USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=13 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 Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 20:sc= -2.2 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.34) USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= -0.058 (180deg=-0.441) USER MOD Single : A 27 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 35 HIS : no HD1:sc= -0.634 K(o=-0.63,f=-1.7) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 165:sc=-0.00933 (180deg=-0.245) 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= -0.744 K(o=-0.74,f=-1.4) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -32:sc= 0.137 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 60 LYS NZ :NH3+ -123:sc= 0.948 (180deg=-0.432) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 -4.374 16.044 -1.320 1.00 0.00 N ATOM 89 CA VAL A 9 -4.657 16.296 -2.728 1.00 0.00 C ATOM 90 C VAL A 9 -5.235 15.057 -3.402 1.00 0.00 C ATOM 91 O VAL A 9 -4.688 13.960 -3.282 1.00 0.00 O ATOM 92 CB VAL A 9 -3.390 16.735 -3.485 1.00 0.00 C ATOM 93 CG1 VAL A 9 -3.731 17.123 -4.916 1.00 0.00 C ATOM 94 CG2 VAL A 9 -2.709 17.886 -2.760 1.00 0.00 C ATOM 0 HA VAL A 9 -5.390 17.102 -2.765 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.697 15.895 -3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.824 17.430 -5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.171 16.268 -5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.443 17.949 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.815 18.184 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.394 18.732 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.429 17.569 -1.756 1.00 0.00 H new ATOM 104 N TRP A 10 -6.343 15.239 -4.111 1.00 0.00 N ATOM 105 CA TRP A 10 -6.996 14.135 -4.806 1.00 0.00 C ATOM 106 C TRP A 10 -6.455 13.988 -6.224 1.00 0.00 C ATOM 107 O TRP A 10 -5.871 14.921 -6.776 1.00 0.00 O ATOM 108 CB TRP A 10 -8.509 14.353 -4.845 1.00 0.00 C ATOM 109 CG TRP A 10 -9.170 14.167 -3.512 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.787 15.128 -2.762 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.278 12.947 -2.772 1.00 0.00 C ATOM 112 NE1 TRP A 10 -10.272 14.578 -1.600 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.974 13.241 -1.583 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.858 11.633 -2.999 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -10.255 12.270 -0.625 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -9.137 10.671 -2.047 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.831 10.993 -0.873 1.00 0.00 C ATOM 0 H TRP A 10 -6.808 16.140 -4.220 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.782 13.217 -4.258 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.715 15.360 -5.207 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -8.950 13.660 -5.561 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.880 16.167 -3.041 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.773 15.083 -0.869 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.325 11.374 -3.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.788 12.516 0.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.815 9.653 -2.211 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -10.035 10.218 -0.149 1.00 0.00 H new ATOM 128 N LYS A 11 -6.651 12.811 -6.809 1.00 0.00 N ATOM 129 CA LYS A 11 -6.185 12.542 -8.164 1.00 0.00 C ATOM 130 C LYS A 11 -7.063 11.497 -8.844 1.00 0.00 C ATOM 131 O LYS A 11 -7.700 10.668 -8.194 1.00 0.00 O ATOM 132 CB LYS A 11 -4.731 12.064 -8.139 1.00 0.00 C ATOM 133 CG LYS A 11 -3.925 12.628 -6.982 1.00 0.00 C ATOM 134 CD LYS A 11 -2.449 12.294 -7.116 1.00 0.00 C ATOM 135 CE LYS A 11 -1.575 13.358 -6.468 1.00 0.00 C ATOM 136 NZ LYS A 11 -1.515 13.201 -4.989 1.00 0.00 N ATOM 0 H LYS A 11 -7.130 12.027 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.247 13.469 -8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.716 10.975 -8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.250 12.343 -9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.052 13.710 -6.942 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.306 12.227 -6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.250 11.327 -6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.190 12.202 -8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.568 13.301 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.964 14.346 -6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.910 13.944 -4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.473 13.281 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.120 12.268 -4.755 1.00 0.00 H new ATOM 150 N PRO A 12 -7.098 11.534 -10.184 1.00 0.00 N ATOM 151 CA PRO A 12 -7.893 10.595 -10.982 1.00 0.00 C ATOM 152 C PRO A 12 -7.333 9.178 -10.938 1.00 0.00 C ATOM 153 O PRO A 12 -6.293 8.893 -11.530 1.00 0.00 O ATOM 154 CB PRO A 12 -7.797 11.165 -12.399 1.00 0.00 C ATOM 155 CG PRO A 12 -6.524 11.937 -12.412 1.00 0.00 C ATOM 156 CD PRO A 12 -6.364 12.495 -11.025 1.00 0.00 C ATOM 0 HA PRO A 12 -8.914 10.508 -10.611 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.786 10.371 -13.145 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.650 11.804 -12.627 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.682 11.297 -12.675 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.560 12.736 -13.152 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.315 12.561 -10.737 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.781 13.499 -10.945 1.00 0.00 H new ATOM 164 N GLY A 13 -8.030 8.292 -10.233 1.00 0.00 N ATOM 165 CA GLY A 13 -7.586 6.915 -10.125 1.00 0.00 C ATOM 166 C GLY A 13 -7.279 6.514 -8.696 1.00 0.00 C ATOM 167 O GLY A 13 -6.345 5.752 -8.445 1.00 0.00 O ATOM 0 H GLY A 13 -8.894 8.504 -9.735 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.356 6.256 -10.526 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.695 6.775 -10.738 1.00 0.00 H new ATOM 171 N ASP A 14 -8.064 7.030 -7.757 1.00 0.00 N ATOM 172 CA ASP A 14 -7.871 6.722 -6.345 1.00 0.00 C ATOM 173 C ASP A 14 -9.203 6.413 -5.669 1.00 0.00 C ATOM 174 O ASP A 14 -10.169 7.162 -5.808 1.00 0.00 O ATOM 175 CB ASP A 14 -7.184 7.890 -5.636 1.00 0.00 C ATOM 176 CG ASP A 14 -5.685 7.905 -5.862 1.00 0.00 C ATOM 177 OD1 ASP A 14 -5.264 7.953 -7.036 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.934 7.868 -4.865 1.00 0.00 O ATOM 0 H ASP A 14 -8.840 7.664 -7.948 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.235 5.839 -6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.611 8.828 -5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.386 7.832 -4.567 1.00 0.00 H new ATOM 183 N GLU A 15 -9.246 5.303 -4.938 1.00 0.00 N ATOM 