USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 HIS : no HD1:sc= -1.13 K(o=-1.2,f=-2) USER MOD Set 1.2: A 36 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 90:sc= -0.664 USER MOD Single : A 20 TYR OH : rot -141:sc= 0.00131 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= -0.754 (180deg=-2.41!) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.936 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -129:sc= -0.46 (180deg=-4.06!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.655 K(o=-0.66,f=-1.7) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -22:sc= 0.156 USER MOD Single : A 58 ASN : amide:sc=-0.00916 K(o=-0.0092,f=-1.7) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 -4.330 15.958 -1.325 1.00 0.00 N ATOM 89 CA VAL A 9 -4.751 16.343 -2.667 1.00 0.00 C ATOM 90 C VAL A 9 -5.230 15.132 -3.461 1.00 0.00 C ATOM 91 O VAL A 9 -4.468 14.198 -3.707 1.00 0.00 O ATOM 92 CB VAL A 9 -3.608 17.029 -3.439 1.00 0.00 C ATOM 93 CG1 VAL A 9 -4.055 17.389 -4.847 1.00 0.00 C ATOM 94 CG2 VAL A 9 -3.127 18.263 -2.691 1.00 0.00 C ATOM 0 HA VAL A 9 -5.575 17.047 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.774 16.331 -3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.234 17.873 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.347 16.483 -5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.905 18.070 -4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.319 18.736 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.952 18.966 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.764 17.972 -1.705 1.00 0.00 H new ATOM 104 N TRP A 10 -6.497 15.157 -3.859 1.00 0.00 N ATOM 105 CA TRP A 10 -7.078 14.061 -4.626 1.00 0.00 C ATOM 106 C TRP A 10 -6.548 14.056 -6.055 1.00 0.00 C ATOM 107 O TRP A 10 -6.011 15.055 -6.533 1.00 0.00 O ATOM 108 CB TRP A 10 -8.604 14.170 -4.635 1.00 0.00 C ATOM 109 CG TRP A 10 -9.215 14.065 -3.271 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.823 15.064 -2.565 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.276 12.895 -2.447 1.00 0.00 C ATOM 112 NE1 TRP A 10 -10.257 14.586 -1.353 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.935 13.258 -1.256 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.839 11.577 -2.600 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -10.165 12.350 -0.227 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -9.069 10.676 -1.578 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.727 11.065 -0.404 1.00 0.00 C ATOM 0 H TRP A 10 -7.141 15.923 -3.664 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.791 13.124 -4.149 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.890 15.122 -5.081 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -9.013 13.384 -5.270 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.945 16.080 -2.909 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.741 15.132 -0.640 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.330 11.268 -3.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.671 12.648 0.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.736 9.654 -1.686 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.892 10.337 0.377 1.00 0.00 H new ATOM 128 N LYS A 11 -6.702 12.924 -6.735 1.00 0.00 N ATOM 129 CA LYS A 11 -6.240 12.789 -8.111 1.00 0.00 C ATOM 130 C LYS A 11 -7.100 11.789 -8.878 1.00 0.00 C ATOM 131 O LYS A 11 -7.714 10.892 -8.301 1.00 0.00 O ATOM 132 CB LYS A 11 -4.776 12.344 -8.138 1.00 0.00 C ATOM 133 CG LYS A 11 -3.972 12.824 -6.942 1.00 0.00 C ATOM 134 CD LYS A 11 -2.480 12.636 -7.161 1.00 0.00 C ATOM 135 CE LYS A 11 -1.672 13.690 -6.420 1.00 0.00 C ATOM 136 NZ LYS A 11 -1.341 13.261 -5.032 1.00 0.00 N ATOM 0 H LYS A 11 -7.144 12.087 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.327 13.762 -8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.737 11.255 -8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.309 12.714 -9.051 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.184 13.877 -6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.282 12.277 -6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.183 11.643 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.258 12.688 -8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.751 13.893 -6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.235 14.623 -6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.790 14.006 -4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.220 13.092 -4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.782 12.385 -5.064 1.00 0.00 H new ATOM 150 N PRO A 12 -7.145 11.945 -10.209 1.00 0.00 N ATOM 151 CA PRO A 12 -7.926 11.064 -11.083 1.00 0.00 C ATOM 152 C PRO A 12 -7.334 9.661 -11.170 1.00 0.00 C ATOM 153 O PRO A 12 -6.434 9.404 -11.968 1.00 0.00 O ATOM 154 CB PRO A 12 -7.852 11.760 -12.445 1.00 0.00 C ATOM 155 CG PRO A 12 -6.596 12.559 -12.395 1.00 0.00 C ATOM 156 CD PRO A 12 -6.438 12.993 -10.964 1.00 0.00 C ATOM 0 HA PRO A 12 -8.942 10.922 -10.716 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.828 11.035 -13.259 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.720 12.398 -12.611 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.742 11.964 -12.719 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.655 13.421 -13.060 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.388 13.056 -10.677 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.875 13.976 -10.792 1.00 0.00 H new ATOM 164 N GLY A 13 -7.846 8.756 -10.341 1.00 0.00 N ATOM 165 CA GLY A 13 -7.356 7.390 -10.340 1.00 0.00 C ATOM 166 C GLY A 13 -7.040 6.888 -8.946 1.00 0.00 C ATOM 167 O GLY A 13 -6.184 6.021 -8.770 1.00 0.00 O ATOM 0 H GLY A 13 -8.591 8.945 -9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.102 6.739 -10.796 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.459 7.329 -10.957 1.00 0.00 H new ATOM 171 N ASP A 14 -7.730 7.436 -7.951 1.00 0.00 N ATOM 172 CA ASP A 14 -7.517 7.039 -6.564 1.00 0.00 C ATOM 173 C ASP A 14 -8.846 6.746 -5.873 1.00 0.00 C ATOM 174 O ASP A 14 -9.752 7.578 -5.874 1.00 0.00 O ATOM 175 CB ASP A 14 -6.765 8.135 -5.807 1.00 0.00 C ATOM 176 CG ASP A 14 -5.303 8.212 -6.201 1.00 0.00 C ATOM 177 OD1 ASP A 14 -5.014 8.706 -7.310 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.449 7.777 -5.400 1.00 0.00 O ATOM 0 H ASP A 14 -8.441 8.156 -8.079 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.917 6.129 -6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.241 9.097 -5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.840 7.950 -4.736 1.00 0.00 H new ATOM 183 N GLU A 15 -8.952 5.558 -5.286 1.00 0.00 N ATOM 184 CA GLU A 15 -10.171 5.156 -4.594 1.00 0.00 C ATOM 185 C GLU A 15 -10.415 6.033 -3.369 1.00 0.00 C