USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 398 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 31 THR OG1 : rot -74:sc= -0.741 USER MOD Set 1.2: A 32 ASN : amide:sc= -1.14! C(o=-1.9!,f=-2.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -46:sc= -1.61 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -34:sc= 0.0328 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -136:sc= -0.29 (180deg=-2.33) USER MOD Single : A 49 ASN : amide:sc= 0.293 X(o=0.29,f=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.582 F(o=-1.6!,f=-0.58) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc=-0.00411 X(o=-0.0041,f=-0.0016) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0021 USER MOD Single : A 61 THR OG1 : rot 76:sc= 0.918 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 14 -5.114 -2.658 7.663 1.00 0.00 N ATOM 165 CA PRO A 14 -5.243 -1.212 7.457 1.00 0.00 C ATOM 166 C PRO A 14 -6.696 -0.774 7.318 1.00 0.00 C ATOM 167 O PRO A 14 -7.602 -1.605 7.249 1.00 0.00 O ATOM 168 CB PRO A 14 -4.483 -0.971 6.150 1.00 0.00 C ATOM 169 CG PRO A 14 -4.544 -2.274 5.430 1.00 0.00 C ATOM 170 CD PRO A 14 -4.527 -3.336 6.495 1.00 0.00 C ATOM 0 HA PRO A 14 -4.855 -0.643 8.302 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.943 -0.174 5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.452 -0.672 6.341 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.447 -2.343 4.824 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.697 -2.386 4.753 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.111 -4.209 6.202 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.514 -3.684 6.699 1.00 0.00 H new ATOM 178 N SER A 15 -6.913 0.537 7.275 1.00 0.00 N ATOM 179 CA SER A 15 -8.258 1.086 7.147 1.00 0.00 C ATOM 180 C SER A 15 -8.386 1.918 5.874 1.00 0.00 C ATOM 181 O SER A 15 -7.388 2.348 5.298 1.00 0.00 O ATOM 182 CB SER A 15 -8.600 1.943 8.367 1.00 0.00 C ATOM 183 OG SER A 15 -9.977 2.280 8.383 1.00 0.00 O ATOM 0 H SER A 15 -6.174 1.239 7.327 1.00 0.00 H new ATOM 0 HA SER A 15 -8.960 0.254 7.089 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.344 1.403 9.278 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.000 2.853 8.356 1.00 0.00 H new ATOM 0 HG SER A 15 -10.171 2.826 9.173 1.00 0.00 H new ATOM 189 N GLY A 16 -9.623 2.140 5.442 1.00 0.00 N ATOM 190 CA GLY A 16 -9.861 2.919 4.241 1.00 0.00 C ATOM 191 C GLY A 16 -8.962 4.137 4.152 1.00 0.00 C ATOM 192 O GLY A 16 -8.514 4.509 3.068 1.00 0.00 O ATOM 0 H GLY A 16 -10.465 1.794 5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.702 2.289 3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.903 3.238 4.219 1.00 0.00 H new ATOM 196 N PHE A 17 -8.700 4.760 5.296 1.00 0.00 N ATOM 197 CA PHE A 17 -7.851 5.945 5.344 1.00 0.00 C ATOM 198 C PHE A 17 -6.408 5.595 4.993 1.00 0.00 C ATOM 199 O PHE A 17 -5.710 6.370 4.339 1.00 0.00 O ATOM 200 CB PHE A 17 -7.910 6.586 6.732 1.00 0.00 C ATOM 201 CG PHE A 17 -6.746 7.489 7.025 1.00 0.00 C ATOM 202 CD1 PHE A 17 -6.231 8.318 6.042 1.00 0.00 C ATOM 203 CD2 PHE A 17 -6.167 7.507 8.284 1.00 0.00 C ATOM 204 CE1 PHE A 17 -5.160 9.151 6.309 1.00 0.00 C ATOM 205 CE2 PHE A 17 -5.097 8.338 8.557 1.00 0.00 C ATOM 206 CZ PHE A 17 -4.592 9.160 7.568 1.00 0.00 C ATOM 0 H PHE A 17 -9.063 4.464 6.202 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.223 6.657 4.607 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.834 7.157 6.821 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.948 5.799 7.485 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.671 8.314 5.056 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.556 6.865 9.060 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.768 9.794 5.534 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.656 8.345 9.543 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.755 9.808 7.779 1.00 0.00 H new ATOM 216 N PHE A 18 -5.966 4.422 5.435 1.00 0.00 N ATOM 217 CA PHE A 18 -4.606 3.968 5.170 1.00 0.00 C ATOM 218 C PHE A 18 -4.451 3.531 3.716 1.00 0.00 C