -28.809 1.00 0.00 C ATOM 361 C ASP A 27 -5.247 -11.667 -29.174 1.00 0.00 C ATOM 362 O ASP A 27 -4.944 -11.951 -30.333 1.00 0.00 O ATOM 363 CB ASP A 27 -4.535 -9.470 -28.212 1.00 0.00 C ATOM 364 CG ASP A 27 -3.403 -9.274 -29.201 1.00 0.00 C ATOM 365 OD1 ASP A 27 -3.535 -8.407 -30.090 1.00 0.00 O ATOM 366 OD2 ASP A 27 -2.385 -9.987 -29.086 1.00 0.00 O ATOM 0 H ASP A 27 -6.544 -10.394 -26.893 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.041 -9.759 -29.717 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.892 -8.497 -27.875 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.159 -9.993 -27.333 1.00 0.00 H new ATOM 371 N ARG A 28 -5.201 -12.545 -28.178 1.00 0.00 N ATOM 372 CA ARG A 28 -4.780 -13.924 -28.394 1.00 0.00 C ATOM 373 C ARG A 28 -5.981 -14.820 -28.683 1.00 0.00 C ATOM 374 O ARG A 28 -7.085 -14.571 -28.199 1.00 0.00 O ATOM 375 CB ARG A 28 -4.024 -14.447 -27.171 1.00 0.00 C ATOM 376 CG ARG A 28 -2.512 -14.376 -27.314 1.00 0.00 C ATOM 377 CD ARG A 28 -1.973 -15.548 -28.118 1.00 0.00 C ATOM 378 NE ARG A 28 -0.550 -15.771 -27.873 1.00 0.00 N ATOM 379 CZ ARG A 28 0.180 -16.658 -28.540 1.00 0.00 C ATOM 380 NH1 ARG A 28 -0.376 -17.401 -29.488 1.00 0.00 N ATOM 381 NH2 ARG A 28 1.469 -16.802 -28.261 1.00 0.00 N ATOM 0 H ARG A 28 -5.450 -12.326 -27.213 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.117 -13.943 -29.259 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.325 -13.872 -26.295 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.315 -15.482 -26.989 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.235 -13.441 -27.801 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.052 -14.369 -26.326 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.530 -16.449 -27.863 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.134 -15.363 -29.180 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.092 -15.215 -27.150 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.366 -17.292 -29.706 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.187 -18.081 -29.999 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.900 -16.231 -27.534 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.029 -17.483 -28.774 1.00 0.00 H new ATOM 395 N ASP A 29 -5.758 -15.862 -29.476 1.00 0.00 N ATOM 396 CA ASP A 29 -6.822 -16.796 -29.830 1.00 0.00 C ATOM 397 C ASP A 29 -6.724 -18.071 -28.998 1.00 0.00 C ATOM 398 O ASP A 29 -6.936 -19.173 -29.505 1.00 0.00 O ATOM 399 CB ASP A 29 -6.755 -17.137 -31.319 1.00 0.00 C ATOM 400 CG ASP A 29 -7.025 -15.934 -32.201 1.00 0.00 C ATOM 401 OD1 ASP A 29 -7.806 -15.054 -31.782 1.00 0.00 O ATOM 402 OD2 ASP A 29 -6.455 -15.872 -33.310 1.00 0.00 O ATOM 0 H ASP A 29 -4.850 -16.082 -29.886 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.778 -16.318 -29.618 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.770 -17.541 -31.552 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.481 -17.918 -31.543 1.00 0.00 H new ATOM 407 N VAL A 30 -6.401 -17.914 -27.718 1.00 0.00 N ATOM 408 CA VAL A 30 -6.275 -19.052 -26.816 1.00 0.00 C ATOM 409 C VAL A 30 -6.829 -18.722 -25.435 1.00 0.00 C ATOM 410 O VAL A 30 -6.737 -17.584 -24.974 1.00 0.00 O ATOM 411 CB VAL A 30 -4.808 -19.498 -26.676 1.00 0.00 C ATOM 412 CG1 VAL A 30 -4.227 -19.858 -28.035 1.00 0.00 C ATOM 413 CG2 VAL A 30 -3.982 -18.410 -26.006 1.00 0.00 C ATOM 0 H VAL A 30 -6.222 -17.009 -27.283 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.854 -19.867 -27.251 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.776 -20.387 -26.046 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.190 -20.171 -27.916 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.804 -20.673 -28.473 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.271 -18.989 -28.691 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.948 -18.742 -25.915 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.020 -17.502 -26.608 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.386 -18.205 -25.014 1.00 0.00 H new ATOM 423 N ARG A 31 -7.402 -19.725 -24.778 1.00 0.00 N ATOM 424 CA ARG A 31 -7.971 -19.541 -23.448 1.00 0.00 C ATOM 425 C ARG A 31 -6.875 -19.505 -22.388 1.00 0.00 C ATOM 426 O ARG A 31 -5.746 -19.930 -22.633 1.00 0.00 O ATOM 427 CB ARG A 31 -8.962 -20.664 -23.135 1.00 0.00 C ATOM 428 CG ARG A 31 -10.066 -20.809 -24.170 1.00 0.00 C ATOM 429 CD ARG A 31 -10.370 -22.271 -24.458 1.00 0.00 C ATOM 430 NE ARG A 31 -11.695 -22.448 -25.046 1.00 0.00 N ATOM 431 CZ ARG A 31 -12.193 -23.630 -25.393 1.00 0.00 C ATOM 432 NH1 ARG A 31 -11.479 -24.733 -25.211 1.00 0.00 N ATOM 433 NH2 ARG A 31 -13.407 -23.711 -25.922 1.00 0.00 N ATOM 0 H ARG A 31 -7.485 -20.673 -25.145 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.497 -18.587 -23.434 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.419 -21.606 -23.061 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.412 -20.478 -22.160 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.968 -20.312 -23.814 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.770 -20.309 -25.092 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.616 -22.672 -25.136 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.304 -22.844 -23.533 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.269 -21.619 -25.199 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.546 -24.675 -24.804 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.863 -25.639 -25.478 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.959 -22.865 -26.063 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.788 -24.619 -26.188 1.00 0.00 H new