184 CA GLU A 15 -10.461 4.894 -4.242 1.00 0.00 C ATOM 185 C GLU A 15 -10.712 5.775 -3.022 1.00 0.00 C ATOM 186 O GLU A 15 -9.830 5.955 -2.181 1.00 0.00 O ATOM 187 CB GLU A 15 -10.362 3.428 -3.815 1.00 0.00 C ATOM 188 CG GLU A 15 -10.098 2.474 -4.968 1.00 0.00 C ATOM 189 CD GLU A 15 -9.333 1.238 -4.539 1.00 0.00 C ATOM 190 OE1 GLU A 15 -9.375 0.902 -3.337 1.00 0.00 O ATOM 191 OE2 GLU A 15 -8.692 0.606 -5.405 1.00 0.00 O ATOM 0 H GLU A 15 -8.455 4.672 -4.813 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.299 5.009 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.564 3.326 -3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.289 3.139 -3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.048 2.173 -5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.535 2.994 -5.743 1.00 0.00 H new ATOM 198 N CYS A 16 -11.919 6.322 -2.933 1.00 0.00 N ATOM 199 CA CYS A 16 -12.287 7.186 -1.817 1.00 0.00 C ATOM 200 C CYS A 16 -13.770 7.046 -1.487 1.00 0.00 C ATOM 201 O CYS A 16 -14.535 6.462 -2.254 1.00 0.00 O ATOM 202 CB CYS A 16 -11.961 8.644 -2.144 1.00 0.00 C ATOM 203 SG CYS A 16 -12.900 9.316 -3.535 1.00 0.00 S ATOM 0 H CYS A 16 -12.660 6.183 -3.620 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.708 6.879 -0.946 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.152 9.255 -1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.897 8.727 -2.364 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.957 8.587 -3.738 1.00 0.00 H new ATOM 209 N PHE A 17 -14.168 7.584 -0.339 1.00 0.00 N ATOM 210 CA PHE A 17 -15.559 7.517 0.095 1.00 0.00 C ATOM 211 C PHE A 17 -16.260 8.856 -0.117 1.00 0.00 C ATOM 212 O PHE A 17 -15.849 9.877 0.432 1.00 0.00 O ATOM 213 CB PHE A 17 -15.636 7.116 1.569 1.00 0.00 C ATOM 214 CG PHE A 17 -15.646 5.629 1.787 1.00 0.00 C ATOM 215 CD1 PHE A 17 -16.840 4.929 1.822 1.00 0.00 C ATOM 216 CD2 PHE A 17 -14.460 4.933 1.956 1.00 0.00 C ATOM 217 CE1 PHE A 17 -16.853 3.561 2.021 1.00 0.00 C ATOM 218 CE2 PHE A 17 -14.466 3.566 2.155 1.00 0.00 C ATOM 219 CZ PHE A 17 -15.663 2.879 2.189 1.00 0.00 C ATOM 0 H PHE A 17 -13.547 8.071 0.308 1.00 0.00 H new ATOM 0 HA PHE A 17 -16.066 6.762 -0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.787 7.547 2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.537 7.545 2.007 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.773 5.458 1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.520 5.465 1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -17.791 3.027 2.045 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.535 3.035 2.284 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.669 1.811 2.347 1.00 0.00 H new ATOM 229 N ALA A 18 -17.320 8.841 -0.918 1.00 0.00 N ATOM 230 CA ALA A 18 -18.080 10.052 -1.202 1.00 0.00 C ATOM 231 C ALA A 18 -19.471 9.986 -0.580 1.00 0.00 C ATOM 232 O ALA A 18 -20.160 8.970 -0.680 1.00 0.00 O ATOM 233 CB ALA A 18 -18.181 10.272 -2.704 1.00 0.00 C ATOM 0 H ALA A 18 -17.672 8.004 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.552 10.895 -0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.751 11.180 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.181 10.373 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.684 9.421 -3.163 1.00 0.00 H new ATOM 239 N LEU A 19 -19.879 11.075 0.062 1.00 0.00 N ATOM 240 CA LEU A 19 -21.188 11.141 0.702 1.00 0.00 C ATOM 241 C LEU A 19 -22.294 11.292 -0.338 1.00 0.00 C ATOM 242 O LEU A 19 -22.283 12.226 -1.141 1.00 0.00 O ATOM 243 CB LEU A 19 -21.238 12.308 1.689 1.00 0.00 C ATOM 244 CG LEU A 19 -22.152 12.125 2.900 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.588 11.071 3.841 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.343 13.446 3.630 1.00 0.00 C ATOM 0 H LEU A 19 -19.322 11.925 0.153 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.348 10.209 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.226 12.497 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.557 13.200 1.150 1.00 0.00 H new ATOM 0 HG LEU A 19 -23.125 11.784 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -22.252 10.955 4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.505 10.120 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.602 11.382 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -22.997 13.296 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.376 13.817 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.793 14.173 2.954 1.00 0.00 H new ATOM 258 N TYR A 20 -23.250 10.370 -0.316 1.00 0.00 N ATOM 259 CA TYR A 20 -24.364 10.400 -1.256 1.00 0.00 C ATOM 260 C TYR A 20 -25.210 11.654 -1.058 1.00 0.00 C ATOM 261 O TYR A 20 -25.223 12.243 0.023 1.00 0.00 O ATOM 262 CB TYR A 20 -25.233 9.153 -1.089 1.00 0.00 C ATOM 263 CG TYR A 20 -25.923 8.721 -2.364 1.00 0.00 C ATOM 264 CD1 TYR A 20 -25.230 8.664 -3.567 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.267 8.368 -2.364 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.856 8.270 -4.734 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.900 7.971 -3.526 1.00 0.00 C ATOM 268 CZ TYR A 20 -27.191 7.925 -4.708 1.00 0.00 C ATOM 269 OH TYR A 20 -27.818 7.531 -5.868 1.00 0.00 O ATOM 0 H TYR A 20 -23.276 9.592 0.343 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.954 10.416 -2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.612 8.334 -0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.986 9.345 -0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -24.184 8.932 -3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.826 8.405 -1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.303 8.232 -5.661 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.945 7.698 -3.509 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.756 7.321 -5.678 1.00 0.00 H new ATOM 279 N TRP A 21 -25.914 12.056 -2.110 1.00 0.00 N ATOM 280 CA TRP A 21 -26.764 13.240 -2.053 1.00 0.00 C ATOM 281 C TRP A 21 -28.215 12.856 -1.780 1.00 0.00 C ATOM 282 O TRP A 21 -29.093 13.716 -1.724 1.00 0.00 O ATOM 283 CB TRP A 21 -26.669 14.025 -3.362 1.00 0.00 C ATOM 284 CG TRP A 21 -27.198 13.273 -4.545 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.487 12.470 -5.390 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.550 13.257 -5.016 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.316 11.955 -6.358 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.587 12.422 -6.150 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.734 13.865 -4.589 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.760 12.182 -6.860 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.897 13.626 -5.295 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.904 12.790 -6.419 1.00 0.00 C ATOM 0 H TRP A 21 -25.913 11.580 -3.012 1.00 0.00 H new ATOM 0 HA TRP A 21 -26.414 13.869 -1.234 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -27.221 14.959 -3.258 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.627 14.289 -3.544 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.429 12.269 -5.310 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -27.031 11.327 -7.109 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.739 14.510 -3.