ATOM 219 O PHE A 18 -3.545 3.981 3.014 1.00 0.00 O ATOM 220 CB PHE A 18 -4.240 2.812 6.103 1.00 0.00 C ATOM 221 CG PHE A 18 -2.913 2.183 5.787 1.00 0.00 C ATOM 222 CD1 PHE A 18 -2.818 1.174 4.843 1.00 0.00 C ATOM 223 CD2 PHE A 18 -1.762 2.602 6.435 1.00 0.00 C ATOM 224 CE1 PHE A 18 -1.598 0.593 4.550 1.00 0.00 C ATOM 225 CE2 PHE A 18 -0.540 2.025 6.145 1.00 0.00 C ATOM 226 CZ PHE A 18 -0.458 1.019 5.203 1.00 0.00 C ATOM 0 H PHE A 18 -6.530 3.769 5.978 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.930 4.803 5.354 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.225 3.176 7.130 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.017 2.050 6.046 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.707 0.837 4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.820 3.387 7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.537 -0.193 3.812 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.351 2.361 6.655 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.496 0.566 4.977 1.00 0.00 H new ATOM 236 N LEU A 19 -5.342 2.652 3.271 1.00 0.00 N ATOM 237 CA LEU A 19 -5.306 2.152 1.901 1.00 0.00 C ATOM 238 C LEU A 19 -5.045 3.286 0.915 1.00 0.00 C ATOM 239 O LEU A 19 -4.334 3.111 -0.075 1.00 0.00 O ATOM 240 CB LEU A 19 -6.623 1.455 1.557 1.00 0.00 C ATOM 241 CG LEU A 19 -6.688 -0.043 1.858 1.00 0.00 C ATOM 242 CD1 LEU A 19 -6.462 -0.300 3.340 1.00 0.00 C ATOM 243 CD2 LEU A 19 -8.024 -0.619 1.412 1.00 0.00 C ATOM 0 H LEU A 19 -6.098 2.271 3.839 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.491 1.433 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.426 1.950 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.822 1.601 0.495 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.896 -0.541 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.512 -1.371 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.481 0.076 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.231 0.211 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.053 -1.686 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.832 -0.116 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.145 -0.468 0.339 1.00 0.00 H new ATOM 255 N PHE A 20 -5.623 4.450 1.193 1.00 0.00 N ATOM 256 CA PHE A 20 -5.452 5.614 0.331 1.00 0.00 C ATOM 257 C PHE A 20 -4.121 6.306 0.610 1.00 0.00 C ATOM 258 O PHE A 20 -3.497 6.862 -0.295 1.00 0.00 O ATOM 259 CB PHE A 20 -6.605 6.599 0.535 1.00 0.00 C ATOM 260 CG PHE A 20 -6.314 7.978 0.015 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.634 8.898 0.797 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.720 8.354 -1.255 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.364 10.168 0.321 1.00 0.00 C ATOM 264 CE2 PHE A 20 -6.453 9.622 -1.736 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.775 10.530 -0.946 1.00 0.00 C ATOM 0 H PHE A 20 -6.214 4.612 2.008 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.454 5.273 -0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.495 6.212 0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.835 6.661 1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.311 8.620 1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.251 7.648 -1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.832 10.876 0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.774 9.903 -2.728 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.567 11.522 -1.319 1.00 0.00 H new ATOM 275 N CYS A 21 -3.694 6.269 1.867 1.00 0.00 N ATOM 276 CA CYS A 21 -2.438 6.894 2.266 1.00 0.00 C ATOM 277 C CYS A 21 -1.249 6.177 1.634 1.00 0.00 C ATOM 278 O CYS A 21 -0.282 6.811 1.211 1.00 0.00 O ATOM 279 CB CYS A 21 -2.302 6.886 3.789 1.00 0.00 C ATOM 280 SG CYS A 21 -1.570 5.374 4.458 1.00 0.00 S ATOM 0 H CYS A 21 -4.199 5.813 2.627 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.446 7.926 1.914 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.692 7.737 4.093 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.288 7.026 4.232 1.00 0.00 H new ATOM 0 HG CYS A 