USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 14 CYS SG : rot -93:sc= -19.2! USER MOD Set 1.2: A 64 CYS SG : rot -40:sc= -17.6! USER MOD Single : A 10 LYS NZ :NH3+ -174:sc= -3.1 (180deg=-3.49) USER MOD Single : A 23 CYS SG : rot 34:sc= 0.584 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0665 USER MOD Single : A 30 TYR OH : rot 159:sc= -0.939 USER MOD Single : A 32 TYR OH : rot -66:sc= 1.04 USER MOD Single : A 33 ASN : amide:sc= 0.132! K(o=0.13!,f=-3.4) USER MOD Single : A 34 ASN : amide:sc= -1.94! C(o=-1.9!,f=-5.2!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 36 THR OG1 : rot 150:sc= -0.126 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.06! K(o=-2.1!,f=-2.7) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.72! C(o=-1.7!,f=-5.8!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.59 K(o=-2.6,f=-12!) USER MOD Single : A 53 ASN : amide:sc= -5.9! C(o=-5.9!,f=-6.1!) USER MOD Single : A 56 THR OG1 : rot -170:sc= -1.55 USER MOD Single : A 61 LYS NZ :NH3+ 169:sc= -3.96! (180deg=-4.53!) USER MOD Single : A 62 ASN : amide:sc= -0.0118 X(o=-0.012,f=-0.054) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 7.254 21.230 -4.644 1.00 1.00 N ATOM 146 CA LYS A 10 7.609 22.014 -5.815 1.00 1.00 C ATOM 147 C LYS A 10 6.391 22.129 -6.734 1.00 1.00 C ATOM 148 O LYS A 10 5.770 21.096 -7.022 1.00 1.00 O ATOM 149 CB LYS A 10 8.843 21.423 -6.500 1.00 1.00 C ATOM 150 CG LYS A 10 9.588 22.491 -7.303 1.00 1.00 C ATOM 151 CD LYS A 10 11.031 22.062 -7.578 1.00 1.00 C ATOM 152 CE LYS A 10 11.510 22.588 -8.933 1.00 1.00 C ATOM 153 NZ LYS A 10 12.981 22.648 -8.971 1.00 1.00 N ATOM 0 HA LYS A 10 7.888 23.027 -5.526 1.00 1.00 H new ATOM 0 HB2 LYS A 10 9.509 20.995 -5.751 1.00 1.00 H new ATOM 0 HB3 LYS A 10 8.542 20.610 -7.161 1.00 1.00 H new ATOM 0 HG2 LYS A 10 9.071 22.668 -8.246 1.00 1.00 H new ATOM 0 HG3 LYS A 10 9.583 23.433 -6.755 1.00 1.00 H new ATOM 0 HD2 LYS A 10 11.682 22.436 -6.788 1.00 1.00 H new ATOM 0 HD3 LYS A 10 11.101 20.974 -7.561 1.00 1.00 H new ATOM 0 HE2 LYS A 10 11.146 21.941 -9.731 1.00 1.00 H new ATOM 0 HE3 LYS A 10 11.095 23.580 -9.112 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 13.287 23.101 -9.856 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 13.327 23.201 -8.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 13.369 21.684 -8.923 1.00 1.00 H new ATOM 167 N PRO A 11 6.080 23.363 -7.168 1.00 1.00 N ATOM 168 CA PRO A 11 4.956 23.645 -8.045 1.00 1.00 C ATOM 169 C PRO A 11 5.052 22.832 -9.338 1.00 1.00 C ATOM 170 O PRO A 11 6.091 22.914 -10.010 1.00 1.00 O ATOM 171 CB PRO A 11 5.008 25.146 -8.282 1.00 1.00 C ATOM 172 CG PRO A 11 6.418 25.577 -7.912 1.00 1.00 C ATOM 173 CD PRO A 11 7.068 24.438 -7.144 1.00 1.00 C ATOM 0 HA PRO A 11 4.000 23.357 -7.608 1.00 1.00 H new ATOM 0 HB2 PRO A 11 4.787 25.385 -9.322 1.00 1.00 H new ATOM 0 HB3 PRO A 11 4.268 25.664 -7.671 1.00 1.00 H new ATOM 0 HG2 PRO A 11 6.993 25.810 -8.808 1.00 1.00 H new ATOM 0 HG3 PRO A 11 6.393 26.482 -7.305 1.00 1.00 H new ATOM 0 HD2 PRO A 11 8.002 24.128 -7.612 1.00 1.00 H new ATOM 0 HD3 PRO A 11 7.306 24.734 -6.122 1.00 1.00 H new ATOM 181 N ASP A 12 3.986 22.077 -9.656 1.00 1.00 N ATOM 182 CA ASP A 12 3.951 21.259 -10.856 1.00 1.00 C ATOM 183 C ASP A 12 4.004 22.166 -12.087 1.00 1.00 C ATOM 184 O ASP A 12 4.524 21.725 -13.123 1.00 1.00 O ATOM 185 CB ASP A 12 2.661 20.440 -10.927 1.00 1.00 C ATOM 186 CG ASP A 12 2.407 19.749 -12.268 1.00 1.00 C ATOM 187 OD1 ASP A 12 3.322 19.169 -12.871 1.00 1.00 O ATOM 188 OD2 ASP A 12 1.193 19.825 -12.700 1.00 1.00 O ATOM 0 H ASP A 12 3.140 22.024 -9.089 1.00 1.00 H new ATOM 0 HA ASP A 12 4.806 20.583 -10.829 1.00 1.00 H new ATOM 0 HB2 ASP A 12 2.686 19.682 -10.144 1.00 1.00 H new ATOM 0 HB3 ASP A 12 1.819 21.097 -10.708 1.00 1.00 H new ATOM 193 N PHE A 13 3.472 23.395 -11.954 1.00 1.00 N ATOM 194 CA PHE A 13 3.459 24.351 -13.047 1.00 1.00 C ATOM 195 C PHE A 13 4.891 24.578 -13.538 1.00 1.00 C ATOM 196 O PHE A 13 5.064 24.902 -14.722 1.00 1.00 O ATOM 197 CB PHE A 13 2.833 25.671 -12.559 1.00 1.00 C ATOM 198 CG PHE A 13 3.744 26.521 -11.683 1.00 1.00 C ATOM 199 CD1 PHE A 13 4.954 27.038 -12.201 1.00 1.00 C ATOM 200 CD2 PHE A 13 3.385 26.791 -10.342 1.00 1.00 C ATOM 201 CE1 PHE A 13 5.797 27.822 -11.384 1.00 1.00 C ATOM 202 CE2 PHE A 13 4.230 27.575 -9.526 1.00 1.00 C ATOM 203 CZ PHE A 13 5.435 28.090 -10.047 1.00 1.00 C ATOM 0 H PHE A 13 3.047 23.738 -11.093 1.00 1.00 H new ATOM 0 HA PHE A 13 2.864 23.967 -13.875 1.00 1.00 H new ATOM 0 HB2 PHE A 13 2.534 26.259 -13.427 1.00 1.00 H new ATOM 0 HB3 PHE A 13 1.925 25.442 -12.001 1.00 1.00 H new ATOM 0 HD1 PHE A 13 5.234 26.833 -13.224 1.00 1.00 H new ATOM 0 HD2 PHE A 13 2.463 26.397 -9.941 1.00 1.00 H new ATOM 0 HE1 PHE A 13 6.720 28.217 -11.783 1.00 1.00 H new ATOM 0 HE2 PHE A 13 3.953 27.780 -8.502 1.00 1.00 H new ATOM 0 HZ PHE A 13 6.081 28.690 -9.423 1.00 1.00 H new ATOM 213 N CYS A 14 5.872 24.405 -12.633 1.00 1.00 N ATOM 214 CA CYS A 14 7.272 24.590 -12.972 1.00 1.00 C ATOM 215 C CYS A 14 7.692 23.524 -13.986 1.00 1.00 C ATOM 216 O CYS A 14 8.481 23.846 -14.887 1.00 1.00 O ATOM 217 CB CYS A 14 8.151 24.564 -11.720 1.00 1.00 C ATOM 218 SG CYS A 14 8.272 26.149 -10.840 1.00 1.00 S ATOM 0 H CYS A 14 5.708 24.137 -11.663 1.00 1.00 H new ATOM 0 HA CYS A 14 7.406 25.572 -13.426 1.00 1.00 H new ATOM 0 HB2 CYS A 14 7.760 23.813 -11.034 1.00 1.00 H new ATOM 0 HB3 CYS A 14 9.154 24.245 -12.004 1.00 1.00 H new ATOM 0 HG CYS A 14 9.314 26.801 -11.262 1.00 1.00 H new ATOM 224 N PHE A 15 7.166 22.297 -13.823 1.00 1.00 N ATOM 225 CA PHE A 15 7.484 21.198 -14.719 1.00 1.00 C ATOM 226 C PHE A 15 6.456 21.155 -15.851 1.00 1.00 C ATOM 227 O PHE A 15 6.312 20.094 -16.477 1.00 1.00 O ATOM 228 CB PHE A 15 7.477 19.878 -13.923 1.00 1.00 C ATOM 229 CG PHE A 15 8.277 19.912 -12.628 1.00 1.00 C ATOM 230 CD1 PHE A 15 9.583 20.455 -12.609 1.00 1.00 C ATOM 231 CD2 PHE A 15 7.719 19.394 -11.437 1.00 1.00 C ATOM 232 CE1 PHE A 15 10.323 20.482 -11.408 1.00 1.00 C ATOM 233 CE2 PHE A 15 8.460 19.421 -10.236 1.00 1.00 C ATOM 234 CZ PHE A 15 9.761 19.965 -10.221 1.00 1.00 C ATOM 0 H PHE A 15 6.518 22.053 -13.074 1.00 1.00 H new ATOM 0 HA PHE A 15 