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.767 11.539 -7.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.817 14.092 -4.975 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.830 12.622 -6.948 1.00 0.00 H new ATOM 303 N GLU A 22 -28.458 11.560 -1.612 1.00 0.00 N ATOM 304 CA GLU A 22 -29.803 11.064 -1.346 1.00 0.00 C ATOM 305 C GLU A 22 -29.852 10.306 -0.023 1.00 0.00 C ATOM 306 O GLU A 22 -30.925 9.936 0.454 1.00 0.00 O ATOM 307 CB GLU A 22 -30.270 10.155 -2.485 1.00 0.00 C ATOM 308 CG GLU A 22 -31.001 10.895 -3.594 1.00 0.00 C ATOM 309 CD GLU A 22 -32.497 10.970 -3.357 1.00 0.00 C ATOM 310 OE1 GLU A 22 -32.907 11.575 -2.344 1.00 0.00 O ATOM 311 OE2 GLU A 22 -33.257 10.424 -4.184 1.00 0.00 O ATOM 0 H GLU A 22 -27.742 10.835 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.472 11.922 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.405 9.644 -2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -30.927 9.386 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.599 11.905 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.812 10.396 -4.545 1.00 0.00 H new ATOM 318 N ASP A 23 -28.683 10.077 0.564 1.00 0.00 N ATOM 319 CA ASP A 23 -28.590 9.363 1.833 1.00 0.00 C ATOM 320 C ASP A 23 -27.686 10.107 2.810 1.00 0.00 C ATOM 321 O ASP A 23 -27.930 10.112 4.016 1.00 0.00 O ATOM 322 CB ASP A 23 -28.062 7.946 1.607 1.00 0.00 C ATOM 323 CG ASP A 23 -29.123 7.013 1.057 1.00 0.00 C ATOM 324 OD1 ASP A 23 -29.935 7.465 0.224 1.00 0.00 O ATOM 325 OD2 ASP A 23 -29.141 5.831 1.460 1.00 0.00 O ATOM 0 H ASP A 23 -27.786 10.375 0.182 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.590 9.305 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -27.220 7.981 0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -27.685 7.547 2.549 1.00 0.00 H new ATOM 330 N ASN A 24 -26.640 10.734 2.282 1.00 0.00 N ATOM 331 CA ASN A 24 -25.698 11.480 3.108 1.00 0.00 C ATOM 332 C ASN A 24 -24.792 10.533 3.889 1.00 0.00 C ATOM 333 O ASN A 24 -24.393 10.826 5.016 1.00 0.00 O ATOM 334 CB ASN A 24 -26.451 12.397 4.075 1.00 0.00 C ATOM 335 CG ASN A 24 -25.678 13.662 4.391 1.00 0.00 C ATOM 336 OD1 ASN A 24 -25.385 14.463 3.503 1.00 0.00 O ATOM 337 ND2 ASN A 24 -25.343 13.849 5.663 1.00 0.00 N ATOM 0 H ASN A 24 -26.423 10.740 1.285 1.00 0.00 H new ATOM 0 HA ASN A 24 -25.077 12.088 2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -27.416 12.662 3.643 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -26.653 11.857 5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -24.822 14.683 5.936 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -25.606 13.159 6.367 1.00 0.00 H new ATOM 344 N LYS A 25 -24.470 9.396 3.282 1.00 0.00 N ATOM 345 CA LYS A 25 -23.609 8.406 3.917 1.00 0.00 C ATOM 346 C LYS A 25 -22.367 8.142 3.072 1.00 0.00 C ATOM 347 O LYS A 25 -22.424 8.168 1.842 1.00 0.00 O ATOM 348 CB LYS A 25 -24.375 7.100 4.138 1.00 0.00 C ATOM 349 CG LYS A 25 -25.110 7.043 5.466 1.00 0.00 C ATOM 350 CD LYS A 25 -25.219 5.619 5.983 1.00 0.00 C ATOM 351 CE LYS A 25 -26.487 4.941 5.486 1.00 0.00 C ATOM 352 NZ LYS A 25 -27.711 5.565 6.061 1.00 0.00 N ATOM 0 H LYS A 25 -24.793 9.137 2.350 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.293 8.803 4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -25.093 6.969 3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.676 6.265 4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -24.587 7.658 6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.108 7.466 5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -24.349 5.046 5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -25.212 5.625 7.073 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -26.527 4.998 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -26.461 3.884 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -28.486 4.871 6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -27.518 5.873 7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -27.985 6.387 5.485 1.00 0.00 H new ATOM 366 N PHE A 26 -21.246 7.887 3.739 1.00 0.00 N ATOM 367 CA PHE A 26 -19.990 7.617 3.048 1.00 0.00 C ATOM 368 C PHE A 26 -20.036 6.264 2.345 1.00 0.00 C ATOM 369 O PHE A 26 -20.305 5.237 2.968 1.00 0.00 O ATOM 370 CB PHE A 26 -18.823 7.652 4.036 1.00 0.00 C ATOM 371 CG PHE A 26 -18.463 9.037 4.491 1.00 0.00 C ATOM 372 CD1 PHE A 26 -18.043 9.992 3.579 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.545 9.385 5.830 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.710 11.268 3.995 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.214 10.659 6.251 1.00 0.00 C ATOM 376 CZ PHE A 26 -17.798 11.602 5.333 1.00 0.00 C ATOM 0 H PHE A 26 -21.182 7.862 4.757 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.844 8.392 2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.076 7.047 4.906 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.950 7.193 3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.975 9.737 2.532 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -18.871 8.652 6.553 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.381 12.003 3.275 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.281 10.917 7.298 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.542 12.599 5.660 1.00 0.00 H new ATOM 386 N TYR A 27 -19.771 6.271 1.043 1.00 0.00 N ATOM 387 CA TYR A 27 -19.785 5.046 0.253 1.00 0.00 C ATOM 388 C TYR A 27 -18.525 4.933 -0.599 1.00 0.00 C ATOM 389 O TYR A 27 -18.010 5.932 -1.102 1.00 0.00 O ATOM 390 CB TYR A 27 -21.025 5.005 -0.641 1.00 0.00 C ATOM 391 CG TYR A 27 -22.327 4.990 0.128 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.543 4.072 1.148 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.339 5.895 -0.165 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.731 4.055 1.853 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.530 5.887 0.535 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.721 4.964 1.543 1.00 0.00 C ATOM 397 OH TYR A 27 -25.906 4.951 2.244 1.00 0.00 O ATOM 0 H TYR A 27 -19.544 7.112 0.513 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.813 4.201 0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -21.014 5.871 -1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -20.977 4.119 -1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.769 3.360 