ATOM 186 O GLU A 15 -9.490 6.335 -2.614 1.00 0.00 O ATOM 187 CB GLU A 15 -10.084 3.687 -4.174 1.00 0.00 C ATOM 188 CG GLU A 15 -8.930 3.390 -3.232 1.00 0.00 C ATOM 189 CD GLU A 15 -7.659 3.011 -3.968 1.00 0.00 C ATOM 190 OE1 GLU A 15 -7.558 1.852 -4.421 1.00 0.00 O ATOM 191 OE2 GLU A 15 -6.765 3.875 -4.090 1.00 0.00 O ATOM 0 H GLU A 15 -8.210 4.858 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.007 5.281 -5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.018 3.400 -3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.982 3.068 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.739 4.265 -2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.213 2.579 -2.561 1.00 0.00 H new ATOM 198 N CYS A 16 -11.666 6.437 -3.178 1.00 0.00 N ATOM 199 CA CYS A 16 -12.033 7.280 -2.046 1.00 0.00 C ATOM 200 C CYS A 16 -13.481 7.036 -1.632 1.00 0.00 C ATOM 201 O CYS A 16 -14.196 6.259 -2.266 1.00 0.00 O ATOM 202 CB CYS A 16 -11.832 8.755 -2.395 1.00 0.00 C ATOM 203 SG CYS A 16 -12.860 9.336 -3.764 1.00 0.00 S ATOM 0 H CYS A 16 -12.443 6.194 -3.792 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.386 7.021 -1.208 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.046 9.358 -1.513 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.784 8.918 -2.647 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.990 9.781 -3.300 1.00 0.00 H new ATOM 209 N PHE A 17 -13.907 7.703 -0.565 1.00 0.00 N ATOM 210 CA PHE A 17 -15.269 7.556 -0.065 1.00 0.00 C ATOM 211 C PHE A 17 -16.069 8.836 -0.285 1.00 0.00 C ATOM 212 O PHE A 17 -15.679 9.911 0.169 1.00 0.00 O ATOM 213 CB PHE A 17 -15.252 7.200 1.423 1.00 0.00 C ATOM 214 CG PHE A 17 -15.223 5.722 1.686 1.00 0.00 C ATOM 215 CD1 PHE A 17 -14.046 5.004 1.553 1.00 0.00 C ATOM 216 CD2 PHE A 17 -16.373 5.050 2.068 1.00 0.00 C ATOM 217 CE1 PHE A 17 -14.017 3.644 1.793 1.00 0.00 C ATOM 218 CE2 PHE A 17 -16.350 3.689 2.310 1.00 0.00 C ATOM 219 CZ PHE A 17 -15.170 2.985 2.173 1.00 0.00 C ATOM 0 H PHE A 17 -13.329 8.351 -0.030 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.749 6.749 -0.619 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.381 7.661 1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.133 7.629 1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.140 5.513 1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -17.298 5.596 2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.093 3.096 1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -17.254 3.177 2.606 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.149 1.922 2.362 1.00 0.00 H new ATOM 229 N ALA A 18 -17.192 8.711 -0.986 1.00 0.00 N ATOM 230 CA ALA A 18 -18.049 9.857 -1.265 1.00 0.00 C ATOM 231 C ALA A 18 -19.375 9.745 -0.520 1.00 0.00 C ATOM 232 O ALA A 18 -19.949 8.661 -0.413 1.00 0.00 O ATOM 233 CB ALA A 18 -18.292 9.981 -2.762 1.00 0.00 C ATOM 0 H ALA A 18 -17.529 7.828 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.540 10.755 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.933 10.841 -2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.340 10.115 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.777 9.076 -3.128 1.00 0.00 H new ATOM 239 N LEU A 19 -19.855 10.872 -0.005 1.00 0.00 N ATOM 240 CA LEU A 19 -21.113 10.901 0.732 1.00 0.00 C ATOM 241 C LEU A 19 -22.298 11.038 -0.219 1.00 0.00 C ATOM 242 O LEU A 19 -22.465 12.066 -0.875 1.00 0.00 O ATOM 243 CB LEU A 19 -21.114 12.056 1.735 1.00 0.00 C ATOM 244 CG LEU A 19 -21.933 11.840 3.007 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.324 10.732 3.853 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.028 13.132 3.806 1.00 0.00 C ATOM 0 H LEU A 19 -19.392 11.777 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.210 9.959 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.083 12.263 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.490 12.947 1.232 1.00 0.00 H new ATOM 0 HG LEU A 19 -22.940 11.538 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -21.921 10.593 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.309 9.804 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.306 11.004 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -22.615 12.959 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.027 13.464 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.510 13.899 3.201 1.00 0.00 H new ATOM 258 N TYR A 20 -23.119 9.996 -0.286 1.00 0.00 N ATOM 259 CA TYR A 20 -24.289 9.999 -1.157 1.00 0.00 C ATOM 260 C TYR A 20 -25.150 11.233 -0.908 1.00 0.00 C ATOM 261 O TYR A 20 -25.451 11.573 0.237 1.00 0.00 O ATOM 262 CB TYR A 20 -25.118 8.732 -0.938 1.00 0.00 C ATOM 263 CG TYR A 20 -25.885 8.291 -2.163 1.00 0.00 C ATOM 264 CD1 TYR A 20 -25.276 8.252 -3.412 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.219 7.912 -2.073 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.974 7.850 -4.534 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.924 7.507 -3.190 1.00 0.00 C ATOM 268 CZ TYR A 20 -27.297 7.479 -4.418 1.00 0.00 C ATOM 269 OH TYR A 20 -27.995 7.076 -5.534 1.00 0.00 O ATOM 0 H TYR A 20 -22.996 9.138 0.252 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.941 10.023 -2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.456 7.925 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.820 8.904 -0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -24.240 8.541 -3.507 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.713 7.934 -1.113 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.486 7.826 -5.497 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.960 7.214 -3.102 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.910 7.424 -5.491 1.00 0.00 H new ATOM 279 N TRP A 21 -25.543 11.900 -1.987 1.00 0.00 N ATOM 280 CA TRP A 21 -26.370 13.097 -1.887 1.00 0.00 C ATOM 281 C TRP A 21 -27.810 12.736 -1.537 1.00 0.00 C ATOM 282 O TRP A 21 -28.673 13.608 -1.450 1.00 0.00 O ATOM 283 CB TRP A 21 -26.332 13.880 -3.200 1.00 0.00 C ATOM 284 CG TRP A 21 -26.895 13.119 -4.362 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.208 12.310 -5.222 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.260 13.097 -4.791 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.065 11.787 -6.160 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.329 12.253 -5.917 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.432 13.705 -4.333 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.523 12.006 -6.590 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.616 13.460 -5.002 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.655 12.616 -6.120 1.00 0.00 C ATOM 0 H TRP A 21 -25.302 11.632 -2.941 1.00 0.00 H new ATOM 0 HA TRP A 21 -25.967 13.721 -1.089 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -26.891 14.808 -3.078 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.301 14.156 -3.421 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.148 12.111 -5.172 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -26.802 11.154 -6.915 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.413 14.355 -3.