8.474 21.340 -15.153 1.00 1.00 H new ATOM 0 HB2 PHE A 15 6.445 19.616 -13.690 1.00 1.00 H new ATOM 0 HB3 PHE A 15 7.872 19.085 -14.558 1.00 1.00 H new ATOM 0 HD1 PHE A 15 10.015 20.850 -13.517 1.00 1.00 H new ATOM 0 HD2 PHE A 15 6.723 18.976 -11.446 1.00 1.00 H new ATOM 0 HE1 PHE A 15 11.319 20.898 -11.397 1.00 1.00 H new ATOM 0 HE2 PHE A 15 8.030 19.025 -9.328 1.00 1.00 H new ATOM 0 HZ PHE A 15 10.327 19.986 -9.302 1.00 1.00 H new ATOM 244 N LEU A 16 5.774 22.289 -16.089 1.00 1.00 N ATOM 245 CA LEU A 16 4.771 22.379 -17.137 1.00 1.00 C ATOM 246 C LEU A 16 5.405 22.982 -18.392 1.00 1.00 C ATOM 247 O LEU A 16 6.206 23.918 -18.257 1.00 1.00 O ATOM 248 CB LEU A 16 3.544 23.145 -16.639 1.00 1.00 C ATOM 249 CG LEU A 16 2.208 22.405 -16.732 1.00 1.00 C ATOM 250 CD1 LEU A 16 2.199 21.175 -15.822 1.00 1.00 C ATOM 251 CD2 LEU A 16 1.038 23.345 -16.436 1.00 1.00 C ATOM 0 H LEU A 16 5.908 23.152 -15.562 1.00 1.00 H new ATOM 0 HA LEU A 16 4.411 21.386 -17.407 1.00 1.00 H new ATOM 0 HB2 LEU A 16 3.711 23.422 -15.598 1.00 1.00 H new ATOM 0 HB3 LEU A 16 3.464 24.072 -17.207 1.00 1.00 H new ATOM 0 HG LEU A 16 2.085 22.050 -17.755 1.00 1.00 H new ATOM 0 HD11 LEU A 16 1.238 20.667 -15.907 1.00 1.00 H new ATOM 0 HD12 LEU A 16 2.997 20.495 -16.121 1.00 1.00 H new ATOM 0 HD13 LEU A 16 2.355 21.486 -14.789 1.00 1.00 H new ATOM 0 HD21 LEU A 16 0.101 22.793 -16.509 1.00 1.00 H new ATOM 0 HD22 LEU A 16 1.143 23.751 -15.430 1.00 1.00 H new ATOM 0 HD23 LEU A 16 1.036 24.162 -17.158 1.00 1.00 H new ATOM 263 N GLU A 17 5.038 22.444 -19.569 1.00 1.00 N ATOM 264 CA GLU A 17 5.567 22.925 -20.834 1.00 1.00 C ATOM 265 C GLU A 17 5.341 24.435 -20.934 1.00 1.00 C ATOM 266 O GLU A 17 4.395 24.933 -20.307 1.00 1.00 O ATOM 267 CB GLU A 17 4.934 22.197 -22.021 1.00 1.00 C ATOM 268 CG GLU A 17 5.827 21.050 -22.500 1.00 1.00 C ATOM 269 CD GLU A 17 5.996 21.084 -24.020 1.00 1.00 C ATOM 270 OE1 GLU A 17 6.153 22.168 -24.602 1.00 1.00 O ATOM 271 OE2 GLU A 17 5.961 19.932 -24.599 1.00 1.00 O ATOM 0 H GLU A 17 4.375 21.674 -19.658 1.00 1.00 H new ATOM 0 HA GLU A 17 6.636 22.717 -20.868 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.957 21.807 -21.734 1.00 1.00 H new ATOM 0 HB3 GLU A 17 4.769 22.900 -22.838 1.00 1.00 H new ATOM 0 HG2 GLU A 17 6.803 21.120 -22.020 1.00 1.00 H new ATOM 0 HG3 GLU A 17 5.392 20.096 -22.200 1.00 1.00 H new ATOM 278 N GLU A 18 6.200 25.123 -21.709 1.00 1.00 N ATOM 279 CA GLU A 18 6.094 26.561 -21.887 1.00 1.00 C ATOM 280 C GLU A 18 4.887 26.873 -22.773 1.00 1.00 C ATOM 281 O GLU A 18 4.535 26.028 -23.609 1.00 1.00 O ATOM 282 CB GLU A 18 7.376 27.149 -22.479 1.00 1.00 C ATOM 283 CG GLU A 18 7.330 27.136 -24.009 1.00 1.00 C ATOM 284 CD GLU A 18 8.693 26.764 -24.595 1.00 1.00 C ATOM 285 OE1 GLU A 18 9.676 27.501 -24.202 1.00 1.00 O ATOM 286 OE2 GLU A 18 8.789 25.815 -25.388 1.00 1.00 O ATOM 0 H GLU A 18 6.973 24.694 -22.218 1.00 1.00 H new ATOM 0 HA GLU A 18 5.953 27.025 -20.911 1.00 1.00 H new ATOM 0 HB2 GLU A 18 7.509 28.171 -22.124 1.00 1.00 H new ATOM 0 HB3 GLU A 18 8.237 26.577 -22.133 1.00 1.00 H new ATOM 0 HG2 GLU A 18 6.578 26.424 -24.348 1.00 1.00 H new ATOM 0 HG3 GLU A 18 7.028 28.117 -24.376 1.00 1.00 H new ATOM 293 N ASP A 19 4.287 28.061 -22.577 1.00 1.00 N ATOM 294 CA ASP A 19 3.131 28.477 -23.353 1.00 1.00 C ATOM 295 C ASP A 19 3.108 30.004 -23.445 1.00 1.00 C ATOM 296 O ASP A 19 2.908 30.654 -22.409 1.00 1.00 O ATOM 297 CB ASP A 19 1.829 28.023 -22.690 1.00 1.00 C ATOM 298 CG ASP A 19 0.648 27.839 -23.644 1.00 1.00 C ATOM 299 OD1 ASP A 19 0.631 26.911 -24.468 1.00 1.00 O ATOM 300 OD2 ASP A 19 -0.297 28.708 -23.517 1.00 1.00 O ATOM 0 H ASP A 19 4.593 28.743 -21.883 1.00 1.00 H new ATOM 0 HA ASP A 19 3.208 28.025 -24.342 1.00 1.00 H new ATOM 0 HB2 ASP A 19 2.011 27.080 -22.175 1.00 1.00 H new ATOM 0 HB3 ASP A 19 1.552 28.753 -21.930 1.00 1.00 H new ATOM 305 N PRO A 20 3.308 30.537 -24.664 1.00 1.00 N ATOM 306 CA PRO A 20 3.316 31.967 -24.923 1.00 1.00 C ATOM 307 C PRO A 20 1.891 32.503 -25.081 1.00 1.00 C ATOM 308 O PRO A 20 1.673 33.346 -25.963 1.00 1.00 O ATOM 309 CB PRO A 20 4.156 32.135 -26.178 1.00 1.00 C ATOM 310 CG PRO A 20 4.200 30.766 -26.837 1.00 1.00 C ATOM 311 CD PRO A 20 3.707 29.745 -25.824 1.00 1.00 C ATOM 0 HA PRO A 20 3.737 32.542 -24.098 1.00 1.00 H new ATOM 0 HB2 PRO A 20 3.716 32.876 -26.846 1.00 1.00 H new ATOM 0 HB3 PRO A 20 5.159 32.483 -25.933 1.00 1.00 H new ATOM 0 HG2 PRO A 20 3.574 30.752 -27.729 1.00 1.00 H new ATOM 0 HG3 PRO A 20 5.215 30.528 -27.156 1.00 1.00 H new ATOM 0 HD2 PRO A 20 2.869 29.169 -26.218 1.00 1.00 H new ATOM 0 HD3 PRO A 20 4.491 29.032 -25.566 1.00 1.00 H new ATOM 319 N GLY A 21 0.966 32.013 -24.236 1.00 1.00 N ATOM 320 CA GLY A 21 -0.422 32.441 -24.282 1.00 1.00 C ATOM 321 C GLY A 21 -0.816 32.725 -25.733 1.00 1.00 C ATOM 322 O GLY A 21 -0.271 32.066 -26.631 1.00 1.00 O ATOM 0 H GLY A 21 1.167 31.319 -23.516 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -1.067 31.669 -23.863 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -0.559 33.335 -23.674 1.00 1.00 H new ATOM 326 N ILE A 22 -1.738 33.683 -25.930 1.00 1.00 N ATOM 327 CA ILE A 22 -2.198 34.048 -27.259 1.00 1.00 C ATOM 328 C ILE A 22 -1.635 35.422 -27.630 1.00 1.00 C ATOM 329 O ILE A 22 -0.726 35.479 -28.471 1.00 1.00 O ATOM 330 CB ILE A 22 -3.723 33.966 -27.340 1.00 1.00 C ATOM 331 CG1 ILE A 22 -4.339 33.829 -25.946 1.00 1.00 C ATOM 332 CG2 ILE A 22 -4.163 32.838 -28.275 1.00 1.00 C ATOM 333 CD1 ILE A 22 -5.865 33.749 -26.027 1.00 1.00 C ATOM 0 H ILE A 22 -2.174 34.214 -25.176 1.00 1.00 H new ATOM 0 HA ILE A 22 -1.825 33.340 -27.999 1.00 1.00 H new ATOM 0 HB ILE A 22 -4.093 34.899 -27.765 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -3.950 32.935 -25.459 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -4.048 34.680 -25.330 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -5.252 32.802 -28.314 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -3.770 33.020 -29.275 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -3.782 31.887 -27.903 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -6.278 33.652 -25.023 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -6.253 34.655 -26.493 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -6.153 32.883 -26.623 1.00 1.00 H new ATOM 345 N CYS A 23 -2.178 36.483 -27.006 1.00 1.00 N ATOM 346 CA CYS A 23 -1.732 37.841 -27.268 1.00 1.00 C ATOM 347 C CYS A 23 -0.216 37.845 -27.473 1.00 1.00 C ATOM 348 O CYS A 23 0.514 37.884 -26.472 1.00 1.00 O ATOM 349 CB CYS A 23 -2.159 38.788 -26.146 1.00 1.00 C ATOM 350 SG CYS A 23 -1.294 38.539 -24.568 1.00 1.00 S ATOM 0 H CYS A 23 -2.927 36.414 -26.317 1.00 1.00 H new ATOM 0 HA CYS A 23 -2.205 38.206 -28.180 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -1.997 39.815 -26.475 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -3.230 38.672 -25.979 1.00 1.00 H new ATOM 0 HG CYS A 23 -0.070 38.166 -24.798 1.00 1.00 H new ATOM 356 N ARG A 24 0.220 37.806 -28.745 1.00 1.00 N ATOM 357 CA ARG A 24 1.635 37.806 -29.074 1.00 1.00 C ATOM 358 C ARG A 24 2.342 38.897 -28.267 1.00 1.00 C ATOM 359 O ARG A 24 1.652 39.657 -27.573 1.00 1.00 O ATOM 360 CB ARG A 24 1.867 38.055 -30.566 1.00 1.00 C ATOM 361 CG ARG A 24 1.083 39.278 -31.047 1.00 1.00 C ATOM 362 CD ARG A 24 1.960 40.532 -31.029 1.00 1.00 C ATOM 363 NE ARG A 24 1.368 41.550 -30.134 1.00 1.00 N ATOM 364 CZ ARG A 24 0.333 42.348 -30.474 1.00 1.00 C ATOM 365 NH1 ARG A 24 -0.207 42.226 -31.695 1.00 1.00 N ATOM 366 NH2 ARG A 24 -0.147 43.248 -29.605 1.00 1.00 N ATOM 0 H ARG A 24 -0.398 37.774 -29.556 1.00 1.00 H new ATOM 0 HA ARG A 24 2.039 36.824 -28.826 1.00 1.00 H new ATOM 0 HB2 ARG A 24 2.931 38.204 -30.752 1.00 1.00 H new ATOM 0 HB3 ARG A 24 1.564 37.177 -31.136 1.00 1.00 H new ATOM 0 HG2 ARG A 24 0.713 39.103 -32.057 1.00 1.00 H new ATOM 0 HG3 ARG A 24 0.212 39.430 -30.410 1.00 1.00 H new ATOM 0 HD2 ARG A 24 2.965 40.278 -30.691 1.00 1.00 H new ATOM 0 HD3 ARG A 24 2.055 40.934 -32.038 1.00 1.00 H new ATOM 0 HE ARG A 24 1.767 41.656 -29.201 1.00 1.00 H new ATOM 0 HH11 ARG A 24 0.164 41.538 -32.351 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -0.989 42.821 -31.968 1.00 1.00 H new ATOM 0 HH21 ARG A 24 0.270 43.335 -28.678 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -0.929 43.847 -29.871 1.00 1.00 H new ATOM 380 N GLY A 25 3.682 38.951 -28.372 1.00 1.00 N ATOM 381 CA GLY A 25 4.471 39.939 -27.657 1.00 1.00 C ATOM 382 C GLY A 25 5.930 39.482 -27.609 1.00 1.00 C ATOM 383 O GLY A 25 6.820 40.346 -27.633 1.00 1.00 O ATOM 0 H GLY A 25 4.231 38.315 -28.950 1.00 1.00 H new ATOM 0 HA2 GLY A 25 4.397 40.907 -28.152 1.00 1.00 H new ATOM 0 HA3 GLY A 25 4.085 40.067 -26.646 1.00 1.00 H new ATOM 387 N TYR A 26 6.144 38.156 -27.542 1.00 1.00 N ATOM 388 CA TYR A 26 7.508 37.658 -27.489 1.00 1.00 C ATOM 389 C TYR A 26 8.290 38.437 -26.430 1.00 1.00 C ATOM 390 O TYR A 26 8.938 39.428 -26.796 1.00 1.00 O ATOM 391 CB TYR A 26 8.159 37.769 -28.880 1.00 1.00 C ATOM 392 CG TYR A 26 7.565 36.842 -29.931 1.00 1.00 C ATOM 393 CD1 TYR A 26 6.511 35.965 -29.586 1.00 1.00 C ATOM 394 CD2 TYR A 26 8.057 36.854 -31.257 1.00 1.00 C ATOM 395 CE1 TYR A 26 5.955 35.106 -30.557 1.00 1.00 C ATOM 396 CE2 TYR A 26 7.501 35.995 -32.228 1.00 1.00 C ATOM 397 CZ TYR A 26 6.450 35.120 -31.879 1.00 1.00 C ATOM 398 OH TYR A 26 5.910 34.286 -32.817 1.00 1.00 O ATOM 0 H TYR A 26 5.415 37.443 -27.524 1.00 1.00 H new ATOM 0 HA TYR A 26 7.513 36.605 -27.207 1.00 1.00 H new ATOM 0 HB2 TYR A 26 8.068 38.798 -29.228 1.00 1.00 H new ATOM 0 HB3 TYR A 26 9.224 37.557 -28.787 1.00 1.00 H new ATOM 0 HD1 TYR A 26 6.130 35.953 -28.575 1.00 1.00 H new ATOM 0 HD2 TYR A 26 8.861 37.523 -31.527 1.00 1.00 H new ATOM 0 HE1 TYR A 26 5.150 34.437 -30.289 1.00 1.00 H new ATOM 0 HE2 TYR A 26 7.880 36.007 -33.239 1.00 1.00 H new ATOM 0 HH TYR A 26 6.363 34.422 -33.675 1.00 1.00 H new ATOM 408 N ILE A 27 8.211 37.993 -25.163 1.00 1.00 N ATOM 409 CA ILE A 27 8.900 38.656 -24.069 1.00 1.00 C ATOM 410 C ILE A 27 9.918 37.693 -23.455 1.00 1.00 C ATOM 411 O ILE A 27 9.497 36.680 -22.876 1.00 1.00 O ATOM 412 CB ILE A 27 7.894 39.213 -23.060 1.00 1.00 C ATOM 413 CG1 ILE A 27 6.573 39.571 -23.745 1.00 1.00 C ATOM 414 CG2 ILE A 27 8.483 40.400 -22.296 1.00 1.00 C ATOM 415 CD1 ILE A 27 5.550 38.444 -23.586 1.00 1.00 C ATOM 0 H ILE A 27 7.672 37.174 -24.882 1.00 1.00 H new ATOM 0 HA ILE A 27 9.457 39.518 -24.437 1.00 1.00 H new ATOM 0 HB ILE A 27 7.678 38.435 -22.328 1.00 1.00 H new ATOM 0 HG12 ILE A 27 6.175 40.491 -23.317 1.00 1.00 H new ATOM 0 HG13 ILE A 27 6.748 39.761 -24.804 1.00 1.00 H new ATOM 0 HG21 ILE A 27 7.747 40.777 -21.586 1.00 1.00 H new ATOM 0 HG22 ILE A 27 9.376 40.080 -21.759 1.00 1.00 H new ATOM 0 HG23 ILE A 27 8.746 41.190 -22.999 1.00 1.00 H new ATOM 0 HD11 ILE A 27 4.620 38.724 -24.082 1.00 1.00 H new ATOM 0 HD12 ILE A 27 5.941 37.532 -24.036 1.00 1.00 H new ATOM 0 HD13 ILE A 27 5.359 38.273 -22.527 1.00 1.00 H new ATOM 427 N THR A 28 11.215 38.021 -23.589 1.00 1.00 N ATOM 428 CA THR A 28 12.279 37.191 -23.050 1.00 1.00 C ATOM 429 C THR A 28 11.881 36.699 -21.657 1.00 1.00 C ATOM 430 O THR A 28 12.161 37.408 -20.679 1.00 1.00 O ATOM 431 CB THR A 28 13.580 37.996 -23.062 1.00 1.00 C ATOM 432 OG1 THR A 28 13.616 38.579 -24.361 1.00 1.00 O ATOM 433 CG2 THR A 28 14.822 37.103 -23.020 1.00 1.00 C ATOM 0 H THR A 28 11.541 38.860 -24.069 1.00 1.00 H new ATOM 0 HA THR A 28 12.442 36.302 -23.659 1.00 1.00 H new ATOM 0 HB THR A 28 13.593 38.676 -22.210 1.00 1.00 H new ATOM 0 HG1 THR A 28 14.428 39.120 -24.454 1.00 1.00 H new ATOM 0 HG21 THR A 28 15.717 37.724 -23.030 1.00 1.00 H new ATOM 0 HG22 THR A 28 14.808 36.502 -22.111 1.00 1.00 H new ATOM 0 HG23 THR A 28 14.827 36.445 -23.889 1.00 1.00 H new ATOM 441 N ARG A 29 11.246 35.515 -21.595 1.00 1.00 N ATOM 442 CA ARG A 29 10.815 34.937 -20.333 1.00 1.00 C ATOM 443 C ARG A 29 11.488 33.576 -20.145 1.00 1.00 C ATOM 444 O ARG A 29 11.903 32.980 -21.149 1.00 1.00 O ATOM 445 CB ARG A 29 9.297 34.759 -20.284 1.00 1.00 C ATOM 446 CG ARG A 29 8.585 36.114 -20.276 1.00 1.00 C ATOM 447 CD ARG A 29 8.215 36.530 -18.851 1.00 1.00 C ATOM 448 NE ARG A 29 7.193 37.600 -18.885 1.00 1.00 N ATOM 449 CZ ARG A 29 6.391 37.915 -17.846 1.00 1.00 C ATOM 450 NH1 ARG A 29 6.511 37.228 -16.702 1.00 1.00 N ATOM 451 NH2 ARG A 29 5.489 38.900 -17.957 1.00 1.00 N ATOM 0 H ARG A 29 