ATOM 447 N MET A 32 -7.216 -18.994 -21.209 1.00 0.00 N ATOM 448 CA MET A 32 -6.260 -18.903 -20.111 1.00 0.00 C ATOM 449 C MET A 32 -6.761 -19.667 -18.890 1.00 0.00 C ATOM 450 O MET A 32 -7.402 -19.096 -18.008 1.00 0.00 O ATOM 451 CB MET A 32 -6.011 -17.439 -19.744 1.00 0.00 C ATOM 452 CG MET A 32 -5.021 -17.258 -18.605 1.00 0.00 C ATOM 453 SD MET A 32 -3.363 -17.826 -19.028 1.00 0.00 S ATOM 454 CE MET A 32 -2.576 -16.277 -19.465 1.00 0.00 C ATOM 0 H MET A 32 -8.146 -18.637 -20.990 1.00 0.00 H new ATOM 0 HA MET A 32 -5.323 -19.352 -20.440 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.642 -16.910 -20.623 1.00 0.00 H new ATOM 0 HB3 MET A 32 -6.958 -16.976 -19.468 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.980 -16.204 -18.328 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.376 -17.804 -17.731 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.704 -16.475 -20.088 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.281 -15.653 -20.015 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.264 -15.759 -18.558 1.00 0.00 H new ATOM 464 N PHE A 33 -6.465 -20.962 -18.846 1.00 0.00 N ATOM 465 CA PHE A 33 -6.886 -21.805 -17.733 1.00 0.00 C ATOM 466 C PHE A 33 -6.714 -21.076 -16.403 1.00 0.00 C ATOM 467 O PHE A 33 -5.615 -20.640 -16.059 1.00 0.00 O ATOM 468 CB PHE A 33 -6.085 -23.108 -17.721 1.00 0.00 C ATOM 469 CG PHE A 33 -6.575 -24.104 -16.708 1.00 0.00 C ATOM 470 CD1 PHE A 33 -7.593 -24.989 -17.025 1.00 0.00 C ATOM 471 CD2 PHE A 33 -6.018 -24.155 -15.441 1.00 0.00 C ATOM 472 CE1 PHE A 33 -8.046 -25.906 -16.095 1.00 0.00 C ATOM 473 CE2 PHE A 33 -6.467 -25.070 -14.507 1.00 0.00 C ATOM 474 CZ PHE A 33 -7.481 -25.947 -14.835 1.00 0.00 C ATOM 0 H PHE A 33 -5.935 -21.450 -19.568 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.943 -22.038 -17.865 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.126 -23.560 -18.712 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.039 -22.880 -17.518 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.037 -24.962 -18.009 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.223 -23.472 -15.180 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.841 -26.590 -16.353 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.025 -25.099 -13.522 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.832 -26.664 -14.108 1.00 0.00 H new ATOM 484 N PHE A 34 -7.808 -20.949 -15.659 1.00 0.00 N ATOM 485 CA PHE A 34 -7.779 -20.272 -14.368 1.00 0.00 C ATOM 486 C PHE A 34 -8.426 -21.134 -13.288 1.00 0.00 C ATOM 487 O PHE A 34 -9.178 -22.063 -13.586 1.00 0.00 O ATOM 488 CB PHE A 34 -8.498 -18.924 -14.459 1.00 0.00 C ATOM 489 CG PHE A 34 -9.989 -19.048 -14.601 1.00 0.00 C ATOM 490 CD1 PHE A 34 -10.790 -19.245 -13.487 1.00 0.00 C ATOM 491 CD2 PHE A 34 -10.588 -18.967 -15.847 1.00 0.00 C ATOM 492 CE1 PHE A 34 -12.161 -19.361 -13.615 1.00 0.00 C ATOM 493 CE2 PHE A 34 -11.959 -19.081 -15.981 1.00 0.00 C ATOM 494 CZ PHE A 34 -12.746 -19.277 -14.864 1.00 0.00 C ATOM 0 H PHE A 34 -8.725 -21.306 -15.928 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.737 -20.103 -14.098 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.273 -18.340 -13.566 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.105 -18.368 -15.310 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.338 -19.309 -12.508 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.977 -18.813 -16.724 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.774 -19.517 -12.740 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.414 -19.017 -16.958 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.818 -19.365 -14.966 1.00 0.00 H new ATOM 504 N HIS A 35 -8.126 -20.821 -12.031 1.00 0.00 N ATOM 505 CA HIS A 35 -8.678 -21.567 -10.905 1.00 0.00 C ATOM 506 C HIS A 35 -9.677 -20.716 -10.127 1.00 0.00 C ATOM 507 O HIS A 35 -9.614 -19.487 -10.153 1.00 0.00 O ATOM 508 CB HIS A 35 -7.556 -22.033 -9.977 1.00 0.00 C ATOM 509 CG HIS A 35 -7.088 -23.428 -10.256 1.00 0.00 C ATOM 510 ND1 HIS A 35 -7.950 -24.486 -10.453 1.00 0.00 N ATOM 511 CD2 HIS A 35 -5.838 -23.935 -10.374 1.00 0.00 C ATOM 512 CE1 HIS A 35 -7.251 -25.584 -10.677 1.00 0.00 C ATOM 513 NE2 HIS A 35 -5.967 -25.277 -10.636 1.00 0.00 N ATOM 0 H HIS A 35 -7.504 -20.057 -11.767 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.200 -22.439 -11.299 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.712 -21.350 -10.070 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.901 -21.974 -8.945 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.912 -23.387 -10.280 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.660 -26.566 -10.862 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.196 -25.930 -10.776 1.00 0.00 H new ATOM 521 N PHE A 36 -10.600 -21.378 -9.437 1.00 0.00 N ATOM 522 CA PHE A 36 -11.614 -20.683 -8.653 1.00 0.00 C ATOM 523 C PHE A 36 -11.052 -20.243 -7.304 1.00 0.00 C ATOM 524 O PHE A 36 -11.710 -20.375 -6.273 1.00 0.00 O ATOM 525 CB PHE A 36 -12.832 -21.585 -8.441 1.00 0.00 C ATOM 526 CG PHE A 36 -13.908 -21.390 -9.471 1.00 0.00 C ATOM 527 CD1 PHE A 36 -14.814 -20.348 -9.356 1.00 0.00 C ATOM 528 CD2 PHE A 36 -14.013 -22.248 -10.553 1.00 0.00 C ATOM 529 CE1 PHE A 36 -15.806 -20.167 -10.301 1.00 0.00 C ATOM 530 CE2 PHE A 36 -15.003 -22.072 -11.502 1.00 0.00 C ATOM 531 CZ PHE A 36 -15.900 -21.029 -11.376 1.00 0.00 C ATOM 0 H PHE A 36 -10.667 -22.395 -9.405 1.00 0.00 H new ATOM 0 HA PHE A 36 -11.920 -19.795 -9.206 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.510 -22.626 -8.456 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.248 -21.394 -7.452 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -14.744 -19.670 -8.519 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -13.313 -23.064 -10.657 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -16.507 -19.352 -10.199 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -15.075 -22.749 -12.340 1.00 0.00 H new ATOM 0 HZ PHE A 36 -16.673 -20.888 -12.117 1.00 0.00 H new ATOM 541 N SER A 37 -9.830 -19.721 -7.321 1.00 0.00 N ATOM 542 CA SER A 37 -9.176 -19.265 -6.100 1.00 0.00 C ATOM 543 C SER A 37 -8.725 -17.814 -6.234 1.00 0.00 C ATOM 544 O SER A 37 -8.592 -17.100 -5.241 1.00 0.00 O ATOM 545 CB SER A 37 -7.976 -20.156 -5.776 1.00 0.00 C ATOM 546 OG SER A 37 -8.318 -21.144 -4.819 1.00 0.00 O ATOM 0 H SER A 37 -9.273 -19.603 -8.167 1.00 0.00 H new ATOM 0 HA SER A 37 -9.898 -19.329 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.619 -20.636 -6.687 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.157 -19.545 -5.396 1.00 0.00 H new ATOM 0 HG SER A 37 -7.535 -21.702 -4.630 1.00 0.00 H new ATOM 552 N GLU A 38 -8.491 -17.385 -7.471 1.00 0.00 N ATOM 553 CA GLU A 38 -8.054 -16.020 -7.736 1.00 0.00 C ATOM 554 C GLU A 38 -9.250 -15.080 -7.861 1.00 0.00 C ATOM 555 O GLU A 38 -9.101 -13.859 -7.813 1.00 0.00 O ATOM 556 CB GLU A 38 -7.215 -15.968 -9.014 1.00 0.00 C ATOM 557 CG GLU A 38 -6.006 -16.887 -8.986 1.00 0.00 C ATOM 558 CD GLU A 38 -5.133 -16.666 -7.766 1.00 0.00 C ATOM 559 OE1 GLU A 38 -5.452 -17.228 -6.698 1.00 0.00 O ATOM 560 OE2 GLU A 38 -4.130 -15.931 -7.880 1.00 0.00 O ATOM 0 H GLU A 38 -8.597 -17.963 -8.304 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.443 -15.692 -6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.844 -16.235 -9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.879 -14.944 -9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.342 -17.924 -9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.413 -16.728 -9.886 1.00 0.00 H new ATOM 567 N ILE A 39 -10.435 -15.659 -8.021 1.00 0.00 N ATOM 568 CA ILE A 39 -11.656 -14.874 -8.152 1.00 0.00 C ATOM 569 C ILE A 39 -12.049 -14.241 -6.822 1.00 0.00 C ATOM 570 O ILE A 39 -13.059 -13.542 -6.728 1.00 0.00 O ATOM 571 CB ILE A 39 -12.827 -15.735 -8.663 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.469 -16.376 -10.005 1.00 0.00 C ATOM 573 CG2 ILE A 39 -14.087 -14.893 -8.792 1.00 0.00 C ATOM 574 CD1 ILE A 39 -13.445 -17.444 -10.445 1.00 0.00 C ATOM 0 H ILE A 39 -10.575 -16.668 -8.063 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.449 -14.088 -8.878 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.017 -16.529 -7.941 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.424 -15.600 -10.769 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.473 -16.812 -9.935 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.905 -15.516 -9.154 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.349 -14.479 -7.818 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.911 -14.080 -9.496 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.128 -17.854 -11.404 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.473 -18.240 -9.701 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.439 -17.009 -10.547 1.00 0.00 H new ATOM 586 N LEU A 40 -11.243 -14.488 -5.795 1.00 0.00 N ATOM 587 CA LEU A 40 -11.505 -13.941 -4.468 1.00 0.00 C ATOM 588 C LEU A 40 -11.693 -12.428 -4.530 1.00 0.00 C ATOM 589 O LEU A 40 -12.237 -11.822 -3.607 1.00 0.00 O ATOM 590 CB LEU A 40 -10.357 -14.285 -3.518 1.00 0.00 C ATOM 591 CG LEU A 40 -8.947 -14.004 -4.038 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.725 -12.508 -4.199 1.00 0.00 C ATOM 593 CD2 LEU A 40 -7.904 -14.602 -3.106 1.00 0.00 C ATOM 0 H LEU A 40 -10.403 -15.063 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.426 -14.388 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.499 -13.727 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.425 -15.343 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.842 -14.474 -5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.716 -12.328 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.449 -12.107 -4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.850 -12.016 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.907 -14.392 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.008 -14.163 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.048 -15.681 -3.043 1.00 0.00 H new ATOM 605 N ASP A 41 -11.241 -11.826 -5.625 1.00 0.00 N ATOM 606 CA ASP A 41 -11.363 -10.385 -5.809 1.00 0.00 C ATOM 607 C ASP A 41 -12.751 -9.900 -5.404 1.00 0.00 C ATOM 608 O ASP A 41 -12.900 -8.822 -4.830 1.00 0.00 O ATOM 609 CB ASP A 41 -11.083 -10.010 -7.266 1.00 0.00 C ATOM 610 CG ASP A 41 -11.005 -8.510 -7.473 1.00 0.00 C ATOM 611 OD1 ASP A 41 -12.069 -7.876 -7.631 1.00 0.00 O ATOM 612 OD2 ASP A 41 -9.879 -7.971 -7.477 1.00 0.00 O ATOM 0 H ASP A 41 -10.787 -12.313 -6.398 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.627 -9.899 -5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.145 -10.467 -7.582 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.868 -10.421 -7.901 1.00 0.00 H new ATOM 617 N GLY A 42 -13.766 -10.703 -5.710 1.00 0.00 N ATOM 618 CA GLY A 42 -15.129 -10.338 -5.371 1.00 0.00 C ATOM 619 C GLY A 42 -15.982 -10.082 -6.598 1.00 0.00 C ATOM 620 O GLY A 42 -16.159 -8.937 -7.010 1.00 0.00 O ATOM 0 H GLY A 42 -13.668 -11.600 -6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.579 -11.135 -4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.118 -9.445 -4.747 1.00 0.00 H new ATOM 624 N ASN A 43 -16.510 -11.152 -7.183 1.00 0.00 N ATOM 625 CA ASN A 43 -17.348 -11.037 -8.372 1.00 0.00 C ATOM 626 C ASN A 43 -17.665 -12.414 -8.948 1.00 0.00 C ATOM 627 O ASN A 43 -16.765 -13.152 -9.348 1.00 0.00 O ATOM 628 CB ASN A 43 -16.654 -10.176 -9.429 1.00 0.00 C ATOM 629 CG ASN A 43 -17.094 -8.726 -9.374 1.00 0.00 C ATOM 630 OD1 ASN A 43 -18.285 -8.431 -9.278 1.00 0.00 O ATOM 631 ND2 ASN A 43 -16.132 -7.813 -9.436 1.00 0.00 N ATOM 0 H ASN A 43 -16.373 -12.108 -6.854 1.00 0.00 H new ATOM 0 HA ASN A 43 -18.284 -10.559 -8.083 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.575 -10.231 -9.287 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.866 -10.580 -10.419 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -16.367 -6.821 -9.404 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -15.157 -8.104 -9.515 1.00 0.00 H new ATOM 638 N GLN A 44 -18.950 -12.750 -8.989 1.00 0.00 N ATOM 639 CA GLN A 44 -19.386 -14.038 -9.517 1.00 0.00 C ATOM 640 C GLN A 44 -19.355 -14.040 -11.042 1.00 0.00 C ATOM 641 O GLN A 44 -20.369 -13.789 -11.694 1.00 0.00 O ATOM 642 CB GLN A 44 -20.796 -14.365 -9.024 1.00 0.00 C ATOM 643 CG GLN A 44 -20.951 -15.793 -8.526 1.00 0.00 C ATOM 644 CD GLN A 44 -22.402 -16.202 -8.371 1.00 0.00 C ATOM 645 OE1 GLN A 44 -23.285 -15.672 -9.046 1.00 0.00 O ATOM 646 NE2 GLN A 44 -22.657 -17.151 -7.477 1.00 0.00 N ATOM 0 H GLN A 44 -19.707 -12.149 -8.663 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.697 -14.801 -9.156 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.059 -13.678 -8.220 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.504 -14.193 -9.834 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -20.458 -16.472 -9.222 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.444 -15.896 -7.567 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -21.895 -17.563 -6.939 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.615 -17.468 -7.328 1.00 0.00 H new ATOM 655 N LEU A 45 -18.185 -14.322 -11.605 1.00 0.00 N ATOM 656 CA LEU A 45 -18.021 -14.356 -13.054 1.00 0.00 C ATOM 657 C LEU A 45 -19.165 -15.120 -13.713 1.00 0.00 C ATOM 658 O LEU A 45 -19.950 -15.788 -13.039 1.00 0.00 O ATOM 659 CB LEU A 45 -16.684 -15.002 -13.421 1.00 0.00 C ATOM 660 CG LEU A 45 -15.435 -14.331 -12.847 1.00 0.00 C ATOM 661 CD1 LEU A 45 -14.182 -15.071 -13.287 1.00 0.00 C ATOM 662 CD2 LEU A 45 -15.371 -12.871 -13.272 1.00 0.00 C ATOM 0 H LEU A 45 -17.336 -14.530 -11.080 1.00 0.00 H new ATOM 0 HA LEU A 45 -18.034 -13.330 -13.421 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.701 -16.040 -13.087 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.597 -15.018 -14.507 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.492 -14.370 -11.759 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.303 -14.579 -12.869 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -14.224 -16.101 -12.933 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -14.119 -15.064 -14.375 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -14.476 -12.409 -12.855 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -15.337 -12.810 -14.360 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.254 -12.347 -12.906 1.00 0.00 H new ATOM 674 N HIS A 46 -19.253 -15.019 -15.036 1.00 0.00 N ATOM 675 CA HIS A 46 -20.299 -15.703 -15.787 1.00 0.00 C ATOM 676 C HIS A 46 -19.946 -15.773 -17.270 1.00 0.00 C ATOM 677 O HIS A 46 -19.021 -15.103 -17.729 1.00 0.00 O ATOM 678 CB HIS A 46 -21.639 -14.988 -15.603 1.00 0.00 C ATOM 679 CG HIS A 46 -22.617 -15.756 -14.769 1.00 0.00 C ATOM 680 ND1 HIS A 46 -23.697 -15.169 -14.145 1.00 0.00 N ATOM 681 CD2 HIS A 46 -22.676 -17.073 -14.461 1.00 0.00 C ATOM 682 CE1 HIS A 46 -24.377 -16.091 -13.486 1.00 0.00 C ATOM 683 NE2 HIS A 46 -23.778 -17.255 -13.662 1.00 0.00 N ATOM 0 H HIS A 46 -18.612 -14.470 -15.609 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.382 -16.720 -15.403 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.463 -14.017 -15.140 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.078 -14.799 -16.582 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -21.985 -17.838 -14.784 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -25.270 -15.922 -12.903 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -24.084 -18.145 -13.268 1.00 0.00 H new ATOM 691 N ILE A 47 -20.688 -16.588 -18.012 1.00 0.00 N ATOM 692 CA ILE A 47 -20.453 -16.744 -19.442 1.00 0.00 C ATOM 693 C ILE A 47 -20.401 -15.391 -20.142 1.00 0.00 C ATOM 694 O ILE A 47 -21.401 -14.678 -20.212 1.00 0.00 O ATOM 695 CB ILE A 47 -21.545 -17.608 -20.101 1.00 0.00 C ATOM 696 CG1 ILE A 47 -21.589 -18.994 -19.453 1.00 0.00 C ATOM 697 CG2 ILE A 47 -21.297 -17.724 -21.597 1.00 0.00 C ATOM 698 CD1 ILE A 47 -20.287 -19.756 -19.567 1.00 0.00 C ATOM 0 H ILE A 47 -21.457 -17.150 -17.647 1.00 0.00 H new ATOM 0 HA ILE A 47 -19.490 -17.244 -19.550 1.00 0.00 H new ATOM 0 HB ILE A 47 -22.511 -17.126 -19.949 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -21.846 -18.886 -18.399 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -22.384 -19.578 -19.917 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -22.077 -18.337 -22.049 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -21.311 -16.731 -22.046 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -20.325 -18.187 -21.770 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -20.391 -20.729 -19.086 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -20.038 -19.896 -20.619 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -19.492 -19.193 -19.078 1.00 0.00 H new ATOM 710 N ALA A 48 -19.227 -15.044 -20.660 1.00 0.00 N ATOM 711 CA ALA A 48 -19.045 -13.777 -21.359 1.00 0.00 C ATOM 712 C ALA A 48 -18.907 -12.622 -20.373 1.00 0.00 C ATOM 713 O ALA A 48 -19.633 -11.632 -20.457 1.00 0.00 O ATOM 714 CB ALA A 48 -20.206 -13.527 -22.309 1.00 0.00 C ATOM 0 H ALA A 48 -18.388 -15.622 -20.609 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.124 -13.838 -21.938 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.057 -12.578 -22.824 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.257 -14.333 -23.041 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -21.137 -13.491 -21.744 1.00 0.00 H new ATOM 720 N ASP A 49 -17.971 -12.755 -19.440 1.00 0.00 N ATOM 721 CA ASP A 49 -17.737 -11.722 -18.438 1.00 0.00 C ATOM 722 C ASP A 49 -16.294 -11.231 -18.490 1.00 0.00 C ATOM 723 O ASP A 49 -15.358 -12.004 -18.290 1.00 0.00 O ATOM 724 CB ASP A 49 -18.058 -12.255 -17.040 1.00 0.00 C ATOM 725 CG ASP A 49 -19.549 -12.381 -16.797 1.00 0.00 C ATOM 726 OD1 ASP A 49 -20.282 -12.702 -17.756 1.00 0.00 O ATOM 727 OD2 ASP A 49 -19.983 -12.159 -15.647 1.00 0.00 O ATOM 0 H ASP A 49 -17.362 -13.569 -19.357 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.396 -10.882 -18.658 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.588 -13.230 -16.909 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.626 -11.590 -16.293 1.00 0.00 H new ATOM 732 N GLU A 50 -16.122 -9.941 -18.761 1.00 0.00 N ATOM 733 CA GLU A 50 -14.793 -9.348 -18.841 1.00 0.00 C ATOM 734 C GLU A 50 -14.085 -9.416 -17.491 1.00 0.00 C ATOM 735 O GLU A 50 -14.695 -9.194 -16.445 1.00 0.00 O ATOM 736 CB GLU A 50 -14.886 -7.894 -19.308 1.00 0.00 C ATOM 737 CG GLU A 50 -15.434 -7.741 -20.717 1.00 0.00 C ATOM 738 CD GLU A 50 -16.398 -6.577 -20.844 1.00 0.00 C ATOM 739 OE1 GLU A 50 -17.116 -6.293 -19.863 1.00 0.00 O ATOM 740 OE2 GLU A 50 -16.435 -5.952 -21.924 1.00 0.00 O ATOM 0 H GLU A 50 -16.887 -9.287 -18.929 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.212 -9.918 -19.566 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.522 -7.340 -18.618 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.895 -7.442 -19.262 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.606 -7.600 -21.412 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.941 -8.661 -21.008 1.00 0.00 H new ATOM 747 N VAL A 51 -12.792 -9.724 -17.522 1.00 0.00 N ATOM 748 CA VAL A 51 -11.999 -9.821 -16.302 1.00 0.00 C ATOM 749 C VAL A 51 -10.584 -9.299 -16.523 1.00 0.00 C ATOM 750 O VAL A 51 -10.102 -9.243 -17.654 1.00 0.00 O ATOM 751 CB VAL A 51 -11.925 -11.273 -15.795 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.316 -11.798 -15.474 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.234 -12.160 -16.819 1.00 0.00 C ATOM 0 H VAL A 51 -12.271 -9.911 -18.379 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.497 -9.207 -15.552 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.336 -11.290 -14.878 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.244 -12.825 -15.117 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.770 -11.177 -14.702 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.932 -11.768 -16.373 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.190 -13.183 -16.444 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.793 -12.140 -17.754 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.222 -11.794 -16.993 1.00 0.00 H new ATOM 763 N GLU A 52 -9.923 -8.917 -15.435 1.00 0.00 N ATOM 764 CA GLU A 52 -8.562 -8.399 -15.511 1.00 0.00 C ATOM 765 C GLU A 52 -7.607 -9.254 -14.682 1.00 0.00 C ATOM 766 O GLU A 52 -7.884 -9.569 -13.525 1.00 0.00 O ATOM 767 CB GLU A 52 -8.517 -6.948 -15.026 1.00 0.00 C ATOM 768 CG GLU A 52 -7.397 -6.133 -15.649 1.00 0.00 C ATOM 769 CD GLU A 52 -7.608 -4.639 -15.496 1.00 0.00 C ATOM 770 OE1 GLU A 52 -7.544 -4.144 -14.351 1.00 0.00 O ATOM 771 OE2 GLU A 52 -7.838 -3.964 -16.521 1.00 0.00 O ATOM 0 H GLU A 52 -10.308 -8.956 -14.491 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.244 -8.436 -16.553 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.471 -6.469 -15.249 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.402 -6.939 -13.942 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.450 -6.412 -15.187 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.320 -6.379 -16.708 1.00 0.00 H new ATOM 778 N PHE A 53 -6.482 -9.626 -15.284 1.00 0.00 N ATOM 779 CA PHE A 53 -5.487 -10.445 -14.603 1.00 0.00 C ATOM 780 C PHE A 53 -4.076 -10.063 -15.042 1.00 0.00 C ATOM 781 O PHE A 53 -3.843 -9.729 -16.204 1.00 0.00 O ATOM 782 CB PHE A 53 -5.737 -11.928 -14.885 1.00 0.00 C ATOM 783 CG PHE A 53 -6.232 -12.199 -16.277 1.00 0.00 C ATOM 784 CD1 PHE A 53 -5.394 -12.039 -17.368 1.00 0.00 C ATOM 785 CD2 PHE A 53 -7.537 -12.612 -16.493 1.00 0.00 C ATOM 786 CE1 PHE A 53 -5.847 -12.287 -18.650 1.00 0.00 C ATOM 787 CE2 PHE A 53 -7.995 -12.863 -17.773 1.00 0.00 C ATOM 788 CZ PHE A 53 -7.150 -12.699 -18.853 1.00 0.00 C ATOM 0 H PHE A 53 -6.237 -9.373 -16.241 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.576 -10.266 -13.532 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.812 -12.481 -14.723 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.465 -12.308 -14.169 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.375 -11.717 -17.215 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.203 -12.739 -15.653 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.183 -12.159 -19.492 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.013 -13.187 -17.928 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.507 -12.892 -19.854 1.00 0.00 H