21 -2.129 4.339 3.904 1.00 0.00 H new ATOM 286 N SER A 22 -1.327 4.852 1.573 1.00 0.00 N ATOM 287 CA SER A 22 -0.255 4.048 0.998 1.00 0.00 C ATOM 288 C SER A 22 -0.367 4.002 -0.523 1.00 0.00 C ATOM 289 O SER A 22 0.619 3.769 -1.221 1.00 0.00 O ATOM 290 CB SER A 22 -0.293 2.628 1.566 1.00 0.00 C ATOM 291 OG SER A 22 1.001 2.049 1.578 1.00 0.00 O ATOM 0 H SER A 22 -2.122 4.312 1.915 1.00 0.00 H new ATOM 0 HA SER A 22 0.695 4.512 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.695 2.649 2.579 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.965 2.012 0.969 1.00 0.00 H new ATOM 0 HG SER A 22 0.950 1.142 1.947 1.00 0.00 H new ATOM 297 N GLU A 23 -1.576 4.227 -1.028 1.00 0.00 N ATOM 298 CA GLU A 23 -1.817 4.211 -2.466 1.00 0.00 C ATOM 299 C GLU A 23 -1.258 5.468 -3.126 1.00 0.00 C ATOM 300 O GLU A 23 -0.669 5.407 -4.205 1.00 0.00 O ATOM 301 CB GLU A 23 -3.316 4.095 -2.753 1.00 0.00 C ATOM 302 CG GLU A 23 -3.646 3.988 -4.232 1.00 0.00 C ATOM 303 CD GLU A 23 -3.191 5.201 -5.021 1.00 0.00 C ATOM 304 OE1 GLU A 23 -3.705 6.308 -4.754 1.00 0.00 O ATOM 305 OE2 GLU A 23 -2.323 5.044 -5.904 1.00 0.00 O ATOM 0 H GLU A 23 -2.403 4.422 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.306 3.344 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.709 3.219 -2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.825 4.965 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.174 3.095 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.722 3.864 -4.352 1.00 0.00 H new ATOM 312 N PHE A 24 -1.448 6.608 -2.469 1.00 0.00 N ATOM 313 CA PHE A 24 -0.964 7.881 -2.992 1.00 0.00 C ATOM 314 C PHE A 24 0.453 8.167 -2.502 1.00 0.00 C ATOM 315 O PHE A 24 1.129 9.059 -3.013 1.00 0.00 O ATOM 316 CB PHE A 24 -1.899 9.017 -2.573 1.00 0.00 C ATOM 317 CG PHE A 24 -3.005 9.276 -3.557 1.00 0.00 C ATOM 318 CD1 PHE A 24 -4.151 8.497 -3.552 1.00 0.00 C ATOM 319 CD2 PHE A 24 -2.899 10.299 -4.485 1.00 0.00 C ATOM 320 CE1 PHE A 24 -5.169 8.733 -4.456 1.00 0.00 C ATOM 321 CE2 PHE A 24 -3.914 10.540 -5.391 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.051 9.756 -5.376 1.00 0.00 C ATOM 0 H PHE A 24 -1.933 6.676 -1.574 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.947 7.816 -4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.335 8.779 -1.603 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.316 9.929 -2.446 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.250 7.697 -2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.012 10.916 -4.501 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.056 8.118 -4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.818 11.340 -6.110 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.846 9.943 -6.082 1.00 0.00 H new ATOM 332 N ARG A 25 0.894 7.403 -1.508 1.00 0.00 N ATOM 333 CA ARG A 25 2.229 7.575 -0.947 1.00 0.00 C ATOM 334 C ARG A 25 3.281 7.621 -2.051 1.00 0.00 C ATOM 335 O ARG A 25 4.168 8.475 -2.062 1.00 0.00 O ATOM 336 CB ARG A 25 2.546 6.438 0.027 1.00 0.00 C ATOM 337 CG ARG A 25 3.426 6.862 1.191 1.00 0.00 C ATOM 338 CD ARG A 25 3.738 5.691 2.109 1.00 0.00 C ATOM 339 NE ARG A 25 4.511 4.654 1.431 1.00 0.00 N ATOM 340 CZ ARG A 25 4.627 3.410 1.881 1.00 0.00 C ATOM 341 NH1 ARG A 25 4.023 3.049 3.005 1.00 0.00 N ATOM 342 NH2 ARG A 25 5.349 2.524 1.207 1.00 0.00 N ATOM 0 H ARG A 25 0.347 6.659 -1.075 1.00 0.00 H new ATOM 0 HA ARG A 25 2.250 8.523 -0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.612 6.034 0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.040 5.632 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.356 7.285 0.810 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.927 7.648 1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.293 6.048 2.976 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.807 5.264 2.481 1.00 0.00 H new ATOM 0 HE ARG A 25 4.988 4.899 0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.468 3.727 3.526 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.114 2.093 3.348 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.816 