11.025 34.947 -22.413 1.00 1.00 H new ATOM 0 HA ARG A 29 11.102 35.619 -19.533 1.00 1.00 H new ATOM 0 HB2 ARG A 29 8.968 34.176 -21.144 1.00 1.00 H new ATOM 0 HB3 ARG A 29 9.022 34.195 -19.393 1.00 1.00 H new ATOM 0 HG2 ARG A 29 9.230 36.870 -20.724 1.00 1.00 H new ATOM 0 HG3 ARG A 29 7.685 36.060 -20.888 1.00 1.00 H new ATOM 0 HD2 ARG A 29 7.835 35.670 -18.300 1.00 1.00 H new ATOM 0 HD3 ARG A 29 9.102 36.880 -18.324 1.00 1.00 H new ATOM 0 HE ARG A 29 7.088 38.133 -19.748 1.00 1.00 H new ATOM 0 HH11 ARG A 29 7.200 36.480 -16.626 1.00 1.00 H new ATOM 0 HH12 ARG A 29 5.913 37.453 -15.907 1.00 1.00 H new ATOM 0 HH21 ARG A 29 5.405 39.418 -18.832 1.00 1.00 H new ATOM 0 HH22 ARG A 29 4.887 39.132 -17.167 1.00 1.00 H new ATOM 465 N TYR A 30 11.580 33.120 -18.883 1.00 1.00 N ATOM 466 CA TYR A 30 12.212 31.835 -18.636 1.00 1.00 C ATOM 467 C TYR A 30 11.176 30.862 -18.069 1.00 1.00 C ATOM 468 O TYR A 30 10.224 31.332 -17.429 1.00 1.00 O ATOM 469 CB TYR A 30 13.409 32.017 -17.684 1.00 1.00 C ATOM 470 CG TYR A 30 14.467 32.993 -18.179 1.00 1.00 C ATOM 471 CD1 TYR A 30 14.195 34.379 -18.230 1.00 1.00 C ATOM 472 CD2 TYR A 30 15.730 32.514 -18.597 1.00 1.00 C ATOM 473 CE1 TYR A 30 15.178 35.279 -18.693 1.00 1.00 C ATOM 474 CE2 TYR A 30 16.713 33.413 -19.059 1.00 1.00 C ATOM 475 CZ TYR A 30 16.439 34.797 -19.107 1.00 1.00 C ATOM 476 OH TYR A 30 17.394 35.665 -19.555 1.00 1.00 O ATOM 0 H TYR A 30 11.236 33.608 -18.056 1.00 1.00 H new ATOM 0 HA TYR A 30 12.593 31.418 -19.568 1.00 1.00 H new ATOM 0 HB2 TYR A 30 13.040 32.361 -16.718 1.00 1.00 H new ATOM 0 HB3 TYR A 30 13.877 31.046 -17.519 1.00 1.00 H new ATOM 0 HD1 TYR A 30 13.232 34.750 -17.914 1.00 1.00 H new ATOM 0 HD2 TYR A 30 15.942 31.456 -18.562 1.00 1.00 H new ATOM 0 HE1 TYR A 30 14.966 36.337 -18.731 1.00 1.00 H new ATOM 0 HE2 TYR A 30 17.676 33.042 -19.376 1.00 1.00 H new ATOM 0 HH TYR A 30 18.277 35.246 -19.481 1.00 1.00 H new ATOM 486 N PHE A 31 11.368 29.554 -18.317 1.00 1.00 N ATOM 487 CA PHE A 31 10.446 28.537 -17.842 1.00 1.00 C ATOM 488 C PHE A 31 11.222 27.252 -17.543 1.00 1.00 C ATOM 489 O PHE A 31 12.065 26.867 -18.366 1.00 1.00 O ATOM 490 CB PHE A 31 9.368 28.288 -18.914 1.00 1.00 C ATOM 491 CG PHE A 31 9.789 27.342 -20.031 1.00 1.00 C ATOM 492 CD1 PHE A 31 10.686 27.782 -21.031 1.00 1.00 C ATOM 493 CD2 PHE A 31 9.292 26.018 -20.071 1.00 1.00 C ATOM 494 CE1 PHE A 31 11.082 26.906 -22.065 1.00 1.00 C ATOM 495 CE2 PHE A 31 9.689 25.143 -21.105 1.00 1.00 C ATOM 496 CZ PHE A 31 10.583 25.587 -22.102 1.00 1.00 C ATOM 0 H PHE A 31 12.159 29.188 -18.846 1.00 1.00 H new ATOM 0 HA PHE A 31 9.957 28.870 -16.927 1.00 1.00 H new ATOM 0 HB2 PHE A 31 8.479 27.884 -18.429 1.00 1.00 H new ATOM 0 HB3 PHE A 31 9.084 29.244 -19.354 1.00 1.00 H new ATOM 0 HD1 PHE A 31 11.070 28.791 -21.004 1.00 1.00 H new ATOM 0 HD2 PHE A 31 8.607 25.676 -19.309 1.00 1.00 H new ATOM 0 HE1 PHE A 31 11.767 27.246 -22.828 1.00 1.00 H new ATOM 0 HE2 PHE A 31 9.308 24.133 -21.133 1.00 1.00 H new ATOM 0 HZ PHE A 31 10.885 24.917 -22.893 1.00 1.00 H new ATOM 506 N TYR A 32 10.927 26.625 -16.390 1.00 1.00 N ATOM 507 CA TYR A 32 11.631 25.402 -16.045 1.00 1.00 C ATOM 508 C TYR A 32 11.143 24.266 -16.947 1.00 1.00 C ATOM 509 O TYR A 32 10.002 23.820 -16.757 1.00 1.00 O ATOM 510 CB TYR A 32 11.420 25.081 -14.554 1.00 1.00 C ATOM 511 CG TYR A 32 12.446 24.125 -13.962 1.00 1.00 C ATOM 512 CD1 TYR A 32 13.650 24.620 -13.410 1.00 1.00 C ATOM 513 CD2 TYR A 32 12.202 22.733 -13.969 1.00 1.00 C ATOM 514 CE1 TYR A 32 14.600 23.730 -12.866 1.00 1.00 C ATOM 515 CE2 TYR A 32 13.152 21.842 -13.424 1.00 1.00 C ATOM 516 CZ TYR A 32 14.352 22.340 -12.872 1.00 1.00 C ATOM 517 OH TYR A 32 15.268 21.475 -12.345 1.00 1.00 O ATOM 0 H TYR A 32 10.232 26.938 -15.712 1.00 1.00 H new ATOM 0 HA TYR A 32 12.702 25.526 -16.206 1.00 1.00 H new ATOM 0 HB2 TYR A 32 11.441 26.013 -13.988 1.00 1.00 H new ATOM 0 HB3 TYR A 32 10.426 24.653 -14.425 1.00 1.00 H new ATOM 0 HD1 TYR A 32 13.843 25.683 -13.405 1.00 1.00 H new ATOM 0 HD2 TYR A 32 11.286 22.349 -14.393 1.00 1.00 H new ATOM 0 HE1 TYR A 32 15.518 24.112 -12.445 1.00 1.00 H new ATOM 0 HE2 TYR A 32 12.961 20.779 -13.429 1.00 1.00 H new ATOM 0 HH TYR A 32 16.083 21.489 -12.890 1.00 1.00 H new ATOM 527 N ASN A 33 11.992 23.836 -17.898 1.00 1.00 N ATOM 528 CA ASN A 33 11.637 22.771 -18.821 1.00 1.00 C ATOM 529 C ASN A 33 12.142 21.435 -18.271 1.00 1.00 C ATOM 530 O ASN A 33 13.353 21.315 -18.035 1.00 1.00 O ATOM 531 CB ASN A 33 12.283 22.992 -20.191 1.00 1.00 C ATOM 532 CG ASN A 33 11.563 22.185 -21.273 1.00 1.00 C ATOM 533 OD1 ASN A 33 10.681 21.386 -21.004 1.00 1.00 O ATOM 534 ND2 ASN A 33 11.988 22.437 -22.508 1.00 1.00 N ATOM 0 H ASN A 33 12.927 24.218 -18.038 1.00 1.00 H new ATOM 0 HA ASN A 33 10.552 22.766 -18.929 1.00 1.00 H new ATOM 0 HB2 ASN A 33 12.255 24.052 -20.444 1.00 1.00 H new ATOM 0 HB3 ASN A 33 13.333 22.701 -20.153 1.00 1.00 H new ATOM 0 HD21 ASN A 33 11.571 21.949 -23.300 1.00 1.00 H new ATOM 0 HD22 ASN A 33 12.731 23.119 -22.663 1.00 1.00 H new ATOM 541 N ASN A 34 11.219 20.475 -18.081 1.00 1.00 N ATOM 542 CA ASN A 34 11.569 19.163 -17.565 1.00 1.00 C ATOM 543 C ASN A 34 12.515 18.469 -18.546 1.00 1.00 C ATOM 544 O ASN A 34 13.341 17.660 -18.096 1.00 1.00 O ATOM 545 CB ASN A 34 10.326 18.285 -17.405 1.00 1.00 C ATOM 546 CG ASN A 34 10.713 16.823 -17.175 1.00 1.00 C ATOM 547 OD1 ASN A 34 11.331 16.179 -18.007 1.00 1.00 O ATOM 548 ND2 ASN A 34 10.316 16.336 -16.003 1.00 1.00 N ATOM 0 H ASN A 34 10.226 20.595 -18.281 1.00 1.00 H new ATOM 0 HA ASN A 34 12.043 19.299 -16.593 1.00 1.00 H new ATOM 0 HB2 ASN A 34 9.729 18.643 -16.566 1.00 1.00 H new ATOM 0 HB3 ASN A 34 9.703 18.364 -18.296 1.00 1.00 H new ATOM 0 HD21 ASN A 34 10.526 15.369 -15.755 1.00 1.00 H new ATOM 0 HD22 ASN A 34 9.802 16.929 -15.352 1.00 1.00 H new ATOM 555 N GLN A 35 12.380 18.792 -19.844 1.00 1.00 N ATOM 556 CA GLN A 35 13.217 18.203 -20.875 1.00 1.00 C ATOM 557 C GLN A 35 14.684 18.294 -20.449 1.00 1.00 C ATOM 558 O GLN A 35 15.457 17.390 -20.799 1.00 1.00 O ATOM 559 CB GLN A 35 12.998 18.878 -22.231 1.00 1.00 C ATOM 560 CG GLN A 35 12.966 17.845 -23.359 1.00 1.00 C ATOM 561 CD GLN A 35 12.239 18.397 -24.587 1.00 1.00 C ATOM 562 OE1 GLN A 35 12.292 19.577 -24.894 1.00 1.00 O ATOM 563 NE2 GLN A 35 11.559 17.481 -25.270 1.00 1.00 N ATOM 0 H GLN A 35 11.694 19.461 -20.193 1.00 1.00 H new ATOM 0 HA GLN A 35 12.940 17.155 -20.993 1.00 1.00 H new ATOM 0 HB2 GLN A 35 12.061 19.435 -22.217 1.00 1.00 H new ATOM 0 HB3 GLN A 35 13.795 19.599 -22.415 1.00 1.00 H new ATOM 0 HG2 GLN A 35 13.984 17.565 -23.630 1.00 1.00 H new ATOM 0 HG3 GLN A 35 12.468 16.939 -23.014 1.00 1.00 H new ATOM 0 HE21 GLN A 35 11.557 16.510 -24.958 1.00 1.00 H new ATOM 0 HE22 GLN A 35 11.040 17.749 -26.106 1.00 1.00 H new ATOM 572 N THR A 36 15.032 19.365 -19.714 1.00 1.00 N ATOM 573 CA THR A 36 16.393 19.569 -19.246 1.00 1.00 C ATOM 574 C THR A 36 16.375 19.837 -17.740 1.00 1.00 C ATOM 575 O THR A 36 17.381 20.341 -17.219 1.00 1.00 O ATOM 576 CB THR A 36 17.024 20.702 -20.058 1.00 1.00 C ATOM 577 OG1 THR A 36 16.281 21.857 -19.678 1.00 1.00 O ATOM 578 CG2 THR A 36 16.760 20.565 -21.559 1.00 1.00 C ATOM 0 H THR A 36 14.380 20.098 -19.436 1.00 1.00 H new ATOM 0 HA THR A 36 17.007 18.681 -19.397 1.00 1.00 H new ATOM 0 HB THR A 36 18.099 20.721 -19.880 1.00 1.00 H new ATOM 0 HG1 THR A 36 16.855 22.649 -19.738 1.00 1.00 H new ATOM 0 HG21 THR A 36 17.229 21.394 -22.088 1.00 1.00 H new ATOM 0 HG22 THR A 36 17.177 19.624 -21.917 1.00 1.00 H new ATOM 0 HG23 THR A 36 15.686 20.579 -21.742 1.00 1.00 H new ATOM 586 N LYS A 37 15.252 19.500 -17.082 1.00 1.00 N ATOM 587 CA LYS A 37 15.108 19.704 -15.650 1.00 1.00 C ATOM 588 C LYS A 37 15.847 20.980 -15.244 1.00 1.00 C ATOM 589 O LYS A 37 16.636 20.926 -14.289 1.00 1.00 O ATOM 590 CB LYS A 37 15.562 18.459 -14.884 1.00 1.00 C ATOM 591 CG LYS A 37 14.465 17.393 -14.871 1.00 1.00 C ATOM 592 CD LYS A 37 14.974 16.076 -15.461 1.00 1.00 C ATOM 593 CE LYS A 37 15.698 16.313 -16.788 1.00 1.00 C ATOM 594 NZ LYS A 37 15.484 15.179 -17.702 1.00 1.00 N ATOM 0 H LYS A 37 14.435 19.085 -17.530 1.00 1.00 H new ATOM 0 HA LYS A 37 14.059 19.846 -15.388 1.00 1.00 H new ATOM 0 HB2 LYS A 37 16.463 18.053 -15.344 1.00 1.00 H new ATOM 0 HB3 LYS A 37 15.821 18.732 -13.861 1.00 1.00 H new ATOM 0 HG2 LYS A 37 14.123 17.230 -13.849 1.00 1.00 H new ATOM 0 HG3 LYS A 37 13.605 17.744 -15.442 1.00 1.00 H new ATOM 0 HD2 LYS A 37 15.650 15.594 -14.755 1.00 1.00 H new ATOM 0 HD3 LYS A 37 14.137 15.395 -15.616 1.00 1.00 H new ATOM 0 HE2 LYS A 37 15.335 17.232 -17.248 1.00 1.00 H new ATOM 0 HE3 LYS A 37 16.765 16.446 -16.608 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 15.982 15.356 -18.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 15.852 14.309 -17.267 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 14.467 15.070 -17.888 1.00 1.00 H new ATOM 608 N GLN A 38 15.583 22.084 -15.965 1.00 1.00 N ATOM 609 CA GLN A 38 16.219 23.360 -15.681 1.00 1.00 C ATOM 610 C GLN A 38 15.391 24.487 -16.301 1.00 1.00 C ATOM 611 O GLN A 38 14.338 24.192 -16.885 1.00 1.00 O ATOM 612 CB GLN A 38 17.661 23.394 -16.191 1.00 1.00 C ATOM 613 CG GLN A 38 18.625 22.823 -15.149 1.00 1.00 C ATOM 614 CD GLN A 38 19.356 21.594 -15.693 1.00 1.00 C ATOM 615 OE1 GLN A 38 20.290 21.690 -16.472 1.00 1.00 O ATOM 616 NE2 GLN A 38 18.881 20.438 -15.241 1.00 1.00 N ATOM 0 H GLN A 38 14.930 22.107 -16.748 1.00 1.00 H new ATOM 0 HA GLN A 38 16.261 23.497 -14.601 1.00 1.00 H new ATOM 0 HB2 GLN A 38 17.737 22.821 -17.115 1.00 1.00 H new ATOM 0 HB3 GLN A 38 17.942 24.420 -16.428 1.00 1.00 H new ATOM 0 HG2 GLN A 38 19.350 23.585 -14.863 1.00 1.00 H new ATOM 0 HG3 GLN A 38 18.074 22.554 -14.248 1.00 1.00 H new ATOM 0 HE21 GLN A 38 18.096 20.429 -14.590 1.00 1.00 H new ATOM 0 HE22 GLN A 38 19.302 19.560 -15.545 1.00 1.00 H new ATOM 625 N CYS A 39 15.875 25.735 -16.164 1.00 1.00 N ATOM 626 CA CYS A 39 15.184 26.892 -16.707 1.00 1.00 C ATOM 627 C CYS A 39 15.676 27.151 -18.133 1.00 1.00 C ATOM 628 O CYS A 39 16.891 27.315 -18.316 1.00 1.00 O ATOM 629 CB CYS A 39 15.368 28.116 -15.808 1.00 1.00 C ATOM 630 SG CYS A 39 14.440 28.061 -14.247 1.00 1.00 S ATOM 0 H CYS A 39 16.745 25.956 -15.679 1.00 1.00 H new ATOM 0 HA CYS A 39 14.113 26.690 -16.742 1.00 1.00 H new ATOM 0 HB2 CYS A 39 16.428 28.226 -15.580 1.00 1.00 H new ATOM 0 HB3 CYS A 39 15.067 29.005 -16.362 1.00 1.00 H new ATOM 636 N GLU A 40 14.738 27.183 -19.097 1.00 1.00 N ATOM 637 CA GLU A 40 15.075 27.420 -20.490 1.00 1.00 C ATOM 638 C GLU A 40 14.405 28.713 -20.959 1.00 1.00 C ATOM 639 O GLU A 40 13.220 28.910 -20.649 1.00 1.00 O ATOM 640 CB GLU A 40 14.669 26.240 -21.375 1.00 1.00 C ATOM 641 CG GLU A 40 14.962 24.908 -20.682 1.00 1.00 C ATOM 642 CD GLU A 40 15.270 23.813 -21.705 1.00 1.00 C ATOM 643 OE1 GLU A 40 16.497 23.766 -22.099 1.00 1.00 O ATOM 644 OE2 GLU A 40 14.369 23.056 -22.094 1.00 1.00 O ATOM 0 H GLU A 40 13.742 27.046 -18.924 1.00 1.00 H new ATOM 0 HA GLU A 40 16.157 27.523 -20.575 1.00 1.00 H new ATOM 0 HB2 GLU A 40 13.607 26.306 -21.610 1.00 1.00 H new ATOM 0 HB3 GLU A 40 15.208 26.288 -22.321 1.00 1.00 H new ATOM 0 HG2 GLU A 40 15.807 25.025 -20.004 1.00 1.00 H new ATOM 0 HG3 GLU A 40 14.105 24.613 -20.076 1.00 1.00 H new ATOM 651 N ARG A 41 15.162 29.556 -21.684 1.00 1.00 N ATOM 652 CA ARG A 41 14.645 30.816 -22.189 1.00 1.00 C ATOM 653 C ARG A 41 13.612 30.537 -23.282 1.00 1.00 C ATOM 654 O ARG A 41 13.814 29.591 -24.058 1.00 1.00 O ATOM 655 CB ARG A 41 15.759 31.694 -22.762 1.00 1.00 C ATOM 656 CG ARG A 41 15.921 32.978 -21.945 1.00 1.00 C ATOM 657 CD ARG A 41 17.391 33.393 -21.863 1.00 1.00 C ATOM 658 NE ARG A 41 18.219 32.244 -21.434 1.00 1.00 N ATOM 659 CZ ARG A 41 19.564 32.198 -21.540 1.00 1.00 C ATOM 660 NH1 ARG A 41 20.210 33.249 -22.064 1.00 1.00 N ATOM 661 NH2 ARG A 41 20.243 31.119 -21.128 1.00 1.00 N ATOM 0 H ARG A 41 16.136 29.376 -21.928 1.00 1.00 H new ATOM 0 HA ARG A 41 14.186 31.350 -21.357 1.00 1.00 H new ATOM 0 HB2 ARG A 41 16.698 31.140 -22.766 1.00 1.00 H new ATOM 0 HB3 ARG A 41 15.533 31.944 -23.798 1.00 1.00 H new ATOM 0 HG2 ARG A 41 15.338 33.779 -22.400 1.00 1.00 H new ATOM 0 HG3 ARG A 41 15.525 32.827 -20.941 1.00 1.00 H new ATOM 0 HD2 ARG A 41 17.730 33.754 -22.834 1.00 1.00 H new ATOM 0 HD3 ARG A 41 17.506 34.217 -21.159 1.00 1.00 H new ATOM 0 HE ARG A 41 17.743 