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.555 11.356 -7.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.527 13.927 -4.657 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.596 12.443 -6.621 1.00 0.00 H new ATOM 303 N GLU A 22 -28.060 11.446 -1.338 1.00 0.00 N ATOM 304 CA GLU A 22 -29.397 10.971 -0.999 1.00 0.00 C ATOM 305 C GLU A 22 -29.408 10.319 0.381 1.00 0.00 C ATOM 306 O GLU A 22 -30.349 10.497 1.155 1.00 0.00 O ATOM 307 CB GLU A 22 -29.890 9.975 -2.050 1.00 0.00 C ATOM 308 CG GLU A 22 -30.619 10.628 -3.213 1.00 0.00 C ATOM 309 CD GLU A 22 -31.336 9.621 -4.091 1.00 0.00 C ATOM 310 OE1 GLU A 22 -30.697 8.632 -4.505 1.00 0.00 O ATOM 311 OE2 GLU A 22 -32.538 9.824 -4.364 1.00 0.00 O ATOM 0 H GLU A 22 -27.355 10.712 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.067 11.830 -0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.038 9.414 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -30.556 9.256 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -31.341 11.347 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -29.904 11.187 -3.817 1.00 0.00 H new ATOM 318 N ASP A 23 -28.358 9.564 0.681 1.00 0.00 N ATOM 319 CA ASP A 23 -28.246 8.885 1.966 1.00 0.00 C ATOM 320 C ASP A 23 -27.290 9.630 2.893 1.00 0.00 C ATOM 321 O ASP A 23 -27.305 9.431 4.107 1.00 0.00 O ATOM 322 CB ASP A 23 -27.765 7.447 1.768 1.00 0.00 C ATOM 323 CG ASP A 23 -28.849 6.547 1.207 1.00 0.00 C ATOM 324 OD1 ASP A 23 -29.040 6.547 -0.027 1.00 0.00 O ATOM 325 OD2 ASP A 23 -29.507 5.843 2.002 1.00 0.00 O ATOM 0 H ASP A 23 -27.571 9.406 0.051 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.234 8.869 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -26.908 7.443 1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -27.422 7.047 2.722 1.00 0.00 H new ATOM 330 N ASN A 24 -26.459 10.489 2.311 1.00 0.00 N ATOM 331 CA ASN A 24 -25.494 11.263 3.084 1.00 0.00 C ATOM 332 C ASN A 24 -24.590 10.345 3.900 1.00 0.00 C ATOM 333 O ASN A 24 -24.123 10.713 4.979 1.00 0.00 O ATOM 334 CB ASN A 24 -26.220 12.240 4.012 1.00 0.00 C ATOM 335 CG ASN A 24 -26.510 13.568 3.340 1.00 0.00 C ATOM 336 OD1 ASN A 24 -25.595 14.314 2.992 1.00 0.00 O ATOM 337 ND2 ASN A 24 -27.790 13.869 3.155 1.00 0.00 N ATOM 0 H ASN A 24 -26.434 10.667 1.307 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.874 11.827 2.387 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -27.156 11.793 4.346 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.614 12.411 4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -28.048 14.749 2.708 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -28.516 13.220 3.460 1.00 0.00 H new ATOM 344 N LYS A 25 -24.345 9.148 3.379 1.00 0.00 N ATOM 345 CA LYS A 25 -23.495 8.176 4.057 1.00 0.00 C ATOM 346 C LYS A 25 -22.243 7.883 3.237 1.00 0.00 C ATOM 347 O LYS A 25 -22.290 7.838 2.007 1.00 0.00 O ATOM 348 CB LYS A 25 -24.268 6.879 4.308 1.00 0.00 C ATOM 349 CG LYS A 25 -25.327 7.002 5.389 1.00 0.00 C ATOM 350 CD LYS A 25 -25.791 5.638 5.873 1.00 0.00 C ATOM 351 CE LYS A 25 -24.836 5.058 6.905 1.00 0.00 C ATOM 352 NZ LYS A 25 -23.699 4.339 6.266 1.00 0.00 N ATOM 0 H LYS A 25 -24.724 8.827 2.488 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.191 8.601 5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -24.744 6.564 3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.564 6.095 4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -24.927 7.570 6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.179 7.561 5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -26.788 5.724 6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -25.869 4.957 5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -24.451 5.860 7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -25.378 4.373 7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -23.478 3.482 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -23.959 4.072 5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.865 4.960 6.243 1.00 0.00 H new ATOM 366 N PHE A 26 -21.123 7.684 3.925 1.00 0.00 N ATOM 367 CA PHE A 26 -19.858 7.395 3.260 1.00 0.00 C ATOM 368 C PHE A 26 -19.910 6.042 2.557 1.00 0.00 C ATOM 369 O PHE A 26 -20.147 5.012 3.187 1.00 0.00 O ATOM 370 CB PHE A 26 -18.710 7.414 4.272 1.00 0.00 C ATOM 371 CG PHE A 26 -18.350 8.793 4.745 1.00 0.00 C ATOM 372 CD1 PHE A 26 -17.919 9.757 3.847 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.442 9.125 6.086 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.586 11.026 4.280 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.111 10.394 6.525 1.00 0.00 C ATOM 376 CZ PHE A 26 -17.683 11.346 5.620 1.00 0.00 C ATOM 0 H PHE A 26 -21.066 7.718 4.943 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.685 8.167 2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -18.985 6.804 5.132 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.831 6.952 3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.843 9.513 2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -18.776 8.384 6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.250 11.768 3.571 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.187 10.640 7.574 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.425 12.338 5.960 1.00 0.00 H new ATOM 386 N TYR A 27 -19.687 6.054 1.247 1.00 0.00 N ATOM 387 CA TYR A 27 -19.711 4.829 0.457 1.00 0.00 C ATOM 388 C TYR A 27 -18.504 4.757 -0.473 1.00 0.00 C ATOM 389 O TYR A 27 -18.056 5.772 -1.007 1.00 0.00 O ATOM 390 CB TYR A 27 -21.003 4.749 -0.359 1.00 0.00 C ATOM 391 CG TYR A 27 -22.251 4.662 0.491 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.353 3.733 1.518 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.328 5.511 0.266 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.491 3.650 2.296 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.470 5.436 1.040 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.547 4.504 2.053 1.00 0.00 C ATOM 397 OH TYR A 27 -25.682 4.425 2.827 1.00 0.00 O ATOM 0 H TYR A 27 -19.488 6.898 0.710 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.669 3.983 1.143 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -21.072 5.626 -1.002 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -20.957 3.878 -1.012 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.528 3.064 1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.271 6.242 -0.527 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.554 2.921 3.090 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.298 6.104 0.853 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.330 5.096 2.527 1.00 0.00 H new ATOM 407 N ARG A 28 -17.983 3.550 -0.663 1.00 0.00 N ATOM 408 CA ARG A 28 -16.828 3.343 -1.528 1.00 0.00 C ATOM 409 C ARG A 28 -16.991 4.099 -2.844 1.00 0.00 C ATOM 410 O ARG A 28 -18.103 4.250 -3.350 1.00 0.00 O ATOM 411 CB ARG A 28 -16.631 1.852 -1.806 1.00 0.00 C ATOM 412 CG ARG A 28 -15.181 1.462 -2.037 1.00 0.00 C ATOM 413 CD ARG A 28 -14.453 1.216 -0.725 1.00 0.00 C ATOM 414 NE ARG A 28 -13.230 0.441 -0.913 1.00 0.00 N ATOM 415 CZ ARG A 28 -12.518 -0.064 0.088 1.00 0.00 C ATOM 416 NH1 ARG A 28 -12.907 0.122 1.342 1.00 0.00 N ATOM 417 NH2 ARG A 28 -11.416 -0.758 -0.164 1.00 0.00 N ATOM 0 H ARG A 28 -18.343 2.700 -0.229 1.00 0.00 H new ATOM 0 HA ARG A 28 -15.948 3.729 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -17.023 1.279 -0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -17.217 1.574 -2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.139 0.563 -2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.675 2.252 -2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.208 2.172 -0.262 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.114 0.688 -0.037 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.904 0.278 -1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.755 0.654 1.539 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.359 -0.267 2.109 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.115 -0.904 -1.127 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.870 -1.145 0.606 1.00 0.00 H new ATOM 431 N ALA A 29 -15.877 4.572 -3.391 1.00 0.00 N ATOM 432 CA ALA A 29 -15.896 5.311 -4.647 1.00 0.00 C ATOM 433 C ALA A 29 -14.485 5.508 -5.190 1.00 0.00 C ATOM 434 O ALA A 29 -13.513 5.030 -4.606 1.00 0.00 O ATOM 435 CB ALA A 29 -16.584 6.655 -4.459 1.00 0.00 C ATOM 0 H ALA A 29 -14.949 4.457 -2.984 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.459 4.726 -5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.591 7.196 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.609 6.495 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.046 7.238 -3.712 1.00 0.00 H new ATOM 441 N GLU A 30 -14.381 6.216 -6.311 1.00 0.00 N ATOM 442 CA GLU A 30 -13.087 6.474 -6.933 1.00 0.00 C ATOM 443 C GLU A 30 -13.077 7.835 -7.623 1.00 0.00 C ATOM 444 O GLU A 30 -13.989 8.166 -8.381 1.00 0.00 O ATOM 445 CB GLU A 30 -12.754 5.375 -7.944 1.00 0.00 C ATOM 446 CG GLU A 30 -11.346 5.473 -8.508 1.00 0.00 C ATOM 447 CD GLU A 30 -11.224 4.850 -9.884 1.00 0.00 C ATOM 448 OE1 GLU A 30 -11.603 5.512 -10.872 1.00 0.00 O ATOM 449 OE2 GLU A 30 -10.749 3.698 -9.973 1.00 0.00 O ATOM 0 H GLU A 30 -15.176 6.620 -6.806 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.330 6.478 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.878 4.403 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.469 5.420 -8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.052 6.521 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.651 4.981 -7.828 1.00 0.00 H new ATOM 456 N VAL A 31 -12.039 8.621 -7.354 1.00 0.00 N ATOM 457 CA VAL A 31 -11.909 9.946 -7.948 1.00 0.00 C ATOM 458 C VAL A 31 -11.857 9.863 -9.469 1.00 0.00 C ATOM 459 O VAL A 31 -10.843 9.468 -10.044 1.00 0.00 O ATOM 460 CB VAL A 31 -10.647 10.667 -7.440 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.508 12.030 -8.101 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.683 10.801 -5.925 1.00 0.00 C ATOM 0 H VAL A 31 -11.276 8.363 -6.728 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.789 10.516 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.776 10.069 -7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.611 12.525 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.433 11.905 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.381 12.639 -7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.783 11.313 -5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.561 11.376 -5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.730 9.810 -5.473 1.00 0.00 H new ATOM 472 N GLU A 32 -12.956 10.239 -10.115 1.00 0.00 N ATOM 473 CA GLU A 32 -13.035 10.207 -11.571 1.00 0.00 C ATOM 474 C GLU A 32 -12.246 11.360 -12.184 1.00 0.00 C ATOM 475 O GLU A 32 -11.386 11.152 -13.040 1.00 0.00 O ATOM 476 CB GLU A 32 -14.494 10.274 -12.027 1.00 0.00 C ATOM 477 CG GLU A 32 -14.714 9.762 -13.441 1.00 0.00 C ATOM 478 CD GLU A 32 -14.198 10.723 -14.495 1.00 0.00 C ATOM 479 OE1 GLU A 32 -14.707 11.861 -14.562 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.284 10.335 -15.253 1.00 0.00 O ATOM 0 H GLU A 32 -13.804 10.569 -9.654 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.598 9.268 -11.912 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.108 9.692 -11.339 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.838 11.307 -11.966 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.216 8.799 -13.557 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.779 9.591 -13.600 1.00 0.00 H new ATOM 487 N ALA A 33 -12.546 12.577 -11.740 1.00 0.00 N ATOM 488 CA ALA A 33 -11.864 13.763 -12.243 1.00 0.00 C ATOM 489 C ALA A 33 -12.190 14.986 -11.392 1.00 0.00 C ATOM 490 O ALA A 33 -13.355 15.256 -11.096 1.00 0.00 O ATOM 491 CB ALA A 33 -12.242 14.012 -13.696 1.00 0.00 C ATOM 0 H ALA A 33 -13.257 12.767 -11.033 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.790 13.588 -12.183 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.726 14.901 -14.059 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.952 13.152 -14.300 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.319 14.162 -13.771 1.00 0.00 H new ATOM 497 N LEU A 34 -11.156 15.721 -11.001 1.00 0.00 N ATOM 498 CA LEU A 34 -11.332 16.916 -10.183 1.00 0.00 C ATOM 499 C LEU A 34 -11.851 18.079 -11.022 1.00 0.00 C ATOM 500 O LEU A 34 -11.855 18.018 -12.252 1.00 0.00 O ATOM 501 CB LEU A 34 -10.011 17.302 -9.517 1.00 0.00 C ATOM 502 CG LEU A 34 -9.235 16.163 -8.854 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.748 16.480 -8.817 1.00 0.00 C ATOM 504 CD2 LEU A 34 -9.762 15.905 -7.450 1.00 0.00 C ATOM 0 H LEU A 34 -10.186 15.511 -11.237 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.068 16.692 -9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.370 17.763 -10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.216 18.062 -8.763 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.378 15.259 -9.446 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.212 15.658 -8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.379 16.614 -9.834 