2.798 0.342 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.437 1.569 1.554 1.00 0.00 H new ATOM 356 N PRO A 26 3.182 6.681 -3.003 1.00 0.00 N ATOM 357 CA PRO A 26 4.116 6.593 -4.129 1.00 0.00 C ATOM 358 C PRO A 26 4.337 7.942 -4.806 1.00 0.00 C ATOM 359 O PRO A 26 5.469 8.411 -4.924 1.00 0.00 O ATOM 360 CB PRO A 26 3.425 5.621 -5.088 1.00 0.00 C ATOM 361 CG PRO A 26 2.558 4.780 -4.216 1.00 0.00 C ATOM 362 CD PRO A 26 2.150 5.632 -3.053 1.00 0.00 C ATOM 0 HA PRO A 26 5.107 6.268 -3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.837 6.153 -5.835 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.152 5.014 -5.628 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.683 4.431 -4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.096 3.895 -3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.156 6.056 -3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.120 5.057 -2.128 1.00 0.00 H new ATOM 370 N LYS A 27 3.248 8.562 -5.248 1.00 0.00 N ATOM 371 CA LYS A 27 3.322 9.858 -5.911 1.00 0.00 C ATOM 372 C LYS A 27 4.054 10.874 -5.041 1.00 0.00 C ATOM 373 O LYS A 27 5.069 11.439 -5.449 1.00 0.00 O ATOM 374 CB LYS A 27 1.916 10.368 -6.236 1.00 0.00 C ATOM 375 CG LYS A 27 1.074 9.375 -7.018 1.00 0.00 C ATOM 376 CD LYS A 27 -0.405 9.530 -6.706 1.00 0.00 C ATOM 377 CE LYS A 27 -1.216 8.370 -7.262 1.00 0.00 C ATOM 378 NZ LYS A 27 -1.466 8.517 -8.722 1.00 0.00 N ATOM 0 H LYS A 27 2.303 8.187 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 27 3.880 9.732 -6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.403 10.613 -5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.997 11.292 -6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.238 9.519 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.392 8.360 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.546 9.590 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.771 10.466 -7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.687 7.435 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.168 8.307 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.022 7.706 -9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.993 9.396 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.558 8.551 -9.228 1.00 0.00 H new ATOM 392 N ILE A 28 3.534 11.101 -3.839 1.00 0.00 N ATOM 393 CA ILE A 28 4.140 12.047 -2.911 1.00 0.00 C ATOM 394 C ILE A 28 5.640 11.806 -2.782 1.00 0.00 C ATOM 395 O ILE A 28 6.434 12.747 -2.774 1.00 0.00 O ATOM 396 CB ILE A 28 3.495 11.958 -1.515 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.005 12.295 -1.595 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.204 12.891 -0.544 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.262 12.061 -0.298 1.00 0.00 C ATOM 0 H ILE A 28 2.694 10.642 -3.485 1.00 0.00 H new ATOM 0 HA ILE A 28 3.968 13.043 -3.319 1.00 0.00 H new ATOM 0 HB ILE A 28 3.597 10.937 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.892 13.339 -1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.547 11.694 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.737 12.817 0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.254 12.608 -0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.129 13.917 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.212 12.321 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.344 11.011 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.695 12.682 0.486 1.00 0.00 H new ATOM 411 N LYS A 29 6.024 10.538 -2.682 1.00 0.00 N ATOM 412 CA LYS A 29 7.429 10.170 -2.557 1.00 0.00 C ATOM 413 C LYS A 29 8.162 10.364 -3.880 1.00 0.00 C ATOM 414 O LYS A 29 9.388 10.477 -3.911 1.00 0.00 O ATOM 415 CB LYS A 29 7.558 8.716 -2.098 1.00 0.00 C ATOM 416 CG LYS A 29 7.051 8.476 -0.687 1.00 0.00 C ATOM 417 CD LYS A 29 7.799 7.339 -0.011 1.00 0.00 C ATOM 418 CE LYS A 29 9.095 7.822 0.622 1.00 0.00 C ATOM 419 NZ LYS A 29 8.885 8.307 2.014 1.00 0.00 N ATOM 0 H LYS A 29 5.380 9.747 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 