31.436 -21.033 1.00 1.00 H new ATOM 0 HH11 ARG A 41 19.686 34.067 -22.375 1.00 1.00 H new ATOM 0 HH12 ARG A 41 21.226 33.231 -22.152 1.00 1.00 H new ATOM 0 HH21 ARG A 41 19.744 30.323 -20.730 1.00 1.00 H new ATOM 0 HH22 ARG A 41 21.259 31.093 -21.212 1.00 1.00 H new ATOM 675 N PHE A 42 12.542 31.352 -23.322 1.00 1.00 N ATOM 676 CA PHE A 42 11.490 31.193 -24.311 1.00 1.00 C ATOM 677 C PHE A 42 10.676 32.486 -24.395 1.00 1.00 C ATOM 678 O PHE A 42 10.712 33.269 -23.435 1.00 1.00 O ATOM 679 CB PHE A 42 10.592 30.006 -23.912 1.00 1.00 C ATOM 680 CG PHE A 42 9.435 30.368 -22.990 1.00 1.00 C ATOM 681 CD1 PHE A 42 9.684 30.716 -21.642 1.00 1.00 C ATOM 682 CD2 PHE A 42 8.106 30.364 -23.476 1.00 1.00 C ATOM 683 CE1 PHE A 42 8.614 31.055 -20.787 1.00 1.00 C ATOM 684 CE2 PHE A 42 7.037 30.704 -22.620 1.00 1.00 C ATOM 685 CZ PHE A 42 7.291 31.049 -21.276 1.00 1.00 C ATOM 0 H PHE A 42 12.394 32.126 -22.674 1.00 1.00 H new ATOM 0 HA PHE A 42 11.922 30.989 -25.291 1.00 1.00 H new ATOM 0 HB2 PHE A 42 10.189 29.552 -24.817 1.00 1.00 H new ATOM 0 HB3 PHE A 42 11.207 29.251 -23.422 1.00 1.00 H new ATOM 0 HD1 PHE A 42 10.696 30.722 -21.266 1.00 1.00 H new ATOM 0 HD2 PHE A 42 7.909 30.100 -24.505 1.00 1.00 H new ATOM 0 HE1 PHE A 42 8.808 31.319 -19.758 1.00 1.00 H new ATOM 0 HE2 PHE A 42 6.024 30.700 -22.994 1.00 1.00 H new ATOM 0 HZ PHE A 42 6.472 31.309 -20.621 1.00 1.00 H new ATOM 695 N LYS A 43 9.969 32.680 -25.523 1.00 1.00 N ATOM 696 CA LYS A 43 9.156 33.867 -25.727 1.00 1.00 C ATOM 697 C LYS A 43 7.906 33.780 -24.849 1.00 1.00 C ATOM 698 O LYS A 43 7.827 32.857 -24.025 1.00 1.00 O ATOM 699 CB LYS A 43 8.850 34.057 -27.214 1.00 1.00 C ATOM 700 CG LYS A 43 9.662 35.215 -27.797 1.00 1.00 C ATOM 701 CD LYS A 43 11.073 34.761 -28.175 1.00 1.00 C ATOM 702 CE LYS A 43 11.064 33.981 -29.491 1.00 1.00 C ATOM 703 NZ LYS A 43 12.432 33.587 -29.866 1.00 1.00 N ATOM 0 H LYS A 43 9.952 32.022 -26.302 1.00 1.00 H new ATOM 0 HA LYS A 43 9.701 34.760 -25.420 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.078 33.139 -27.756 1.00 1.00 H new ATOM 0 HB3 LYS A 43 7.786 34.251 -27.348 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.156 35.612 -28.677 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.720 36.025 -27.070 1.00 1.00 H new ATOM 0 HD2 LYS A 43 11.726 35.629 -28.267 1.00 1.00 H new ATOM 0 HD3 LYS A 43 11.483 34.137 -27.381 1.00 1.00 H new ATOM 0 HE2 LYS A 43 10.438 33.094 -29.391 1.00 1.00 H new ATOM 0 HE3 LYS A 43 10.626 34.592 -30.280 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 12.408 33.059 -30.761 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 13.019 34.438 -29.982 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 12.837 32.986 -29.120 1.00 1.00 H new ATOM 717 N TYR A 44 6.970 34.727 -25.039 1.00 1.00 N ATOM 718 CA TYR A 44 5.761 34.703 -24.233 1.00 1.00 C ATOM 719 C TYR A 44 4.693 35.574 -24.898 1.00 1.00 C ATOM 720 O TYR A 44 4.096 36.403 -24.195 1.00 1.00 O ATOM 721 CB TYR A 44 6.078 35.177 -22.803 1.00 1.00 C ATOM 722 CG TYR A 44 4.852 35.450 -21.941 1.00 1.00 C ATOM 723 CD1 TYR A 44 3.622 34.823 -22.244 1.00 1.00 C ATOM 724 CD2 TYR A 44 4.937 36.324 -20.833 1.00 1.00 C ATOM 725 CE1 TYR A 44 2.484 35.070 -21.448 1.00 1.00 C ATOM 726 CE2 TYR A 44 3.799 36.570 -20.036 1.00 1.00 C ATOM 727 CZ TYR A 44 2.571 35.944 -20.343 1.00 1.00 C ATOM 728 OH TYR A 44 1.467 36.182 -19.574 1.00 1.00 O ATOM 0 H TYR A 44 7.031 35.486 -25.718 1.00 1.00 H new ATOM 0 HA TYR A 44 5.374 33.686 -24.164 1.00 1.00 H new ATOM 0 HB2 TYR A 44 6.691 34.422 -22.311 1.00 1.00 H new ATOM 0 HB3 TYR A 44 6.676 36.086 -22.860 1.00 1.00 H new ATOM 0 HD1 TYR A 44 3.553 34.153 -23.088 1.00 1.00 H new ATOM 0 HD2 TYR A 44 5.875 36.804 -20.596 1.00 1.00 H new ATOM 0 HE1 TYR A 44 1.546 34.590 -21.684 1.00 1.00 H new ATOM 0 HE2 TYR A 44 3.867 37.238 -19.190 1.00 1.00 H new ATOM 0 HH TYR A 44 1.698 36.805 -18.854 1.00 1.00 H new ATOM 789 N ASN A 50 0.631 29.950 -19.506 1.00 1.00 N ATOM 790 CA ASN A 50 0.709 28.999 -18.410 1.00 1.00 C ATOM 791 C ASN A 50 1.299 29.692 -17.181 1.00 1.00 C ATOM 792 O ASN A 50 1.383 30.929 -17.184 1.00 1.00 O ATOM 793 CB ASN A 50 1.614 27.819 -18.768 1.00 1.00 C ATOM 794 CG ASN A 50 3.078 28.256 -18.849 1.00 1.00 C ATOM 795 OD1 ASN A 50 3.425 29.400 -18.608 1.00 1.00 O ATOM 796 ND2 ASN A 50 3.914 27.283 -19.201 1.00 1.00 N ATOM 0 HA ASN A 50 -0.298 28.633 -18.209 1.00 1.00 H new ATOM 0 HB2 ASN A 50 1.506 27.033 -18.020 1.00 1.00 H new ATOM 0 HB3 ASN A 50 1.304 27.395 -19.723 1.00 1.00 H new ATOM 0 HD21 ASN A 50 4.913 27.474 -19.283 1.00 1.00 H new ATOM 0 HD22 ASN A 50 3.556 26.346 -19.389 1.00 1.00 H new ATOM 803 N MET A 51 1.690 28.896 -16.170 1.00 1.00 N ATOM 804 CA MET A 51 2.266 29.429 -14.948 1.00 1.00 C ATOM 805 C MET A 51 3.789 29.481 -15.087 1.00 1.00 C ATOM 806 O MET A 51 4.406 30.372 -14.486 1.00 1.00 O ATOM 807 CB MET A 51 1.892 28.548 -13.754 1.00 1.00 C ATOM 808 CG MET A 51 1.001 29.307 -12.770 1.00 1.00 C ATOM 809 SD MET A 51 1.870 29.531 -11.190 1.00 1.00 S ATOM 810 CE MET A 51 2.385 31.265 -11.355 1.00 1.00 C ATOM 0 H MET A 51 1.612 27.879 -16.187 1.00 1.00 H new ATOM 0 HA MET A 51 1.875 30.432 -14.780 1.00 1.00 H new ATOM 0 HB2 MET A 51 1.374 27.655 -14.105 1.00 1.00 H new ATOM 0 HB3 MET A 51 2.797 28.213 -13.247 1.00 1.00 H new ATOM 0 HG2 MET A 51 0.730 30.277 -13.186 1.00 1.00 H new ATOM 0 HG3 MET A 51 0.073 28.758 -12.609 1.00 1.00 H new ATOM 0 HE1 MET A 51 2.936 31.567 -10.464 1.00 1.00 H new ATOM 0 HE2 MET A 51 3.025 31.373 -12.231 1.00 1.00 H new ATOM 0 HE3 MET A 51 1.504 31.897 -11.469 1.00 1.00 H new ATOM 820 N ASN A 52 4.355 28.540 -15.863 1.00 1.00 N ATOM 821 CA ASN A 52 5.791 28.479 -16.077 1.00 1.00 C ATOM 822 C ASN A 52 6.199 29.560 -17.080 1.00 1.00 C ATOM 823 O ASN A 52 6.550 29.209 -18.215 1.00 1.00 O ATOM 824 CB ASN A 52 6.206 27.122 -16.650 1.00 1.00 C ATOM 825 CG ASN A 52 7.668 26.813 -16.323 1.00 1.00 C ATOM 826 OD1 ASN A 52 8.395 27.627 -15.779 1.00 1.00 O ATOM 827 ND2 ASN A 52 8.057 25.594 -16.685 1.00 1.00 N ATOM 0 H ASN A 52 3.828 27.814 -16.349 1.00 1.00 H new ATOM 0 HA ASN A 52 6.282 28.630 -15.115 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.565 26.340 -16.243 