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.585 17.396 -8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.198 15.091 -6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.650 16.807 -6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.816 15.632 -7.501 1.00 0.00 H new ATOM 516 N HIS A 35 -12.286 19.140 -10.349 1.00 0.00 N ATOM 517 CA HIS A 35 -12.804 20.319 -11.034 1.00 0.00 C ATOM 518 C HIS A 35 -11.686 21.317 -11.319 1.00 0.00 C ATOM 519 O HIS A 35 -10.549 21.130 -10.886 1.00 0.00 O ATOM 520 CB HIS A 35 -13.895 20.984 -10.194 1.00 0.00 C ATOM 521 CG HIS A 35 -14.737 21.954 -10.964 1.00 0.00 C ATOM 522 ND1 HIS A 35 -14.639 23.321 -10.814 1.00 0.00 N ATOM 523 CD2 HIS A 35 -15.695 21.747 -11.897 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.501 23.914 -11.620 1.00 0.00 C ATOM 525 NE2 HIS A 35 -16.155 22.981 -12.289 1.00 0.00 N ATOM 0 H HIS A 35 -12.290 19.207 -9.331 1.00 0.00 H new ATOM 0 HA HIS A 35 -13.232 19.998 -11.984 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.539 20.212 -9.772 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.431 21.504 -9.356 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -16.035 20.790 -12.265 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.647 24.980 -11.716 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -16.883 23.149 -12.983 1.00 0.00 H new ATOM 534 N SER A 36 -12.016 22.376 -12.051 1.00 0.00 N ATOM 535 CA SER A 36 -11.039 23.401 -12.397 1.00 0.00 C ATOM 536 C SER A 36 -10.709 24.269 -11.187 1.00 0.00 C ATOM 537 O SER A 36 -9.560 24.337 -10.752 1.00 0.00 O ATOM 538 CB SER A 36 -11.567 24.274 -13.537 1.00 0.00 C ATOM 539 OG SER A 36 -12.863 24.767 -13.244 1.00 0.00 O ATOM 0 H SER A 36 -12.953 22.547 -12.416 1.00 0.00 H new ATOM 0 HA SER A 36 -10.126 22.902 -12.723 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.886 25.109 -13.705 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.595 23.695 -14.460 1.00 0.00 H new ATOM 0 HG SER A 36 -13.177 25.323 -13.987 1.00 0.00 H new ATOM 545 N SER A 37 -11.727 24.932 -10.647 1.00 0.00 N ATOM 546 CA SER A 37 -11.547 25.800 -9.489 1.00 0.00 C ATOM 547 C SER A 37 -10.796 25.073 -8.378 1.00 0.00 C ATOM 548 O SER A 37 -9.763 25.541 -7.902 1.00 0.00 O ATOM 549 CB SER A 37 -12.903 26.284 -8.972 1.00 0.00 C ATOM 550 OG SER A 37 -12.790 27.557 -8.360 1.00 0.00 O ATOM 0 H SER A 37 -12.685 24.884 -10.993 1.00 0.00 H new ATOM 0 HA SER A 37 -10.957 26.662 -9.800 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.613 26.335 -9.797 1.00 0.00 H new ATOM 0 HB3 SER A 37 -13.300 25.566 -8.254 1.00 0.00 H new ATOM 0 HG SER A 37 -13.670 27.845 -8.039 1.00 0.00 H new ATOM 556 N GLY A 38 -11.324 23.923 -7.969 1.00 0.00 N ATOM 557 CA GLY A 38 -10.692 23.149 -6.916 1.00 0.00 C ATOM 558 C GLY A 38 -11.559 23.037 -5.678 1.00 0.00 C ATOM 559 O GLY A 38 -11.062 23.114 -4.555 1.00 0.00 O ATOM 0 H GLY A 38 -12.178 23.514 -8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.466 22.150 -7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.742 23.612 -6.650 1.00 0.00 H new ATOM 563 N MET A 39 -12.860 22.858 -5.883 1.00 0.00 N ATOM 564 CA MET A 39 -13.798 22.736 -4.773 1.00 0.00 C ATOM 565 C MET A 39 -14.478 21.370 -4.783 1.00 0.00 C ATOM 566 O MET A 39 -14.440 20.638 -3.793 1.00 0.00 O ATOM 567 CB MET A 39 -14.852 23.843 -4.844 1.00 0.00 C ATOM 568 CG MET A 39 -14.298 25.228 -4.555 1.00 0.00 C ATOM 569 SD MET A 39 -13.584 25.360 -2.904 1.00 0.00 S ATOM 570 CE MET A 39 -11.867 25.677 -3.302 1.00 0.00 C ATOM 0 H MET A 39 -13.288 22.794 -6.807 1.00 0.00 H new ATOM 0 HA MET A 39 -13.237 22.837 -3.844 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.303 23.841 -5.836 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.647 23.623 -4.132 1.00 0.00 H new ATOM 0 HG2 MET A 39 -13.537 25.473 -5.296 1.00 0.00 H new ATOM 0 HG3 MET A 39 -15.095 25.964 -4.662 1.00 0.00 H new ATOM 0 HE1 MET A 39 -11.232 24.982 -2.752 1.00 0.00 H new ATOM 0 HE2 MET A 39 -11.711 25.542 -4.372 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.612 26.700 -3.024 1.00 0.00 H new ATOM 580 N THR A 40 -15.099 21.031 -5.909 1.00 0.00 N ATOM 581 CA THR A 40 -15.788 19.754 -6.047 1.00 0.00 C ATOM 582 C THR A 40 -15.024 18.815 -6.973 1.00 0.00 C ATOM 583 O THR A 40 -14.075 19.223 -7.641 1.00 0.00 O ATOM 584 CB THR A 40 -17.217 19.943 -6.590 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.179 20.650 -7.835 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.079 20.705 -5.594 1.00 0.00 C ATOM 0 H THR A 40 -15.139 21.623 -6.738 1.00 0.00 H new ATOM 0 HA THR A 40 -15.841 19.314 -5.051 1.00 0.00 H new ATOM 0 HB THR A 40 -17.656 18.957 -6.746 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.091 20.764 -8.174 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.083 20.826 -6.000 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.131 20.149 -4.658 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.641 21.686 -5.410 1.00 0.00 H new ATOM 594 N ALA A 41 -15.445 17.554 -7.007 1.00 0.00 N ATOM 595 CA ALA A 41 -14.802 16.557 -7.854 1.00 0.00 C ATOM 596 C ALA A 41 -15.770 15.437 -8.215 1.00 0.00 C ATOM 597 O ALA A 41 -16.604 15.037 -7.403 1.00 0.00 O ATOM 598 CB ALA A 41 -13.571 15.991 -7.161 1.00 0.00 C ATOM 0 H ALA A 41 -16.228 17.199 -6.458 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.493 17.046 -8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.101 15.248 -7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.864 16.796 -6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.865 15.523 -6.221 1.00 0.00 H new ATOM 604 N VAL A 42 -15.655 14.933 -9.440 1.00 0.00 N ATOM 605 CA VAL A 42 -16.521 13.858 -9.909 1.00 0.00 C ATOM 606 C VAL A 42 -16.038 12.503 -9.403 1.00 0.00 C ATOM 607 O VAL A 42 -14.986 12.013 -9.815 1.00 0.00 O ATOM 608 CB VAL A 42 -16.590 13.824 -11.447 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.524 12.718 -11.916 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.035 15.173 -11.990 1.00 0.00 C ATOM 0 H VAL A 42 -14.970 15.252 -10.125 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.516 14.057 -9.512 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.593 13.613 -11.833 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.560 12.710 -13.005 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.158 11.756 -11.558 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.525 12.895 -11.521 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.078 15.131 -13.078 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.022 15.416 -11.597 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.324 15.941 -11.685 1.00 0.00 H new ATOM 620 N VAL A 43 -16.814 11.901 -8.507 1.00 0.00 N ATOM 621 CA VAL A 43 -16.467 