new ATOM 798 N THR A 54 -3.136 -10.115 -14.103 1.00 0.00 N ATOM 799 CA THR A 54 -1.749 -9.773 -14.390 1.00 0.00 C ATOM 800 C THR A 54 -1.075 -10.861 -15.219 1.00 0.00 C ATOM 801 O THR A 54 -0.373 -10.572 -16.188 1.00 0.00 O ATOM 802 CB THR A 54 -0.944 -9.557 -13.095 1.00 0.00 C ATOM 803 OG1 THR A 54 -1.497 -8.467 -12.350 1.00 0.00 O ATOM 804 CG2 THR A 54 0.518 -9.273 -13.408 1.00 0.00 C ATOM 0 H THR A 54 -3.311 -10.391 -13.137 1.00 0.00 H new ATOM 0 HA THR A 54 -1.764 -8.843 -14.959 1.00 0.00 H new ATOM 0 HB THR A 54 -1.002 -10.469 -12.501 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.980 -8.338 -11.527 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.067 -9.124 -12.478 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.945 -10.117 -13.950 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.591 -8.374 -14.021 1.00 0.00 H new ATOM 968 N ASN A 65 1.354 -20.134 -17.840 1.00 0.00 N ATOM 969 CA ASN A 65 0.890 -18.826 -17.391 1.00 0.00 C ATOM 970 C ASN A 65 -0.500 -18.926 -16.770 1.00 0.00 C ATOM 971 O ASN A 65 -1.439 -19.415 -17.399 1.00 0.00 O ATOM 972 CB ASN A 65 0.870 -17.840 -18.560 1.00 0.00 C ATOM 973 CG ASN A 65 1.874 -18.199 -19.638 1.00 0.00 C ATOM 974 OD1 ASN A 65 3.080 -18.232 -19.392 1.00 0.00 O ATOM 975 ND2 ASN A 65 1.380 -18.470 -20.841 1.00 0.00 N ATOM 0 HA ASN A 65 1.582 -18.463 -16.631 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.130 -17.815 -18.993 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.082 -16.837 -18.189 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.008 -18.718 -21.606 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.373 -18.430 -21.000 1.00 0.00 H new ATOM 982 N HIS A 66 -0.624 -18.458 -15.532 1.00 0.00 N ATOM 983 CA HIS A 66 -1.900 -18.493 -14.826 1.00 0.00 C ATOM 984 C HIS A 66 -2.359 -17.084 -14.463 1.00 0.00 C ATOM 985 O HIS A 66 -1.541 -16.201 -14.210 1.00 0.00 O ATOM 986 CB HIS A 66 -1.784 -19.346 -13.562 1.00 0.00 C ATOM 987 CG HIS A 66 -1.028 -18.677 -12.456 1.00 0.00 C ATOM 988 ND1 HIS A 66 -1.186 -19.011 -11.127 1.00 0.00 N ATOM 989 CD2 HIS A 66 -0.103 -17.689 -12.486 1.00 0.00 C ATOM 990 CE1 HIS A 66 -0.392 -18.256 -10.388 1.00 0.00 C ATOM 991 NE2 HIS A 66 0.276 -17.446 -11.189 1.00 0.00 N ATOM 0 H HIS A 66 0.143 -18.050 -14.997 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.642 -18.938 -15.489 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.785 -19.595 -13.208 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.291 -20.286 -13.812 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.268 -17.186 -13.367 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.304 -18.295 -9.312 1.00 0.00 H new ATOM 0 HE2 HIS A 66 0.962 -16.752 -10.892 1.00 0.00 H new ATOM 999 N ALA A 67 -3.672 -16.882 -14.441 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.240 -15.582 -14.108 1.00 0.00 C ATOM 1001 C ALA A 67 -4.434 -15.437 -12.603 1.00 0.00 C ATOM 1002 O ALA A 67 -5.238 -16.149 -12.000 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.561 -15.381 -14.835 1.00 0.00 C ATOM 0 H ALA A 67 -4.363 -17.603 -14.650 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.539 -14.813 -14.433 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.974 -14.406 -14.577 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.395 -15.431 -15.911 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.262 -16.162 -14.539 1.00 0.00 H new ATOM 1009 N ILE A 68 -3.694 -14.512 -12.001 1.00 0.00 N ATOM 1010 CA ILE A 68 -3.786 -14.274 -10.566 1.00 0.00 C ATOM 1011 C ILE A 68 -4.764 -13.146 -10.258 1.00 0.00 C ATOM 1012 O ILE A 68 -5.077 -12.328 -11.123 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.412 -13.927 -9.963 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -1.764 -12.780 -10.743 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -1.509 -15.151 -9.963 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -1.351 -11.615 -9.871 1.00 0.00 C ATOM 0 H ILE A 68 -3.024 -13.915 -12.485 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.148 -15.198 -10.115 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.555 -13.605 -8.931 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.888 -13.158 -11.269 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.463 -12.426 -11.501 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.542 -14.890 -9.534 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.968 -15.942 -9.369 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.370 -15.500 -10.986 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.899 -10.840 -10.490 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.228 -11.211 -9.365 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.628 -11.954 -9.129 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.242 -13.107 -9.018 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.184 -12.078 -8.595 1.00 0.00 C ATOM 1030 C ARG A 69 -7.124 -11.698 -9.736 1.00 0.00 C ATOM 1031 O ARG A 69 -6.917 -10.691 -10.413 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.433 -10.839 -8.104 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.699 -11.051 -6.791 1.00 0.00 C ATOM 1034 CD ARG A 69 -5.366 -10.297 -5.651 1.00 0.00 C ATOM 1035 NE ARG A 69 -4.595 -10.380 -4.414 1.00 0.00 N ATOM 1036 CZ ARG A 69 -5.044 -9.955 -3.238 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -6.253 -9.422 -3.140 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -4.282 -10.065 -2.157 1.00 0.00 N ATOM 0 H ARG A 69 -4.992 -13.776 -8.289 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.780 -12.481 -7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.716 -10.534 -8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.141 -10.019 -7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.670 -12.115 -6.557 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.666 -10.719 -6.893 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.489 -9.251 -5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.364 -10.702 -5.484 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.660 -10.787 -4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.842 -9.337 -3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.595 -9.097 -2.236 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.351 -10.476 -2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.627 -9.739 -1.254 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.154 -12.511 -9.942 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.125 -12.260 -11.000 1.00 0.00 C ATOM 1054 C ILE A 70 -10.162 -11.231 -10.561 1.00 0.00 C ATOM 1055 O ILE A 70 -10.913 -11.456 -9.612 1.00 0.00 O ATOM 1056 CB ILE A 70 -9.847 -13.553 -11.420 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -8.847 -14.558 -11.995 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -10.938 -13.245 -12.434 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.474 -15.876 -12.393 1.00 0.00 C ATOM 0 H ILE A 70 -8.338 -13.349 -9.391 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.569 -11.871 -11.853 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.311 -13.995 -10.538 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.363 -14.118 -12.867 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.067 -14.744 -11.257 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.439 -14.169 -12.721 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.663 -12.561 -11.992 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.495 -12.783 -13.316 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.706 -16.539 -12.792 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.934 -16.338 -11.520 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.234 -15.702 -13.154 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.200 -10.102 -11.261 1.00 0.00 N ATOM 1072 CA LYS A 71 -11.146 -9.039 -10.947 1.00 0.00 C ATOM 1073 C LYS A 71 -12.054 -8.749 -12.139 1.00 0.00 C ATOM 1074 O LYS A 71 -11.589 -8.325 -13.197 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.400 -7.766 -10.540 1.00 0.00 C ATOM 1076 CG LYS A 71 -11.318 -6.622 -10.145 1.00 0.00 C ATOM 1077 CD LYS A 71 -11.052 -5.381 -10.979 1.00 0.00 C ATOM 1078 CE LYS A 71 -12.337 -4.622 -11.274 1.00 0.00 C ATOM 1079 NZ LYS A 71 -12.078 -3.186 -11.569 1.00 0.00 N ATOM 0 H LYS A 71 -9.586 -9.900 -12.050 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.764 -9.372 -10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.738 -7.994 -9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.769 -7.445 -11.368 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.357 -6.929 -10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.177 -6.389 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.356 -4.729 -10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.573 -5.667 -11.916 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.843 -5.081 -12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.010 -4.702 -10.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.978 -2.704 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.618 -2.741 -10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.457 -3.109 -12.399 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.350 -8.980 -11.959 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.323 -8.741 -13.018 1.00 0.00 C ATOM 1095 C LYS A 72 -14.418 -7.255 -13.346 1.00 0.00 C ATOM 1096 O LYS A 72 -14.684 -6.431 -12.469 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.698 -9.271 -12.604 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.654 -9.459 -13.769 1.00 0.00 C ATOM 1099 CD LYS A 72 -18.085 -9.642 -13.293 1.00 0.00 C ATOM 1100 CE LYS A 72 -19.086 -9.211 -14.354 1.00 0.00 C ATOM 1101 NZ LYS A 72 -20.396 -8.829 -13.759 1.00 0.00 N ATOM 0 H LYS A 72 -13.751 -9.332 -11.090 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.989 -9.271 -13.910 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.571 -10.225 -12.092 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.143 -8.581 -11.887 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.597 -8.594 -14.430 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.350 -10.328 -14.353 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.253 -10.688 -13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.244 -9.061 -12.384 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.682 -8.367 -14.913 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.234 -10.024 -15.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -21.050 -8.542 -14.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -20.795 -9.641 -13.