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.063 27.120 -17.731 1.00 1.00 H new ATOM 0 HD21 ASN A 52 9.015 25.292 -16.511 1.00 1.00 H new ATOM 0 HD22 ASN A 52 7.397 24.961 -17.137 1.00 1.00 H new ATOM 834 N ASN A 53 6.146 30.833 -16.647 1.00 1.00 N ATOM 835 CA ASN A 53 6.508 31.952 -17.501 1.00 1.00 C ATOM 836 C ASN A 53 7.201 33.026 -16.660 1.00 1.00 C ATOM 837 O ASN A 53 6.538 34.008 -16.296 1.00 1.00 O ATOM 838 CB ASN A 53 5.268 32.579 -18.142 1.00 1.00 C ATOM 839 CG ASN A 53 5.567 33.992 -18.646 1.00 1.00 C ATOM 840 OD1 ASN A 53 6.290 34.196 -19.607 1.00 1.00 O ATOM 841 ND2 ASN A 53 4.973 34.954 -17.945 1.00 1.00 N ATOM 0 H ASN A 53 5.854 31.101 -15.707 1.00 1.00 H new ATOM 0 HA ASN A 53 7.169 31.580 -18.284 1.00 1.00 H new ATOM 0 HB2 ASN A 53 4.929 31.958 -18.971 1.00 1.00 H new ATOM 0 HB3 ASN A 53 4.456 32.612 -17.416 1.00 1.00 H new ATOM 0 HD21 ASN A 53 5.111 35.931 -18.202 1.00 1.00 H new ATOM 0 HD22 ASN A 53 4.380 34.714 -17.151 1.00 1.00 H new ATOM 848 N PHE A 54 8.499 32.822 -16.374 1.00 1.00 N ATOM 849 CA PHE A 54 9.271 33.767 -15.584 1.00 1.00 C ATOM 850 C PHE A 54 9.896 34.810 -16.513 1.00 1.00 C ATOM 851 O PHE A 54 9.749 34.674 -17.736 1.00 1.00 O ATOM 852 CB PHE A 54 10.361 33.005 -14.805 1.00 1.00 C ATOM 853 CG PHE A 54 9.837 31.900 -13.897 1.00 1.00 C ATOM 854 CD1 PHE A 54 9.479 32.190 -12.561 1.00 1.00 C ATOM 855 CD2 PHE A 54 9.699 30.580 -14.386 1.00 1.00 C ATOM 856 CE1 PHE A 54 8.990 31.169 -11.719 1.00 1.00 C ATOM 857 CE2 PHE A 54 9.210 29.559 -13.543 1.00 1.00 C ATOM 858 CZ PHE A 54 8.856 29.853 -12.210 1.00 1.00 C ATOM 0 H PHE A 54 9.026 32.006 -16.684 1.00 1.00 H new ATOM 0 HA PHE A 54 8.625 34.279 -14.871 1.00 1.00 H new ATOM 0 HB2 PHE A 54 11.061 32.570 -15.518 1.00 1.00 H new ATOM 0 HB3 PHE A 54 10.923 33.718 -14.201 1.00 1.00 H new ATOM 0 HD1 PHE A 54 9.580 33.197 -12.183 1.00 1.00 H new ATOM 0 HD2 PHE A 54 9.968 30.353 -15.407 1.00 1.00 H new ATOM 0 HE1 PHE A 54 8.718 31.395 -10.698 1.00 1.00 H new ATOM 0 HE2 PHE A 54 9.107 28.552 -13.919 1.00 1.00 H new ATOM 0 HZ PHE A 54 8.482 29.071 -11.565 1.00 1.00 H new ATOM 868 N GLU A 55 10.569 35.814 -15.923 1.00 1.00 N ATOM 869 CA GLU A 55 11.209 36.868 -16.692 1.00 1.00 C ATOM 870 C GLU A 55 12.728 36.716 -16.591 1.00 1.00 C ATOM 871 O GLU A 55 13.433 37.244 -17.464 1.00 1.00 O ATOM 872 CB GLU A 55 10.764 38.255 -16.223 1.00 1.00 C ATOM 873 CG GLU A 55 9.307 38.235 -15.757 1.00 1.00 C ATOM 874 CD GLU A 55 8.880 39.607 -15.233 1.00 1.00 C ATOM 875 OE1 GLU A 55 9.186 40.633 -15.859 1.00 1.00 O ATOM 876 OE2 GLU A 55 8.207 39.585 -14.133 1.00 1.00 O ATOM 0 H GLU A 55 10.677 35.907 -14.913 1.00 1.00 H new ATOM 0 HA GLU A 55 10.906 36.773 -17.735 1.00 1.00 H new ATOM 0 HB2 GLU A 55 11.406 38.590 -15.408 1.00 1.00 H new ATOM 0 HB3 GLU A 55 10.880 38.972 -17.036 1.00 1.00 H new ATOM 0 HG2 GLU A 55 8.661 37.941 -16.584 1.00 1.00 H new ATOM 0 HG3 GLU A 55 9.182 37.488 -14.973 1.00 1.00 H new ATOM 883 N THR A 56 13.195 36.010 -15.547 1.00 1.00 N ATOM 884 CA THR A 56 14.617 35.793 -15.337 1.00 1.00 C ATOM 885 C THR A 56 14.868 34.306 -15.077 1.00 1.00 C ATOM 886 O THR A 56 13.922 33.608 -14.685 1.00 1.00 O ATOM 887 CB THR A 56 15.087 36.698 -14.197 1.00 1.00 C ATOM 888 OG1 THR A 56 13.940 36.825 -13.360 1.00 1.00 O ATOM 889 CG2 THR A 56 15.369 38.128 -14.662 1.00 1.00 C ATOM 0 H THR A 56 12.598 35.583 -14.839 1.00 1.00 H new ATOM 0 HA THR A 56 15.198 36.058 -16.220 1.00 1.00 H new ATOM 0 HB THR A 56 15.987 36.279 -13.748 1.00 1.00 H new ATOM 0 HG1 THR A 56 14.103 37.517 -12.685 1.00 1.00 H new ATOM 0 HG21 THR A 56 15.699 38.728 -13.814 1.00 1.00 H new ATOM 0 HG22 THR A 56 16.149 38.116 -15.424 1.00 1.00 H new ATOM 0 HG23 THR A 56 14.460 38.560 -15.080 1.00 1.00 H new ATOM 897 N LEU A 57 16.118 33.860 -15.295 1.00 1.00 N ATOM 898 CA LEU A 57 16.487 32.470 -15.085 1.00 1.00 C ATOM 899 C LEU A 57 16.552 32.186 -13.583 1.00 1.00 C ATOM 900 O LEU A 57 15.928 31.210 -13.140 1.00 1.00 O ATOM 901 CB LEU A 57 17.782 32.141 -15.830 1.00 1.00 C ATOM 902 CG LEU A 57 18.132 30.656 -15.945 1.00 1.00 C ATOM 903 CD1 LEU A 57 17.509 30.042 -17.201 1.00 1.00 C ATOM 904 CD2 LEU A 57 19.646 30.443 -15.893 1.00 1.00 C ATOM 0 H LEU A 57 16.883 34.452 -15.617 1.00 1.00 H new ATOM 0 HA LEU A 57 15.729 31.807 -15.503 1.00 1.00 H new ATOM 0 HB2 LEU A 57 17.715 32.557 -16.835 1.00 1.00 H new ATOM 0 HB3 LEU A 57 18.605 32.650 -15.329 1.00 1.00 H new ATOM 0 HG LEU A 57 17.705 30.137 -15.087 1.00 1.00 H new ATOM 0 HD11 LEU A 57 17.773 28.986 -17.259 1.00 1.00 H new ATOM 0 HD12 LEU A 57 16.425 30.143 -17.156 1.00 1.00 H new ATOM 0 HD13 LEU A 57 17.885 30.559 -18.084 1.00 1.00 H new ATOM 0 HD21 LEU A 57 19.867 29.379 -15.977 1.00 1.00 H new ATOM 0 HD22 LEU A 57 20.117 30.977 -16.718 1.00 1.00 H new ATOM 0 HD23 LEU A 57 20.034 30.821 -14.947 1.00 1.00 H new ATOM 916 N GLU A 58 17.294 33.028 -12.842 1.00 1.00 N ATOM 917 CA GLU A 58 17.437 32.868 -11.405 1.00 1.00 C ATOM 918 C GLU A 58 16.051 32.859 -10.757 1.00 1.00 C ATOM 919 O GLU A 58 15.854 32.100 -9.797 1.00 1.00 O ATOM 920 CB GLU A 58 18.317 33.965 -10.803 1.00 1.00 C ATOM 921 CG GLU A 58 19.170 33.416 -9.658 1.00 1.00 C ATOM 922 CD GLU A 58 20.046 34.514 -9.051 1.00 1.00 C ATOM 923 OE1 GLU A 58 20.924 35.016 -9.852 1.00 1.00 O ATOM 924 OE2 GLU A 58 19.882 34.856 -7.871 1.00 1.00 O ATOM 0 H GLU A 58 17.801 33.825 -13.227 1.00 1.00 H new ATOM 0 HA GLU A 58 17.933 31.918 -11.206 1.00 1.00 H new ATOM 0 HB2 GLU A 58 18.963 34.382 -11.575 1.00 1.00 H new ATOM 0 HB3 GLU A 58 17.691 34.779 -10.437 1.00 1.00 H new ATOM 0 HG2 GLU A 58 18.524 32.994 -8.888 1.00 1.00 H new ATOM 0 HG3 GLU A 58 19.799 32.605 -10.025 1.00 1.00 H new ATOM 931 N GLU A 59 15.133 33.689 -11.286 1.00 1.00 N ATOM 932 CA GLU A 59 13.781 33.775 -10.762 1.00 1.00 C ATOM 933 C GLU A 59 13.051 32.456 -11.027 1.00 1.00 C ATOM 934 O GLU A 59 12.446 31.918 -10.088 1.00 1.00 O ATOM 935 CB GLU A 59 13.018 34.955 -11.367 1.00 1.00 C ATOM 936 CG GLU A 59 11.812 35.330 -10.503 1.00 1.00 C ATOM 937 CD GLU A 59 10.751 36.059 -11.329 1.00 1.00 C ATOM 938 OE1 GLU A 59 11.095 36.839 -12.230 1.00 1.00 O ATOM 939 OE2 GLU A 59 9.531 35.791 -11.008 1.00 1.00 O ATOM 0 H