10.602 -7.945 1.00 0.00 C ATOM 622 C VAL A 43 -17.456 9.529 -8.388 1.00 0.00 C ATOM 623 O VAL A 43 -18.668 9.747 -8.384 1.00 0.00 O ATOM 624 CB VAL A 43 -16.430 10.647 -6.406 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.424 11.681 -5.926 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.815 10.941 -5.849 1.00 0.00 C ATOM 0 H VAL A 43 -17.687 12.293 -8.155 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.473 10.352 -8.317 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.115 9.670 -6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.412 11.698 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.432 11.422 -6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.706 12.665 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.771 10.969 -4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.161 11.905 -6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.507 10.160 -6.164 1.00 0.00 H new ATOM 636 N LYS A 44 -16.931 8.370 -8.769 1.00 0.00 N ATOM 637 CA LYS A 44 -17.767 7.261 -9.213 1.00 0.00 C ATOM 638 C LYS A 44 -18.065 6.308 -8.060 1.00 0.00 C ATOM 639 O LYS A 44 -17.154 5.841 -7.376 1.00 0.00 O ATOM 640 CB LYS A 44 -17.080 6.502 -10.351 1.00 0.00 C ATOM 641 CG LYS A 44 -17.984 5.496 -11.044 1.00 0.00 C ATOM 642 CD LYS A 44 -17.420 5.074 -12.390 1.00 0.00 C ATOM 643 CE LYS A 44 -18.196 3.905 -12.978 1.00 0.00 C ATOM 644 NZ LYS A 44 -17.560 3.387 -14.221 1.00 0.00 N ATOM 0 H LYS A 44 -15.930 8.174 -8.779 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.710 7.672 -9.574 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.717 7.219 -11.087 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.208 5.982 -9.955 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.108 4.619 -10.409 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.974 5.931 -11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.452 5.917 -13.080 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.372 4.796 -12.276 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.260 3.104 -12.241 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.217 4.219 -13.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.118 2.591 -14.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.522 4.144 -14.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.595 3.063 -14.008 1.00 0.00 H new ATOM 658 N PHE A 45 -19.346 6.022 -7.851 1.00 0.00 N ATOM 659 CA PHE A 45 -19.764 5.124 -6.781 1.00 0.00 C ATOM 660 C PHE A 45 -19.720 3.670 -7.242 1.00 0.00 C ATOM 661 O PHE A 45 -20.096 3.353 -8.371 1.00 0.00 O ATOM 662 CB PHE A 45 -21.176 5.479 -6.311 1.00 0.00 C ATOM 663 CG PHE A 45 -21.213 6.609 -5.322 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.639 6.468 -4.068 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.821 7.811 -5.645 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.670 7.506 -3.156 1.00 0.00 C ATOM 667 CE2 PHE A 45 -21.855 8.852 -4.737 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.280 8.699 -3.490 1.00 0.00 C ATOM 0 H PHE A 45 -20.112 6.399 -8.409 1.00 0.00 H new ATOM 0 HA PHE A 45 -19.070 5.244 -5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.782 5.745 -7.177 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -21.633 4.598 -5.861 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -20.162 5.537 -3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -22.274 7.936 -6.618 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.218 7.384 -2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.331 9.785 -5.002 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.308 9.511 -2.778 1.00 0.00 H new ATOM 678 N THR A 46 -19.257 2.790 -6.360 1.00 0.00 N ATOM 679 CA THR A 46 -19.161 1.370 -6.676 1.00 0.00 C ATOM 680 C THR A 46 -20.523 0.693 -6.582 1.00 0.00 C ATOM 681 O THR A 46 -20.814 -0.245 -7.325 1.00 0.00 O ATOM 682 CB THR A 46 -18.176 0.650 -5.735 1.00 0.00 C ATOM 683 OG1 THR A 46 -17.649 -0.516 -6.377 1.00 0.00 O ATOM 684 CG2 THR A 46 -18.860 0.254 -4.436 1.00 0.00 C ATOM 0 H THR A 46 -18.943 3.035 -5.421 1.00 0.00 H new ATOM 0 HA THR A 46 -18.792 1.298 -7.699 1.00 0.00 H new ATOM 0 HB THR A 46 -17.362 1.336 -5.504 1.00 0.00 H new ATOM 0 HG1 THR A 46 -17.023 -0.967 -5.773 1.00 0.00 H new ATOM 0 HG21 THR A 46 -18.145 -0.253 -3.788 1.00 0.00 H new ATOM 0 HG22 THR A 46 -19.234 1.147 -3.935 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.692 -0.416 -4.652 1.00 0.00 H new ATOM 692 N ASP A 47 -21.355 1.173 -5.664 1.00 0.00 N ATOM 693 CA ASP A 47 -22.688 0.614 -5.474 1.00 0.00 C ATOM 694 C ASP A 47 -23.292 0.182 -6.807 1.00 0.00 C ATOM 695 O ASP A 47 -23.817 -0.924 -6.932 1.00 0.00 O ATOM 696 CB ASP A 47 -23.601 1.636 -4.794 1.00 0.00 C ATOM 697 CG ASP A 47 -23.289 1.800 -3.320 1.00 0.00 C ATOM 698 OD1 ASP A 47 -22.806 0.827 -2.703 1.00 0.00 O ATOM 699 OD2 ASP A 47 -23.528 2.902 -2.782 1.00 0.00 O ATOM 0 H ASP A 47 -21.130 1.948 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 47 -22.599 -0.264 -4.835 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.499 2.599 -5.293 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -24.639 1.325 -4.910 1.00 0.00 H new ATOM 704 N TYR A 48 -23.213 1.062 -7.799 1.00 0.00 N ATOM 705 CA TYR A 48 -23.755 0.773 -9.121 1.00 0.00 C ATOM 706 C TYR A 48 -22.762 1.160 -10.213 1.00 0.00 C ATOM 707 O TYR A 48 -22.542 0.410 -11.163 1.00 0.00 O ATOM 708 CB TYR A 48 -25.074 1.517 -9.329 1.00 0.00 C ATOM 709 CG TYR A 48 -26.073 1.303 -8.213 1.00 0.00 C ATOM 710 CD1 TYR A 48 -25.841 1.809 -6.940 1.00 0.00 C ATOM 711 CD2 TYR A 48 -27.248 0.596 -8.434 1.00 0.00 C ATOM 712 CE1 TYR A 48 -26.750 1.614 -5.918 1.00 0.00 C ATOM 713 CE2 TYR A 48 -28.164 0.399 -7.418 1.00 0.00 C ATOM 714 CZ TYR A 48 -27.910 0.909 -6.162 1.00 0.00 C ATOM 715 OH TYR A 48 -28.818 0.715 -5.147 1.00 0.00 O ATOM 0 H TYR A 48 -22.779 1.981 -7.713 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.938 -0.300 -9.184 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.869 2.583 -9.422 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.519 1.194 -10.270 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -24.935 2.364 -6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -27.449 0.194 -9.416 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -26.553 2.012 -4.933 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -29.074 -0.151 -7.607 1.00 0.00 H new ATOM 0 HH TYR A 48 -29.581 0.200 -5.484 1.00 0.00 H new ATOM 725 N GLY A 49 -22.163 2.339 -10.068 1.00 0.00 N ATOM 726 CA GLY A 49 -21.200 2.807 -11.048 1.00 0.00 C ATOM 727 C GLY A 49 -21.613 4.119 -11.686 1.00 0.00 C ATOM 728 O GLY A 49 -21.418 4.322 -12.883 1.00 0.00 O ATOM 0 H GLY A 49 -22.328 2.978 -9.290 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -20.229 