1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.192 6.618 -0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.884 3.334 2.642 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.306 6.598 0.295 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.496 5.655 1.903 1.00 0.00 H new ATOM 407 N ARG A 28 -18.034 3.709 -0.759 1.00 0.00 N ATOM 408 CA ARG A 28 -16.834 3.464 -1.550 1.00 0.00 C ATOM 409 C ARG A 28 -16.968 4.070 -2.943 1.00 0.00 C ATOM 410 O ARG A 28 -18.031 4.004 -3.560 1.00 0.00 O ATOM 411 CB ARG A 28 -16.567 1.961 -1.659 1.00 0.00 C ATOM 412 CG ARG A 28 -15.095 1.613 -1.805 1.00 0.00 C ATOM 413 CD ARG A 28 -14.409 1.515 -0.452 1.00 0.00 C ATOM 414 NE ARG A 28 -14.843 0.339 0.298 1.00 0.00 N ATOM 415 CZ ARG A 28 -14.348 -0.879 0.107 1.00 0.00 C ATOM 416 NH1 ARG A 28 -13.406 -1.079 -0.804 1.00 0.00 N ATOM 417 NH2 ARG A 28 -14.794 -1.898 0.829 1.00 0.00 N ATOM 0 H ARG A 28 -18.449 2.871 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 28 -15.993 3.940 -1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -16.963 1.465 -0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -17.112 1.565 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.995 0.665 -2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.599 2.371 -2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.329 1.475 -0.595 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.621 2.413 0.128 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.566 0.460 1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.060 -0.297 -1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.027 -2.015 -0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.518 -1.747 1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.413 -2.833 0.682 1.00 0.00 H new ATOM 431 N ALA A 29 -15.883 4.661 -3.433 1.00 0.00 N ATOM 432 CA ALA A 29 -15.879 5.278 -4.754 1.00 0.00 C ATOM 433 C ALA A 29 -14.458 5.430 -5.285 1.00 0.00 C ATOM 434 O ALA A 29 -13.501 4.971 -4.661 1.00 0.00 O ATOM 435 CB ALA A 29 -16.575 6.630 -4.706 1.00 0.00 C ATOM 0 H ALA A 29 -14.995 4.726 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.424 4.625 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.565 7.080 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.606 6.497 -4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.053 7.283 -4.006 1.00 0.00 H new ATOM 441 N GLU A 30 -14.328 6.076 -6.439 1.00 0.00 N ATOM 442 CA GLU A 30 -13.023 6.286 -7.054 1.00 0.00 C ATOM 443 C GLU A 30 -12.969 7.632 -7.770 1.00 0.00 C ATOM 444 O GLU A 30 -13.792 7.920 -8.638 1.00 0.00 O ATOM 445 CB GLU A 30 -12.711 5.159 -8.040 1.00 0.00 C ATOM 446 CG GLU A 30 -11.463 5.405 -8.872 1.00 0.00 C ATOM 447 CD GLU A 30 -11.753 6.180 -10.143 1.00 0.00 C ATOM 448 OE1 GLU A 30 -12.934 6.244 -10.541 1.00 0.00 O ATOM 449 OE2 GLU A 30 -10.798 6.721 -10.739 1.00 0.00 O ATOM 0 H GLU A 30 -15.110 6.463 -6.967 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.273 6.284 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.591 4.227 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.562 5.026 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.735 5.953 -8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.008 4.449 -9.130 1.00 0.00 H new ATOM 456 N VAL A 31 -11.993 8.455 -7.398 1.00 0.00 N ATOM 457 CA VAL A 31 -11.830 9.771 -8.004 1.00 0.00 C ATOM 458 C VAL A 31 -11.843 9.681 -9.525 1.00 0.00 C ATOM 459 O VAL A 31 -10.966 9.063 -10.127 1.00 0.00 O ATOM 460 CB VAL A 31 -10.518 10.439 -7.551 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.346 11.791 -8.227 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.489 10.584 -6.037 1.00 0.00 C ATOM 0 H VAL A 31 -11.303 8.233 -6.680 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.672 10.379 -7.672 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.685 9.802 -7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.414 12.248 -7.895 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.319 11.656 -9.308 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.182 12.439 -7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.555 11.058 -5.735 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.329 11.199 -5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.562 9.599 -5.576 1.00 0.00 H new ATOM 472 N GLU A 32 -12.844 10.302 -10.141 1.00 0.00 N ATOM 473 CA GLU A 32 -12.971 10.291 -11.594 1.00 0.00 C ATOM 474 C GLU A 32 -12.198 11.450 -12.216 1.00 0.00 C ATOM 475 O GLU A 32 -11.327 11.246 -13.061 1.00 0.00 O ATOM 476 CB GLU A 32 -14.444 10.370 -12.000 1.00 0.00 C ATOM 477 CG GLU A 32 -14.730 9.783 -13.372 1.00 0.00 C ATOM 478 CD GLU A 32 -13.942 10.465 -14.474 1.00 0.00 C ATOM 479 OE1 GLU A 32 -14.245 11.637 -14.782 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.023 9.826 -15.028 1.00 0.00 O ATOM 0 H GLU A 32 -13.578 10.819 -9.657 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.550 9.356 -11.963 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.045 9.846 -11.257 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.760 11.413 -11.987 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.492 8.719 -13.365 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.795 9.870 -13.585 1.00 0.00 H new ATOM 487 N ALA A 33 -12.523 12.667 -11.791 1.00 0.00 N ATOM 488 CA ALA A 33 -11.859 13.858 -12.305 1.00 0.00 C ATOM 489 C ALA A 33 -12.093 15.055 -11.390 1.00 0.00 C ATOM 490 O ALA A 33 -13.218 15.307 -10.955 1.00 0.00 O ATOM 491 CB ALA A 33 -12.343 14.166 -13.714 1.00 0.00 C ATOM 0 H ALA A 33 -13.242 12.853 -11.092 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.787 13.661 -12.336 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.839 15.058 -14.085 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.118 13.324 -14.368 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.419 14.337 -13.700 1.00 0.00 H new ATOM 497 N LEU A 34 -11.025 15.790 -11.100 1.00 0.00 N ATOM 498 CA LEU A 34 -11.114 16.961 -10.235 1.00 0.00 C ATOM 499 C LEU A 34 -11.598 18.179 -11.015 1.00 0.00 C ATOM 500 O LEU A 34 -11.682 18.149 -12.243 1.00 0.00 O ATOM 501 CB LEU A 34 -9.754 17.255 -9.599 1.00 0.00 C ATOM 502 CG LEU A 34 -9.005 16.050 -9.029 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.502 16.268 -9.111 1.00 0.00 C ATOM 504 CD2 LEU A 34 -9.431 15.789 -7.591 1.00 0.00 C ATOM 0 H LEU A 34 -10.087 15.596 -11.451 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.837 16.746 -9.448 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.120 17.730 -10.348 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.899 17.980 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.257 15.174 -9.626 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.986 15.400 -8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.210 