GLU A 59 15.316 34.306 -12.077 1.00 1.00 H new ATOM 0 HA GLU A 59 13.833 33.948 -9.687 1.00 1.00 H new ATOM 0 HB2 GLU A 59 13.683 35.813 -11.461 1.00 1.00 H new ATOM 0 HB3 GLU A 59 12.684 34.699 -12.373 1.00 1.00 H new ATOM 0 HG2 GLU A 59 11.381 34.430 -10.064 1.00 1.00 H new ATOM 0 HG3 GLU A 59 12.135 35.965 -9.678 1.00 1.00 H new ATOM 946 N CYS A 60 13.121 31.970 -12.279 1.00 1.00 N ATOM 947 CA CYS A 60 12.471 30.728 -12.660 1.00 1.00 C ATOM 948 C CYS A 60 13.042 29.582 -11.822 1.00 1.00 C ATOM 949 O CYS A 60 12.297 28.633 -11.536 1.00 1.00 O ATOM 950 CB CYS A 60 12.618 30.466 -14.160 1.00 1.00 C ATOM 951 SG CYS A 60 12.261 28.760 -14.675 1.00 1.00 S ATOM 0 H CYS A 60 13.625 32.429 -13.038 1.00 1.00 H new ATOM 0 HA CYS A 60 11.402 30.804 -12.461 1.00 1.00 H new ATOM 0 HB2 CYS A 60 11.952 31.140 -14.699 1.00 1.00 H new ATOM 0 HB3 CYS A 60 13.636 30.716 -14.460 1.00 1.00 H new ATOM 957 N LYS A 61 14.331 29.689 -11.453 1.00 1.00 N ATOM 958 CA LYS A 61 14.992 28.669 -10.657 1.00 1.00 C ATOM 959 C LYS A 61 14.628 28.864 -9.183 1.00 1.00 C ATOM 960 O LYS A 61 14.411 27.858 -8.492 1.00 1.00 O ATOM 961 CB LYS A 61 16.498 28.674 -10.925 1.00 1.00 C ATOM 962 CG LYS A 61 16.814 28.065 -12.292 1.00 1.00 C ATOM 963 CD LYS A 61 18.227 27.480 -12.319 1.00 1.00 C ATOM 964 CE LYS A 61 18.436 26.608 -13.559 1.00 1.00 C ATOM 965 NZ LYS A 61 17.629 25.380 -13.467 1.00 1.00 N ATOM 0 H LYS A 61 14.927 30.479 -11.700 1.00 1.00 H new ATOM 0 HA LYS A 61 14.644 27.676 -10.943 1.00 1.00 H new ATOM 0 HB2 LYS A 61 16.875 29.696 -10.882 1.00 1.00 H new ATOM 0 HB3 LYS A 61 17.012 28.112 -10.145 1.00 1.00 H new ATOM 0 HG2 LYS A 61 16.089 27.284 -12.522 1.00 1.00 H new ATOM 0 HG3 LYS A 61 16.718 28.828 -13.065 1.00 1.00 H new ATOM 0 HD2 LYS A 61 18.959 28.288 -12.310 1.00 1.00 H new ATOM 0 HD3 LYS A 61 18.396 26.887 -11.420 1.00 1.00 H new ATOM 0 HE2 LYS A 61 18.160 27.166 -14.454 1.00 1.00 H new ATOM 0 HE3 LYS A 61 19.491 26.351 -13.657 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 17.634 24.892 -14.385 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 18.031 24.754 -12.740 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 16.651 25.625 -13.211 1.00 1.00 H new ATOM 979 N ASN A 62 14.571 30.132 -8.739 1.00 1.00 N ATOM 980 CA ASN A 62 14.237 30.451 -7.362 1.00 1.00 C ATOM 981 C ASN A 62 12.903 29.797 -7.000 1.00 1.00 C ATOM 982 O ASN A 62 12.818 29.186 -5.925 1.00 1.00 O ATOM 983 CB ASN A 62 14.092 31.962 -7.166 1.00 1.00 C ATOM 984 CG ASN A 62 14.874 32.434 -5.939 1.00 1.00 C ATOM 985 OD1 ASN A 62 16.082 32.288 -5.847 1.00 1.00 O ATOM 986 ND2 ASN A 62 14.120 33.006 -5.005 1.00 1.00 N ATOM 0 H ASN A 62 14.754 30.947 -9.325 1.00 1.00 H new ATOM 0 HA ASN A 62 15.041 30.080 -6.726 1.00 1.00 H new ATOM 0 HB2 ASN A 62 14.451 32.483 -8.053 1.00 1.00 H new ATOM 0 HB3 ASN A 62 13.039 32.218 -7.051 1.00 1.00 H new ATOM 0 HD21 ASN A 62 14.548 33.355 -4.147 1.00 1.00 H new ATOM 0 HD22 ASN A 62 13.114 33.096 -5.146 1.00 1.00 H new ATOM 993 N ILE A 63 11.903 29.936 -7.889 1.00 1.00 N ATOM 994 CA ILE A 63 10.587 29.362 -7.664 1.00 1.00 C ATOM 995 C ILE A 63 10.636 27.859 -7.945 1.00 1.00 C ATOM 996 O ILE A 63 10.164 27.085 -7.100 1.00 1.00 O ATOM 997 CB ILE A 63 9.531 30.107 -8.483 1.00 1.00 C ATOM 998 CG1 ILE A 63 8.846 31.186 -7.643 1.00 1.00 C ATOM 999 CG2 ILE A 63 8.524 29.131 -9.096 1.00 1.00 C ATOM 1000 CD1 ILE A 63 8.183 32.237 -8.535 1.00 1.00 C ATOM 0 H ILE A 63 11.993 30.444 -8.769 1.00 1.00 H new ATOM 0 HA ILE A 63 10.292 29.482 -6.622 1.00 1.00 H new ATOM 0 HB ILE A 63 10.032 30.613 -9.308 1.00 1.00 H new ATOM 0 HG12 ILE A 63 8.097 30.728 -6.997 1.00 1.00 H new ATOM 0 HG13 ILE A 63 9.578 31.665 -6.993 1.00 1.00 H new ATOM 0 HG21 ILE A 63 7.784 29.686 -9.673 1.00 1.00 H new ATOM 0 HG22 ILE A 63 9.046 28.433 -9.751 1.00 1.00 H new ATOM 0 HG23 ILE A 63 8.024 28.578 -8.301 1.00 1.00 H new ATOM 0 HD11 ILE A 63 7.703 32.992 -7.912 1.00 1.00 H new ATOM 0 HD12 ILE A 63 8.938 32.710 -9.163 1.00 1.00 H new ATOM 0 HD13 ILE A 63 7.434 31.758 -9.166 1.00 1.00 H new ATOM 1012 N CYS A 64 11.198 27.482 -9.108 1.00 1.00 N ATOM 1013 CA CYS A 64 11.306 26.085 -9.493 1.00 1.00 C ATOM 1014 C CYS A 64 12.497 25.452 -8.771 1.00 1.00 C ATOM 1015 O CYS A 64 12.298 24.895 -7.682 1.00 1.00 O ATOM 1016 CB CYS A 64 11.415 25.938 -11.012 1.00 1.00 C ATOM 1017 SG CYS A 64 10.185 26.882 -11.960 1.00 1.00 S ATOM 0 H CYS A 64 11.582 28.136 -9.791 1.00 1.00 H new ATOM 0 HA CYS A 64 10.400 25.558 -9.194 1.00 1.00 H new ATOM 0 HB2 CYS A 64 12.411 26.252 -11.323 1.00 1.00 H new ATOM 0 HB3 CYS A 64 11.319 24.883 -11.269 1.00 1.00 H new ATOM 0 HG CYS A 64 9.032 26.813 -11.364 1.00 1.00 H new ATOM 1023 N GLU A 65 13.691 25.548 -9.382 1.00 1.00 N ATOM 1024 CA GLU A 65 14.900 24.989 -8.801 1.00 1.00 C ATOM 1025 C GLU A 65 14.803 25.050 -7.275 1.00 1.00 C ATOM 1026 O GLU A 65 15.262 24.105 -6.616 1.00 1.00 O ATOM 1027 CB GLU A 65 16.151 25.714 -9.300 1.00 1.00 C ATOM 1028 CG GLU A 65 16.761 24.991 -10.503 1.00 1.00 C ATOM 1029 CD GLU A 65 18.262 24.769 -10.307 1.00 1.00 C ATOM 1030 OE1 GLU A 65 18.728 24.658 -9.163 1.00 1.00 O ATOM 1031 OE2 GLU A 65 18.951 24.712 -11.395 1.00 1.00 O ATOM 0 H GLU A 65 13.833 26.011 -10.280 1.00 1.00 H new ATOM 0 HA GLU A 65 14.990 23.949 -9.115 1.00 1.00 H new ATOM 0 HB2 GLU A 65 15.897 26.737 -9.577 1.00 1.00 H new ATOM 0 HB3 GLU A 65 16.885 25.774 -8.497 1.00 1.00 H new ATOM 0 HG2 GLU A 65 16.264 24.032 -10.646 1.00 1.00 H new ATOM 0 HG3 GLU A 65 16.591 25.576 -11.407 1.00 1.00 H new ATOM 1038 N ASP A 66 14.218 26.142 -6.752 1.00 1.00 N ATOM 1039 CA ASP A 66 14.064 26.322 -5.319 1.00 1.00 C ATOM 1040 C ASP A 66 15.442 26.295 -4.655 1.00 1.00 C ATOM 1041 O ASP A 66 16.434 26.073 -5.364 1.00 1.00 O ATOM 1042 CB ASP A 66 13.224 25.198 -4.710 1.00 1.00 C ATOM 1043 CG ASP A 66 14.002 23.929 -4.354 1.00 1.00 C ATOM 1044 OD1 ASP A 66 14.853 24.062 -3.394 1.00 1.00 O ATOM 1045 OD2 ASP A 66 13.804 22.867 -4.963 1.00 1.00 O ATOM 0 H ASP A 66 13.847 26.909 -7.312 1.00 1.00 H new ATOM 0 HA ASP A 66 13.566 27.277 -5.151 1.00 1.00 H new ATOM 0 HB2 ASP A 66 12.740 25.574 -3.809 1.00 1.00 H new ATOM 0 HB3 ASP A 66 12.432 24.936 -5.411 1.00 1.00 H new