2.929 -10.569 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.079 2.051 -11.824 1.00 0.00 H new ATOM 732 N ASN A 50 -22.187 5.010 -10.884 1.00 0.00 N ATOM 733 CA ASN A 50 -22.631 6.308 -11.379 1.00 0.00 C ATOM 734 C ASN A 50 -21.777 7.432 -10.799 1.00 0.00 C ATOM 735 O ASN A 50 -21.283 7.334 -9.676 1.00 0.00 O ATOM 736 CB ASN A 50 -24.102 6.536 -11.025 1.00 0.00 C ATOM 737 CG ASN A 50 -24.439 6.067 -9.623 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.858 4.927 -9.422 1.00 0.00 O ATOM 739 ND2 ASN A 50 -24.258 6.947 -8.645 1.00 0.00 N ATOM 0 H ASN A 50 -22.355 4.857 -9.890 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.520 6.313 -12.463 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.334 7.597 -11.116 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.731 6.009 -11.742 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.468 6.689 -7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -23.909 7.881 -8.858 1.00 0.00 H new ATOM 746 N TYR A 51 -21.609 8.499 -11.572 1.00 0.00 N ATOM 747 CA TYR A 51 -20.814 9.641 -11.137 1.00 0.00 C ATOM 748 C TYR A 51 -21.654 10.605 -10.305 1.00 0.00 C ATOM 749 O TYR A 51 -22.819 10.855 -10.615 1.00 0.00 O ATOM 750 CB TYR A 51 -20.227 10.371 -12.346 1.00 0.00 C ATOM 751 CG TYR A 51 -19.534 9.455 -13.329 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.279 8.927 -13.052 1.00 0.00 C ATOM 753 CD2 TYR A 51 -20.135 9.115 -14.535 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.642 8.090 -13.948 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.506 8.278 -15.436 1.00 0.00 C ATOM 756 CZ TYR A 51 -18.260 7.768 -15.138 1.00 0.00 C ATOM 757 OH TYR A 51 -17.630 6.934 -16.032 1.00 0.00 O ATOM 0 H TYR A 51 -22.013 8.597 -12.503 1.00 0.00 H new ATOM 0 HA TYR A 51 -20.000 9.268 -10.516 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.026 10.905 -12.861 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.516 11.120 -11.997 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.793 9.175 -12.120 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.111 9.512 -14.772 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.666 7.690 -13.718 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -19.988 8.024 -16.369 1.00 0.00 H new ATOM 0 HH TYR A 51 -18.200 6.807 -16.819 1.00 0.00 H new ATOM 767 N GLU A 52 -21.054 11.143 -9.248 1.00 0.00 N ATOM 768 CA GLU A 52 -21.747 12.079 -8.371 1.00 0.00 C ATOM 769 C GLU A 52 -20.839 13.246 -7.994 1.00 0.00 C ATOM 770 O GLU A 52 -19.712 13.047 -7.542 1.00 0.00 O ATOM 771 CB GLU A 52 -22.231 11.366 -7.107 1.00 0.00 C ATOM 772 CG GLU A 52 -23.622 10.769 -7.240 1.00 0.00 C ATOM 773 CD GLU A 52 -24.639 11.767 -7.759 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.563 12.950 -7.365 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.509 11.366 -8.560 1.00 0.00 O ATOM 0 H GLU A 52 -20.090 10.947 -8.978 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.609 12.472 -8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.527 10.573 -6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.226 12.072 -6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.583 9.913 -7.913 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -23.947 10.396 -6.269 1.00 0.00 H new ATOM 782 N GLU A 53 -21.338 14.463 -8.185 1.00 0.00 N ATOM 783 CA GLU A 53 -20.571 15.661 -7.866 1.00 0.00 C ATOM 784 C GLU A 53 -20.559 15.916 -6.362 1.00 0.00 C ATOM 785 O GLU A 53 -21.537 16.407 -5.796 1.00 0.00 O ATOM 786 CB GLU A 53 -21.151 16.875 -8.596 1.00 0.00 C ATOM 787 CG GLU A 53 -20.314 18.134 -8.445 1.00 0.00 C ATOM 788 CD GLU A 53 -20.852 19.293 -9.260 1.00 0.00 C ATOM 789 OE1 GLU A 53 -21.276 19.062 -10.412 1.00 0.00 O ATOM 790 OE2 GLU A 53 -20.849 20.432 -8.747 1.00 0.00 O ATOM 0 H GLU A 53 -22.269 14.645 -8.559 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.545 15.503 -8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.248 16.639 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.155 17.069 -8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.280 18.419 -7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.289 17.924 -8.752 1.00 0.00 H new ATOM 797 N VAL A 54 -19.447 15.577 -5.718 1.00 0.00 N ATOM 798 CA VAL A 54 -19.307 15.769 -4.280 1.00 0.00 C ATOM 799 C VAL A 54 -18.105 16.651 -3.957 1.00 0.00 C ATOM 800 O VAL A 54 -17.103 16.640 -4.673 1.00 0.00 O ATOM 801 CB VAL A 54 -19.153 14.424 -3.546 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.559 14.561 -2.087 1.00 0.00 C ATOM 803 CG2 VAL A 54 -19.974 13.344 -4.237 1.00 0.00 C ATOM 0 H VAL A 54 -18.629 15.168 -6.170 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.218 16.260 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 54 -18.104 14.130 -3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.443 13.600 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -18.925 15.303 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.600 14.878 -2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.854 12.400 -3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -21.026 13.630 -4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.631 13.228 -5.265 1.00 0.00 H new ATOM 813 N LEU A 55 -18.212 17.413 -2.875 1.00 0.00 N ATOM 814 CA LEU A 55 -17.134 18.302 -2.456 1.00 0.00 C ATOM 815 C LEU A 55 -15.947 17.505 -1.924 1.00 0.00 C ATOM 816 O LEU A 55 -16.117 16.447 -1.317 1.00 0.00 O ATOM 817 CB LEU A 55 -17.633 19.271 -1.383 1.00 0.00 C ATOM 818 CG LEU A 55 -18.275 20.563 -1.891 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.321 21.063 -0.907 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.213 21.627 -2.130 1.00 0.00 C ATOM 0 H LEU A 55 -19.034 17.433 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.806 18.870 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.359 18.749 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.793 19.535 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.770 20.352 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -19.767 21.983 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.097 20.307 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.850 21.258 0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.687 22.540 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.690 21.835 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.501 21.269 -2.874 1.00 0.00 H new ATOM 832 N LEU A 56 -14.744 18.020 -2.155 1.00 0.00 N ATOM 833 CA LEU A 56 -13.528 17.358 -1.698 1.00 0.00 C ATOM 834 C LEU A 56 -13.502 17.256 -0.176 1.00 0.00 C ATOM 835 O LEU A 56 -12.864 16.366 0.385 1.00 0.00 O ATOM 836 CB LEU A 56 -12.294 18.117 -2.191 1.00 0.00 C ATOM 837 CG LEU A 56 -12.216 18.365 -3.697 