16.405 -10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.231 17.155 -8.539 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.888 14.928 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.209 16.665 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.502 15.587 -7.560 1.00 0.00 H new ATOM 516 N HIS A 35 -11.912 19.251 -10.294 1.00 0.00 N ATOM 517 CA HIS A 35 -12.384 20.481 -10.920 1.00 0.00 C ATOM 518 C HIS A 35 -11.254 21.500 -11.036 1.00 0.00 C ATOM 519 O HIS A 35 -10.188 21.329 -10.446 1.00 0.00 O ATOM 520 CB HIS A 35 -13.541 21.075 -10.116 1.00 0.00 C ATOM 521 CG HIS A 35 -14.321 22.111 -10.865 1.00 0.00 C ATOM 522 ND1 HIS A 35 -14.396 23.430 -10.469 1.00 0.00 N ATOM 523 CD2 HIS A 35 -15.062 22.017 -11.994 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.151 24.101 -11.320 1.00 0.00 C ATOM 525 NE2 HIS A 35 -15.567 23.267 -12.256 1.00 0.00 N ATOM 0 H HIS A 35 -11.848 19.293 -9.277 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.735 20.238 -11.923 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.214 20.272 -9.816 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.147 21.519 -9.202 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -15.226 21.125 -12.580 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.388 25.153 -11.261 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -16.166 23.511 -13.045 1.00 0.00 H new ATOM 534 N SER A 36 -11.496 22.559 -11.802 1.00 0.00 N ATOM 535 CA SER A 36 -10.497 23.603 -11.999 1.00 0.00 C ATOM 536 C SER A 36 -10.345 24.454 -10.742 1.00 0.00 C ATOM 537 O SER A 36 -9.250 24.580 -10.193 1.00 0.00 O ATOM 538 CB SER A 36 -10.882 24.489 -13.186 1.00 0.00 C ATOM 539 OG SER A 36 -9.881 25.458 -13.445 1.00 0.00 O ATOM 0 H SER A 36 -12.374 22.717 -12.296 1.00 0.00 H new ATOM 0 HA SER A 36 -9.541 23.122 -12.208 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.032 23.871 -14.071 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.830 24.987 -12.980 1.00 0.00 H new ATOM 0 HG SER A 36 -10.150 26.010 -14.209 1.00 0.00 H new ATOM 545 N SER A 37 -11.451 25.037 -10.293 1.00 0.00 N ATOM 546 CA SER A 37 -11.442 25.880 -9.103 1.00 0.00 C ATOM 547 C SER A 37 -10.837 25.137 -7.915 1.00 0.00 C ATOM 548 O SER A 37 -9.824 25.557 -7.356 1.00 0.00 O ATOM 549 CB SER A 37 -12.862 26.336 -8.763 1.00 0.00 C ATOM 550 OG SER A 37 -13.263 27.414 -9.591 1.00 0.00 O ATOM 0 H SER A 37 -12.365 24.941 -10.735 1.00 0.00 H new ATOM 0 HA SER A 37 -10.828 26.755 -9.314 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.554 25.503 -8.885 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.909 26.639 -7.717 1.00 0.00 H new ATOM 0 HG SER A 37 -14.174 27.686 -9.355 1.00 0.00 H new ATOM 556 N GLY A 38 -11.466 24.029 -7.536 1.00 0.00 N ATOM 557 CA GLY A 38 -10.976 23.244 -6.417 1.00 0.00 C ATOM 558 C GLY A 38 -11.979 23.162 -5.283 1.00 0.00 C ATOM 559 O GLY A 38 -11.607 23.223 -4.112 1.00 0.00 O ATOM 0 H GLY A 38 -12.306 23.661 -7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.737 22.237 -6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.049 23.683 -6.047 1.00 0.00 H new ATOM 563 N MET A 39 -13.254 23.027 -5.632 1.00 0.00 N ATOM 564 CA MET A 39 -14.314 22.938 -4.634 1.00 0.00 C ATOM 565 C MET A 39 -14.944 21.549 -4.632 1.00 0.00 C ATOM 566 O MET A 39 -15.141 20.946 -3.577 1.00 0.00 O ATOM 567 CB MET A 39 -15.385 23.996 -4.900 1.00 0.00 C ATOM 568 CG MET A 39 -16.002 23.902 -6.287 1.00 0.00 C ATOM 569 SD MET A 39 -17.254 25.166 -6.578 1.00 0.00 S ATOM 570 CE MET A 39 -16.673 25.870 -8.119 1.00 0.00 C ATOM 0 H MET A 39 -13.578 22.977 -6.598 1.00 0.00 H new ATOM 0 HA MET A 39 -13.872 23.118 -3.654 1.00 0.00 H new ATOM 0 HB2 MET A 39 -16.173 23.899 -4.153 1.00 0.00 H new ATOM 0 HB3 MET A 39 -14.946 24.986 -4.773 1.00 0.00 H new ATOM 0 HG2 MET A 39 -15.216 23.995 -7.037 1.00 0.00 H new ATOM 0 HG3 MET A 39 -16.450 22.916 -6.415 1.00 0.00 H new ATOM 0 HE1 MET A 39 -17.346 26.669 -8.431 1.00 0.00 H new ATOM 0 HE2 MET A 39 -15.670 26.274 -7.979 1.00 0.00 H new ATOM 0 HE3 MET A 39 -16.649 25.096 -8.886 1.00 0.00 H new ATOM 580 N THR A 40 -15.259 21.045 -5.822 1.00 0.00 N ATOM 581 CA THR A 40 -15.868 19.728 -5.957 1.00 0.00 C ATOM 582 C THR A 40 -15.117 18.877 -6.976 1.00 0.00 C ATOM 583 O THR A 40 -14.261 19.377 -7.705 1.00 0.00 O ATOM 584 CB THR A 40 -17.345 19.833 -6.382 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.435 20.317 -7.727 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.111 20.762 -5.452 1.00 0.00 C ATOM 0 H THR A 40 -15.102 21.530 -6.706 1.00 0.00 H new ATOM 0 HA THR A 40 -15.812 19.252 -4.978 1.00 0.00 H new ATOM 0 HB THR A 40 -17.788 18.839 -6.323 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.377 20.379 -7.990 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.151 20.820 -5.772 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.066 20.376 -4.434 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.666 21.756 -5.483 1.00 0.00 H new ATOM 594 N ALA A 41 -15.445 17.590 -7.020 1.00 0.00 N ATOM 595 CA ALA A 41 -14.803 16.670 -7.952 1.00 0.00 C ATOM 596 C ALA A 41 -15.728 15.510 -8.302 1.00 0.00 C ATOM 597 O ALA A 41 -16.476 15.021 -7.455 1.00 0.00 O ATOM 598 CB ALA A 41 -13.499 16.150 -7.366 1.00 0.00 C ATOM 0 H ALA A 41 -16.151 17.161 -6.422 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.584 17.215 -8.870 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.031 15.464 -8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.828 16.987 -7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.703 15.626 -6.432 1.00 0.00 H new ATOM 604 N VAL A 42 -15.673 15.073 -9.556 1.00 0.00 N ATOM 605 CA VAL A 42 -16.505 13.969 -10.018 1.00 0.00 C ATOM 606 C VAL A 42 -15.954 12.629 -9.544 1.00 0.00 C ATOM 607 O VAL A 42 -14.863 12.219 -9.940 1.00 0.00 O ATOM 608 CB VAL A 42 -16.613 13.952 -11.555 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.552 12.846 -12.012 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.079 15.305 -12.070 1.00 0.00 C ATOM 0 H VAL A 42 -15.061 15.467 -10.270 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.497 14.122 -9.593 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.625 13.751 -11.970 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.616 12.849 -13.100 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.171 11.882 -11.674 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.543 13.013 -11.590 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.150 15.276 -13.157 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.057 15.537 -11.649 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.364 16.073 -11.774 1.00 0.00 H new ATOM 620 N VAL A 43 -16.716 11.949 -8.693 1.00 0.00 N ATOM 621 CA VAL A 43 -16.306 10.654 -8.165 1.00 0.00 C ATOM 622 C VAL A 43 -17.309 9.567 -8.534 1.00 0.00 C ATOM 623 O VAL A 43 -18.520 9.765 -8.437 1.00 0.00 O ATOM 624 CB VAL A 43 -16.151 10.696 -6.633 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.087 11.706 -6.231 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.482 11.019 -5.972 1.00 0.00 C ATOM 0 H VAL A 43 -17.622 12.274 -8.355 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.341 10.421 -8.614 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.831 9.712 -6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -14.992 11.722 -5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.132 11.425 -6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.374 12.697 -6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.354 11.045 -4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.834 11.990 -6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.213 10.254 -6.233 1.00 0.00 H new ATOM 636 N LYS A 44 -16.797 8.416 -8.958 1.00 0.00 N ATOM 637 CA LYS A 44 -17.647 7.295 -9.340 1.00 0.00 C ATOM 638 C LYS A 44 -17.759 6.284 -8.203 1.00 0.00 C ATOM 639 O LYS A 44 -16.751 5.839 -7.654 1.00 0.00 O ATOM 640 CB LYS A 44 -17.091 6.611 -10.592 1.00 0.00 C ATOM 641 CG LYS A 44 -18.119 5.775 -11.335 1.00 0.00 C ATOM 642 CD LYS A 44 -17.515 5.107 -12.559 1.00 0.00 C ATOM 643 CE LYS A 44 -16.576 3.976 -12.170 1.00 0.00 C ATOM 644 NZ LYS A 44 -17.312 2.820 -11.586 1.00 0.00 N ATOM 0 H LYS A 44 -15.797 8.236 -9.046 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.642 7.683 -9.556 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.697 7.371 -11.267 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.254 5.974 -10.306 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.523 5.015 -10.666 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.953 6.408 -11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.312 4.718 -13.193 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.972 5.846 -13.147 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.021 3.647 -13.048 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.845 4.343 -11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.691 1.986 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.608 3.051 -10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.152 2.615 -12.164 1.00 0.00 H new ATOM 658 N PHE A 45 -18.990 5.926 -7.855 1.00 0.00 N ATOM 659 CA PHE A 45 -19.233 4.967 -6.784 1.00 0.00 C ATOM 660 C PHE A 45 -18.872 3.552 -7.228 1.00 0.00 C ATOM 661 O PHE A 45 -18.661 3.295 -8.413 1.00 0.00 O ATOM 662 CB PHE A 45 -20.699 5.018 -6.348 1.00 0.00 C ATOM 663 CG PHE A 45 -21.036 6.223 -5.518 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.611 6.315 -4.202 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.777 7.264 -6.053 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.919 7.423 -3.435 1.00 0.00 C ATOM 667 CE2 PHE A 45 -22.088 8.375 -5.291 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.659 8.454 -3.980 1.00 0.00 C ATOM 0 H PHE A 45 -19.835 6.285 -8.299 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.600 5.236 -5.939 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.334 5.008 -7.234 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -20.932 4.118 -5.779 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -20.032 5.512 -3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -22.116 7.207 -7.077 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.581 7.482 -2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.666 9.180 -5.720 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.902 9.320 -3.383 1.00 0.00 H new ATOM 678 N THR A 46 -18.801 2.637 -6.266 1.00 0.00 N ATOM 679 CA THR A 46 -18.464 1.249 -6.556 1.00 0.00 C ATOM 680 C THR A 46 -19.694 0.354 -6.467 1.00 0.00 C ATOM 681 O THR A 46 -19.833 -0.604 -7.229 1.00 0.00 O ATOM 682 CB THR A 46 -17.387 0.719 -5.590 1.00 0.00 C ATOM 683 OG1 THR A 46 -16.569 1.800 -5.128 1.00 0.00 O ATOM 684 CG2 THR A 46 -16.518 -0.328 -6.269 1.00 0.00 C ATOM 0 H THR A 46 -18.972 2.832 -5.280 1.00 0.00 H new ATOM 0 HA THR A 46 -18.074 1.225 -7.573 1.00 0.00 H new ATOM 0 HB THR A 46 -17.889 0.255 -4.741 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.888 1.455 -4.513 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.765 -0.687 -5.567 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.140 -1.163 -6.593 1.00 0.00 H new ATOM 0 HG23 THR A 46 -16.025 0.114 -7.135 1.00 0.00 H new ATOM 692 N ASP A 47 -20.585 0.672 -5.535 1.00 0.00 N ATOM 693 CA ASP A 47 -21.807 -0.103 -5.348 1.00 0.00 C ATOM 694 C ASP A 47 -22.431 -0.466 -6.692 1.00 0.00 C ATOM 695 O ASP A 47 -22.789 -1.620 -6.930 1.00 0.00 O ATOM 696 CB ASP A 47 -22.810 0.681 -4.501 1.00 0.00 C ATOM 697 CG ASP A 47 -22.622 0.446 -3.015 1.00 0.00 C ATOM 698 OD1 ASP A 47 -21.459 0.400 -2.565 1.00 0.00 O ATOM 699 OD2 ASP A 47 -23.639 0.307 -2.303 1.00 0.00 O ATOM 0 H ASP A 47 -20.485 1.461 -4.897 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.547 -1.025 -4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.707 1.745 -4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.823 0.396 -4.786 1.00 0.00 H new ATOM 704 N TYR A 48 -22.558 0.526 -7.566 1.00 0.00 N ATOM 705 CA TYR A 48 -23.142 0.312 -8.885 1.00 0.00 C ATOM 706 C TYR A 48 -22.213 0.823 -9.982 1.00 0.00 C ATOM 707 O TYR A 48 -21.961 0.134 -10.969 1.00 0.00 O ATOM 708 CB TYR A 48 -24.499 1.012 -8.984 1.00 0.00 C ATOM 709 CG TYR A 48 -25.375 0.809 -7.769 1.00 0.00 C ATOM 710 CD1 TYR A 48 -25.107 1.469 -6.576 1.00 0.00 C ATOM 711 CD2 TYR A 48 -26.473 -0.043 -7.813 1.00 0.00 C ATOM 712 CE1 TYR A 48 -25.904 1.286 -5.463 1.00 0.00 C ATOM 713 CE2 TYR A 48 -27.276 -0.231 -6.705 1.00 0.00 C ATOM 714 CZ TYR A 48 -26.988 0.435 -5.533 1.00 0.00 C ATOM 715 OH TYR A 48 -27.785 0.251 -4.426 1.00 0.00 O ATOM 0 H TYR A 48 -22.265 1.486 -7.385 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.282 -0.760 -9.023 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.338 2.080 -9.131 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.024 0.645 -9.866 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -24.260 2.137 -6.518 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -26.702 -0.567 -8.729 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -25.680 1.806 -4.543 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -28.125 -0.896 -6.757 1.00 0.00 H new ATOM 0 HH TYR A 48 -28.505 -0.378 -4.642 1.00 0.00 H new ATOM 725 N GLY A 49 -21.705 2.039 -9.799 1.00 0.00 N ATOM 726 CA GLY A 49 -20.808 2.622 -10.780 1.00 0.00 C ATOM 727 C GLY A 49 -21.361 3.899 -11.383 1.00 0.00 C ATOM 728 O GLY A 49 -21.252 4.121 -12.588 1.00 0.00 O ATOM 0 H GLY A 49 -21.899 2.630 -8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.847 2.832 -10.310 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.623 1.899 -11.574 1.00 0.00 H new ATOM 732 N ASN A 50 -21.957 4.739 -10.543 1.00 0.00 N ATOM 733 CA ASN A 50 -22.531 5.999 -11.001 1.00 0.00 C ATOM 734 C ASN A 50 -21.732 7.185 -10.471 1.00 0.00 C ATOM 735 O ASN A 50 -21.184 7.135 -9.369 1.00 0.00 O ATOM 736 CB ASN A 50 -23.990 6.111 -10.554 1.00 0.00 C ATOM 737 CG ASN A 50 -24.184 5.699 -9.107 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.454 4.535 -8.812 1.00 0.00 O ATOM 739 ND2 ASN A 50 -24.048 6.656 -8.196 1.00 0.00 N ATOM 0 H ASN A 50 -22.055 4.570 -9.542 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.490 6.014 -12.090 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.330 7.138 -10.685 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.612 5.485 -11.194 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.168 6.439 -7.207 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -23.824 7.608 -8.486 1.00 0.00 H new ATOM 746 N TYR A 51 -21.670 8.250 -11.262 1.00 0.00 N ATOM 747 CA TYR A 51 -20.937 9.449 -10.873 1.00 0.00 C ATOM 748 C TYR A 51 -21.802 10.361 -10.008 1.00 0.00 C ATOM 749 O TYR A 51 -23.030 10.296 -10.055 1.00 0.00 O ATOM 750 CB TYR A 51 -20.461 10.206 -12.115 1.00 0.00 C ATOM 751 CG TYR A 51 -19.707 9.342 -13.099 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.411 8.918 -12.831 1.00 0.00 C ATOM 753 CD2 TYR A 51 -20.290 8.947 -14.297 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.717 8.129 -13.728 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.605 8.157 -15.199 1.00 0.00 C ATOM 756 CZ TYR A 51 -18.319 7.751 -14.910 1.00 0.00 C ATOM 757 OH TYR A 51 -17.632 6.963 -15.806 1.00 0.00 O ATOM 0 H TYR A 51 -22.118 8.308 -12.176 1.00 0.00 H new ATOM 0 HA TYR A 51 -20.070 9.140 -10.289 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.324 10.644 -12.616 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.820 11.031 -11.804 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.938 9.210 -11.905 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.297 9.263 -14.527 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.709 7.810 -13.505 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -20.074 7.859 -16.125 1.00 0.00 H new ATOM 0 HH TYR A 51 -18.198 6.786 -16.586 1.00 0.00 H new ATOM 767 N GLU A 52 -21.151 11.210 -9.220 1.00 0.00 N ATOM 768 CA GLU A 52 -21.860 12.135 -8.344 1.00 0.00 C ATOM 769 C GLU A 52 -20.953 13.286 -7.919 1.00 0.00 C ATOM 770 O GLU A 52 -19.830 13.069 -7.465 1.00 0.00 O ATOM 771 CB GLU A 52 -22.384 11.401 -7.107 1.00 0.00 C ATOM 772 CG GLU A 52 -23.765 10.797 -7.298 1.00 0.00 C ATOM 773 CD GLU A 52 -24.729 11.747 -7.980 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.615 12.970 -7.754 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.597 11.269 -8.740 1.00 0.00 O ATOM 0 H GLU A 52 -20.134 11.277 -9.170 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.704 12.546 -8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.684 10.609 -6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.413 12.096 -6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.680 9.885 -7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.169 10.510 -6.327 1.00 0.00 H new ATOM 782 N GLU A 53 -21.449 14.510 -8.071 1.00 0.00 N ATOM 783 CA GLU A 53 -20.682 15.695 -7.705 1.00 0.00 C ATOM 784 C GLU A 53 -20.660 15.882 -6.190 1.00 0.00 C ATOM 785 O GLU A 53 -21.640 16.327 -5.594 1.00 0.00 O ATOM 786 CB GLU A 53 -21.272 16.938 -8.374 1.00 0.00 C ATOM 787 CG GLU A 53 -20.419 18.184 -8.203 1.00 0.00 C ATOM 788 CD GLU A 53 -21.041 19.409 -8.846 1.00 0.00 C ATOM 789 OE1 GLU A 53 -21.813 20.112 -8.161 1.00 0.00 O ATOM 790 OE2 GLU A 53 -20.754 19.665 -10.034 1.00 0.00 O ATOM 0 H GLU A 53 -22.377 14.707 -8.445 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.658 15.555 -8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.402 16.740 -9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.263 17.127 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.268 18.373 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.435 18.009 -8.639 1.00 0.00 H new ATOM 797 N VAL A 54 -19.534 15.538 -5.574 1.00 0.00 N ATOM 798 CA VAL A 54 -19.382 15.667 -4.130 1.00 0.00 C ATOM 799 C VAL A 54 -18.227 16.599 -3.780 1.00 0.00 C ATOM 800 O VAL A 54 -17.209 16.632 -4.473 1.00 0.00 O ATOM 801 CB VAL A 54 -19.141 14.299 -3.465 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.660 14.300 -2.036 1.00 0.00 C ATOM 803 CG2 VAL A 54 -19.795 13.191 -4.277 1.00 0.00 C ATOM 0 H VAL A 54 -18.713 15.168 -6.053 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.314 16.088 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 54 -18.067 14.113 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.481 13.325 -1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -19.142 15.068 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.730 14.508 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.615 12.231 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -20.868 13.371 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.371 13.177 -5.281 1.00 0.00 H new ATOM 813 N LEU A 55 -18.392 17.357 -2.701 1.00 0.00 N ATOM 814 CA LEU A 55 -17.363 18.291 -2.258 1.00 0.00 C ATOM 815 C LEU A 55 -16.117 17.546 -1.789 1.00 0.00 C ATOM 816 O LEU A 55 -16.211 16.487 -1.166 1.00 0.00 O ATOM 817 CB LEU A 55 -17.899 19.172 -1.128 1.00 0.00 C ATOM 818 CG LEU A 55 -18.676 20.417 -1.559 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.717 20.785 -0.513 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.726 21.581 -1.802 1.00 0.00 C ATOM 0 H LEU A 55 -19.228 17.343 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.090 18.921 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.547 18.564 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.058 19.488 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 55 -19.192 20.195 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -20.260 21.673 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.416 19.958 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.222 20.988 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -18.296 22.458 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.182 21.804 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -17.019 21.316 -2.588 1.00 0.00 H new ATOM 832 N LEU A 56 -14.951 18.106 -2.090 1.00 0.00 N ATOM 833 CA LEU A 56 -13.685 17.496 -1.698 1.00 0.00 C ATOM 834 C LEU A 56 -13.618 17.305 -0.186 1.00 0.00 C ATOM 835 O LEU A 56 -13.030 16.340 0.302 1.00 0.00 O ATOM 836 CB LEU A 56 -12.513 18.361 -2.166 1.00 0.00 C ATOM 837 CG LEU A 56 -12.520 18.759 -3.643 