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -20.260 -8.037 -13.099 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.200 -6.918 -14.612 1.00 0.00 N ATOM 1116 CA LEU A 73 -14.263 -5.530 -15.056 1.00 0.00 C ATOM 1117 C LEU A 73 -15.691 -5.137 -15.418 1.00 0.00 C ATOM 1118 O LEU A 73 -16.464 -5.933 -15.952 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.343 -5.317 -16.260 1.00 0.00 C ATOM 1120 CG LEU A 73 -11.853 -5.557 -16.017 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.101 -5.631 -17.337 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -11.273 -4.463 -15.132 1.00 0.00 C ATOM 0 H LEU A 73 -13.978 -7.587 -15.349 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.929 -4.897 -14.234 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.671 -5.977 -17.063 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.473 -4.294 -16.615 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.739 -6.511 -15.503 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.042 -5.802 -17.143 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.498 -6.451 -17.936 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.224 -4.693 -17.879 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.212 -4.651 -14.970 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.400 -3.496 -15.618 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.791 -4.458 -14.173 1.00 0.00 H new ATOM 1134 N PRO A 74 -16.053 -3.880 -15.122 1.00 0.00 N ATOM 1135 CA PRO A 74 -17.390 -3.352 -15.410 1.00 0.00 C ATOM 1136 C PRO A 74 -17.634 -3.175 -16.905 1.00 0.00 C ATOM 1137 O PRO A 74 -16.706 -3.260 -17.710 1.00 0.00 O ATOM 1138 CB PRO A 74 -17.395 -1.994 -14.703 1.00 0.00 C ATOM 1139 CG PRO A 74 -15.960 -1.597 -14.634 1.00 0.00 C ATOM 1140 CD PRO A 74 -15.184 -2.876 -14.485 1.00 0.00 C ATOM 0 HA PRO A 74 -18.176 -4.027 -15.072 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -17.982 -1.262 -15.257 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -17.834 -2.067 -13.708 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.660 -1.061 -15.534 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.779 -0.930 -13.791 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.213 -2.816 -14.976 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.997 -3.113 -13.438 1.00 0.00 H new ATOM 1148 N LYS A 75 -18.887 -2.926 -17.270 1.00 0.00 N ATOM 1149 CA LYS A 75 -19.254 -2.735 -18.668 1.00 0.00 C ATOM 1150 C LYS A 75 -18.813 -1.361 -19.163 1.00 0.00 C ATOM 1151 O LYS A 75 -19.279 -0.335 -18.671 1.00 0.00 O ATOM 1152 CB LYS A 75 -20.765 -2.893 -18.846 1.00 0.00 C ATOM 1153 CG LYS A 75 -21.167 -3.390 -20.224 1.00 0.00 C ATOM 1154 CD LYS A 75 -22.480 -2.773 -20.678 1.00 0.00 C ATOM 1155 CE LYS A 75 -22.638 -2.851 -22.189 1.00 0.00 C ATOM 1156 NZ LYS A 75 -23.921 -3.498 -22.580 1.00 0.00 N ATOM 0 H LYS A 75 -19.666 -2.852 -16.616 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.744 -3.495 -19.259 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -21.140 -3.588 -18.095 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -21.246 -1.933 -18.661 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.383 -3.149 -20.942 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -21.261 -4.476 -20.207 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -23.311 -3.288 -20.197 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -22.523 -1.731 -20.360 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -22.594 -1.847 -22.611 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -21.805 -3.411 -22.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -23.991 -3.532 -23.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -23.952 -4.465 -22.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -24.717 -2.949 -22.197 1.00 0.00 H new ATOM 1170 N GLY A 76 -17.912 -1.350 -20.141 1.00 0.00 N ATOM 1171 CA GLY A 76 -17.425 -0.097 -20.687 1.00 0.00 C ATOM 1172 C GLY A 76 -15.927 -0.107 -20.915 1.00 0.00 C ATOM 1173 O GLY A 76 -15.447 0.332 -21.960 1.00 0.00 O ATOM 0 H GLY A 76 -17.511 -2.187 -20.565 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.932 0.106 -21.631 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.680 0.716 -20.007 1.00 0.00 H new ATOM 1177 N THR A 77 -15.184 -0.609 -19.934 1.00 0.00 N ATOM 1178 CA THR A 77 -13.731 -0.672 -20.031 1.00 0.00 C ATOM 1179 C THR A 77 -13.296 -1.514 -21.225 1.00 0.00 C ATOM 1180 O THR A 77 -12.605 -1.029 -22.121 1.00 0.00 O ATOM 1181 CB THR A 77 -13.107 -1.258 -18.750 1.00 0.00 C ATOM 1182 OG1 THR A 77 -13.614 -0.571 -17.600 1.00 0.00 O ATOM 1183 CG2 THR A 77 -11.591 -1.146 -18.786 1.00 0.00 C ATOM 0 H THR A 77 -15.565 -0.978 -19.063 1.00 0.00 H new ATOM 0 HA THR A 77 -13.379 0.351 -20.163 1.00 0.00 H new ATOM 0 HB THR A 77 -13.376 -2.313 -18.691 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.214 -0.950 -16.790 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.173 -1.566 -17.871 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.206 -1.694 -19.646 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.305 -0.097 -18.867 1.00 0.00 H new ATOM 1191 N VAL A 78 -13.704 -2.779 -21.231 1.00 0.00 N ATOM 1192 CA VAL A 78 -13.357 -3.689 -22.317 1.00 0.00 C ATOM 1193 C VAL A 78 -14.380 -3.613 -23.445 1.00 0.00 C ATOM 1194 O VAL A 78 -15.502 -3.146 -23.249 1.00 0.00 O ATOM 1195 CB VAL A 78 -13.263 -5.144 -21.821 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -12.473 -5.993 -22.806 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -12.635 -5.195 -20.437 1.00 0.00 C ATOM 0 H VAL A 78 -14.275 -3.197 -20.496 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.382 -3.377 -22.693 1.00 0.00 H new ATOM 0 HB VAL A 78 -14.271 -5.553 -21.752 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.417 -7.018 -22.439 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.970 -5.981 -23.776 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.466 -5.589 -22.909 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.576 -6.231 -20.102 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.632 -4.769 -20.476 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.245 -4.622 -19.739 1.00 0.00 H new