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.292 19.535 -3.999 1.00 0.00 C ATOM 839 CD2 LEU A 56 -11.745 17.111 -4.421 1.00 0.00 C ATOM 0 H LEU A 56 -14.585 18.894 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.516 16.350 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.257 19.080 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.406 17.562 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.214 18.615 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.249 19.696 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.672 20.433 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.292 19.315 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.696 17.306 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.757 16.830 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.445 16.297 -4.233 1.00 0.00 H new ATOM 851 N SER A 57 -14.202 18.173 0.485 1.00 0.00 N ATOM 852 CA SER A 57 -14.258 18.187 1.942 1.00 0.00 C ATOM 853 C SER A 57 -15.159 17.071 2.462 1.00 0.00 C ATOM 854 O SER A 57 -15.126 16.732 3.644 1.00 0.00 O ATOM 855 CB SER A 57 -14.765 19.542 2.440 1.00 0.00 C ATOM 856 OG SER A 57 -14.746 19.605 3.856 1.00 0.00 O ATOM 0 H SER A 57 -14.738 18.915 0.035 1.00 0.00 H new ATOM 0 HA SER A 57 -13.250 18.022 2.322 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.145 20.339 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.780 19.709 2.079 1.00 0.00 H new ATOM 0 HG SER A 57 -14.751 18.697 4.224 1.00 0.00 H new ATOM 862 N ASN A 58 -15.963 16.504 1.568 1.00 0.00 N ATOM 863 CA ASN A 58 -16.875 15.427 1.936 1.00 0.00 C ATOM 864 C ASN A 58 -16.375 14.086 1.405 1.00 0.00 C ATOM 865 O ASN A 58 -17.161 13.171 1.163 1.00 0.00 O ATOM 866 CB ASN A 58 -18.278 15.710 1.395 1.00 0.00 C ATOM 867 CG ASN A 58 -18.881 16.970 1.986 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.328 17.560 2.915 1.00 0.00 O ATOM 869 ND2 ASN A 58 -20.021 17.388 1.449 1.00 0.00 N ATOM 0 H ASN A 58 -16.001 16.772 0.585 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.916 15.376 3.024 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.234 15.806 0.310 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.927 14.862 1.614 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.474 18.230 1.805 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.444 16.868 0.680 1.00 0.00 H new ATOM 876 N ILE A 59 -15.062 13.979 1.228 1.00 0.00 N ATOM 877 CA ILE A 59 -14.457 12.751 0.727 1.00 0.00 C ATOM 878 C ILE A 59 -13.427 12.206 1.710 1.00 0.00 C ATOM 879 O ILE A 59 -12.621 12.956 2.262 1.00 0.00 O ATOM 880 CB ILE A 59 -13.781 12.972 -0.638 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.587 13.967 -1.476 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.631 11.650 -1.376 1.00 0.00 C ATOM 883 CD1 ILE A 59 -14.107 14.081 -2.906 1.00 0.00 C ATOM 0 H ILE A 59 -14.397 14.728 1.424 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.263 12.027 0.610 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.787 13.387 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.634 13.665 -1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.538 14.949 -1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -13.151 11.823 -2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -13.019 10.970 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.615 11.208 -1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.724 14.803 -3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -13.069 14.413 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.182 13.109 -3.394 1.00 0.00 H new ATOM 895 N LYS A 60 -13.456 10.895 1.923 1.00 0.00 N ATOM 896 CA LYS A 60 -12.523 10.247 2.837 1.00 0.00 C ATOM 897 C LYS A 60 -11.628 9.262 2.092 1.00 0.00 C ATOM 898 O LYS A 60 -12.069 8.537 1.200 1.00 0.00 O ATOM 899 CB LYS A 60 -13.286 9.520 3.947 1.00 0.00 C ATOM 900 CG LYS A 60 -14.554 10.234 4.382 1.00 0.00 C ATOM 901 CD LYS A 60 -14.258 11.337 5.383 1.00 0.00 C ATOM 902 CE LYS A 60 -13.973 12.659 4.688 1.00 0.00 C ATOM 903 NZ LYS A 60 -14.292 13.824 5.560 1.00 0.00 N ATOM 0 H LYS A 60 -14.116 10.260 1.475 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.894 11.018 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.543 8.518 3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.631 9.403 4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.052 10.657 3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.244 9.515 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.106 11.455 6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.401 11.054 5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.923 12.698 4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.559 12.721 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.084 14.706 5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.300 13.801 5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.715 13.779 6.424 1.00 0.00 H new ATOM 917 N PRO A 61 -10.340 9.232 2.466 1.00 0.00 N ATOM 918 CA PRO A 61 -9.356 8.338 1.847 1.00 0.00 C ATOM 919 C PRO A 61 -9.596 6.875 2.205 1.00 0.00 C ATOM 920 O PRO A 61 -10.072 6.563 3.297 1.00 0.00 O ATOM 921 CB PRO A 61 -8.024 8.819 2.429 1.00 0.00 C ATOM 922 CG PRO A 61 -8.386 9.457 3.726 1.00 0.00 C ATOM 923 CD PRO A 61 -9.745 10.067 3.523 1.00 0.00 C ATOM 0 HA PRO A 61 -9.400 8.375 0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.333 7.989 2.575 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.534 9.528 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.405 8.722 4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.655 10.216 4.005 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.338 10.041 4.437 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.675 11.111 3.218 1.00 0.00 H new ATOM 931 N VAL A 62 -9.263 5.982 1.279 1.00 0.00 N ATOM 932 CA VAL A 62 -9.441 4.551 1.498 1.00 0.00 C ATOM 933 C VAL A 62 -8.146 3.903 1.974 1.00 0.00 C ATOM 934 O VAL A 62 -7.085 4.111 1.387 1.00 0.00 O ATOM 935 CB VAL A 62 -9.916 3.842 0.215 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.082 2.350 0.460 1.00 0.00 C ATOM 937 CG2 VAL A 62 -11.215 4.457 -0.283 1.00 0.00 C ATOM 0 H VAL A 62 -8.869 6.224 0.370 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.204 4.441 2.269 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.158 3.977 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.418 1.866 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.127 1.923 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.820 2.190 1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.536 3.944 -1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -11.983 4.354 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.058 5.514 -0.500 1.00 0.00 H new