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.342 19.667 -3.956 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.494 17.523 -4.529 1.00 0.00 C ATOM 0 H LEU A 56 -14.856 18.982 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.619 16.517 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.496 19.270 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.587 17.825 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.439 19.308 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.363 19.940 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.406 20.569 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.411 19.145 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.499 17.826 -5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.592 16.946 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.372 16.910 -4.324 1.00 0.00 H new ATOM 851 N SER A 57 -14.227 18.229 0.550 1.00 0.00 N ATOM 852 CA SER A 57 -14.235 18.163 2.006 1.00 0.00 C ATOM 853 C SER A 57 -15.141 17.036 2.494 1.00 0.00 C ATOM 854 O SER A 57 -15.180 16.727 3.684 1.00 0.00 O ATOM 855 CB SER A 57 -14.699 19.496 2.596 1.00 0.00 C ATOM 856 OG SER A 57 -14.417 19.566 3.983 1.00 0.00 O ATOM 0 H SER A 57 -14.721 19.032 0.162 1.00 0.00 H new ATOM 0 HA SER A 57 -13.218 17.960 2.341 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.204 20.318 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.770 19.616 2.433 1.00 0.00 H new ATOM 0 HG SER A 57 -14.482 18.670 4.376 1.00 0.00 H new ATOM 862 N ASN A 58 -15.868 16.426 1.563 1.00 0.00 N ATOM 863 CA ASN A 58 -16.775 15.333 1.897 1.00 0.00 C ATOM 864 C ASN A 58 -16.275 14.014 1.316 1.00 0.00 C ATOM 865 O ASN A 58 -17.060 13.105 1.048 1.00 0.00 O ATOM 866 CB ASN A 58 -18.182 15.632 1.375 1.00 0.00 C ATOM 867 CG ASN A 58 -18.814 16.824 2.068 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.331 17.282 3.104 1.00 0.00 O ATOM 869 ND2 ASN A 58 -19.901 17.331 1.498 1.00 0.00 N ATOM 0 H ASN A 58 -15.847 16.669 0.573 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.809 15.242 2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.136 15.821 0.302 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.814 14.755 1.518 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.371 18.133 1.919 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.266 16.919 0.639 1.00 0.00 H new ATOM 876 N ILE A 59 -14.963 13.918 1.124 1.00 0.00 N ATOM 877 CA ILE A 59 -14.358 12.710 0.576 1.00 0.00 C ATOM 878 C ILE A 59 -13.222 12.214 1.463 1.00 0.00 C ATOM 879 O ILE A 59 -12.441 13.006 1.993 1.00 0.00 O ATOM 880 CB ILE A 59 -13.818 12.947 -0.847 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.749 13.884 -1.620 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.662 11.623 -1.581 1.00 0.00 C ATOM 883 CD1 ILE A 59 -14.383 14.029 -3.080 1.00 0.00 C ATOM 0 H ILE A 59 -14.299 14.662 1.340 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.142 11.954 0.537 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.838 13.418 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.771 13.511 -1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.733 14.867 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -13.280 11.806 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.964 10.986 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.630 11.127 -1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -15.085 14.707 -3.565 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -13.373 14.431 -3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.427 13.054 -3.565 1.00 0.00 H new ATOM 895 N LYS A 60 -13.133 10.898 1.620 1.00 0.00 N ATOM 896 CA LYS A 60 -12.090 10.293 2.440 1.00 0.00 C ATOM 897 C LYS A 60 -11.313 9.247 1.648 1.00 0.00 C ATOM 898 O LYS A 60 -11.876 8.482 0.864 1.00 0.00 O ATOM 899 CB LYS A 60 -12.701 9.653 3.689 1.00 0.00 C ATOM 900 CG LYS A 60 -13.901 10.408 4.234 1.00 0.00 C ATOM 901 CD LYS A 60 -13.503 11.768 4.781 1.00 0.00 C ATOM 902 CE LYS A 60 -14.719 12.576 5.207 1.00 0.00 C ATOM 903 NZ LYS A 60 -15.075 12.333 6.632 1.00 0.00 N ATOM 0 H LYS A 60 -13.771 10.229 1.190 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.399 11.080 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.001 8.632 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.938 9.591 4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.641 10.535 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.373 9.822 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.835 11.637 5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.947 12.318 4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.520 13.637 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.567 12.319 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.058 11.998 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.439 11.613 7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.977 13.218 7.170 1.00 0.00 H new ATOM 917 N PRO A 61 -9.988 9.209 1.856 1.00 0.00 N ATOM 918 CA PRO A 61 -9.106 8.259 1.172 1.00 0.00 C ATOM 919 C PRO A 61 -9.320 6.825 1.645 1.00 0.00 C ATOM 920 O PRO A 61 -9.464 6.570 2.841 1.00 0.00 O ATOM 921 CB PRO A 61 -7.703 8.742 1.548 1.00 0.00 C ATOM 922 CG PRO A 61 -7.885 9.462 2.840 1.00 0.00 C ATOM 923 CD PRO A 61 -9.249 10.090 2.776 1.00 0.00 C ATOM 0 HA PRO A 61 -9.289 8.234 0.098 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.012 7.906 1.654 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.292 9.400 0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.811 8.775 3.683 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.113 10.219 2.977 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.719 10.130 3.758 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.203 11.113 2.403 1.00 0.00 H new ATOM 931 N VAL A 62 -9.340 5.891 0.699 1.00 0.00 N ATOM 932 CA VAL A 62 -9.535 4.482 1.019 1.00 0.00 C ATOM 933 C VAL A 62 -8.200 3.776 1.228 1.00 0.00 C ATOM 934 O VAL A 62 -7.234 4.031 0.510 1.00 0.00 O ATOM 935 CB VAL A 62 -10.319 3.757 -0.091 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.171 2.250 0.048 1.00 0.00 C ATOM 937 CG2 VAL A 62 -11.785 4.162 -0.058 1.00 0.00 C ATOM 0 H VAL A 62 -9.223 6.085 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.111 4.444 1.944 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.906 4.051 -1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.732 1.755 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.118 1.979 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.557 1.934 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -12.324 3.641 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.214 3.898 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.869 5.238 -0.210 1.00 0.00 H new