29 7.884 10.821 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.006 8.076 -2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.605 8.418 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.164 9.387 -0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.986 8.245 -0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.165 6.889 0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.018 6.561 -0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.822 7.010 0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.517 8.625 0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.792 8.627 2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.211 9.099 2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.506 7.534 2.597 1.00 0.00 H new ATOM 433 N SER A 30 7.404 10.403 -4.971 1.00 0.00 N ATOM 434 CA SER A 30 7.983 10.581 -6.298 1.00 0.00 C ATOM 435 C SER A 30 7.917 12.043 -6.728 1.00 0.00 C ATOM 436 O SER A 30 8.604 12.461 -7.660 1.00 0.00 O ATOM 437 CB SER A 30 7.252 9.705 -7.318 1.00 0.00 C ATOM 438 OG SER A 30 7.844 9.814 -8.601 1.00 0.00 O ATOM 0 H SER A 30 6.388 10.314 -4.963 1.00 0.00 H new ATOM 0 HA SER A 30 9.030 10.280 -6.254 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.274 8.665 -6.991 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.204 10.001 -7.371 1.00 0.00 H new ATOM 0 HG SER A 30 8.182 10.725 -8.729 1.00 0.00 H new ATOM 444 N THR A 31 7.083 12.819 -6.040 1.00 0.00 N ATOM 445 CA THR A 31 6.925 14.234 -6.350 1.00 0.00 C ATOM 446 C THR A 31 7.801 15.095 -5.447 1.00 0.00 C ATOM 447 O THR A 31 8.426 16.052 -5.903 1.00 0.00 O ATOM 448 CB THR A 31 5.459 14.681 -6.201 1.00 0.00 C ATOM 449 OG1 THR A 31 4.792 13.861 -5.235 1.00 0.00 O ATOM 450 CG2 THR A 31 4.730 14.597 -7.534 1.00 0.00 C ATOM 0 H THR A 31 6.507 12.490 -5.265 1.00 0.00 H new ATOM 0 HA THR A 31 7.234 14.367 -7.387 1.00 0.00 H new ATOM 0 HB THR A 31 5.451 15.718 -5.864 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.616 12.978 -5.622 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.696 14.918 -7.404 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.222 15.245 -8.259 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.748 13.569 -7.895 1.00 0.00 H new ATOM 458 N ASN A 32 7.842 14.749 -4.165 1.00 0.00 N ATOM 459 CA ASN A 32 8.643 15.491 -3.198 1.00 0.00 C ATOM 460 C ASN A 32 10.049 14.909 -3.094 1.00 0.00 C ATOM 461 O ASN A 32 10.238 13.706 -2.914 1.00 0.00 O ATOM 462 CB ASN A 32 7.968 15.472 -1.825 1.00 0.00 C ATOM 463 CG ASN A 32 6.682 16.276 -1.801 1.00 0.00 C ATOM 464 OD1 ASN A 32 6.659 17.417 -1.339 1.00 0.00 O ATOM 465 ND2 ASN A 32 5.605 15.683 -2.300 1.00 0.00 N ATOM 0 H ASN A 32 7.330 13.960 -3.771 1.00 0.00 H new ATOM 0 HA ASN A 32 8.721 16.522 -3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.754 14.441 -1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.656 15.870 -1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.711 16.174 -2.311 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.671 14.736 -2.672 1.00 0.00 H new ATOM 472 N PRO A 33 11.061 15.782 -3.209 1.00 0.00 N ATOM 473 CA PRO A 33 12.468 15.377 -3.130 1.00 0.00 C ATOM 474 C PRO A 33 12.869 14.947 -1.724 1.00 0.00 C ATOM 475 O PRO A 33 12.605 15.651 -0.750 1.00 0.00 O ATOM 476 CB PRO A 33 13.224 16.644 -3.539 1.00 0.00 C ATOM 477 CG PRO A 33 12.299 17.762 -3.204 1.00 0.00 C ATOM 478 CD PRO A 33 10.910 17.230 -3.425 1.00 0.00 C ATOM 0 HA PRO A 33 12.681 14.514 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.166 16.734 -2.999 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.466 16.635 -4.602 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.434 18.084 -2.171 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.490 18.629 -3.836 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.196 17.668 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.550 17.451 -4.430 1.00 0.00 H new ATOM 486 N GLY A 34 13.510 13.786 -1.625 1.00 0.00 N ATOM 487 CA GLY A 34 13.938 13.283 -0.333 1.00 0.00 C ATOM 488 C GLY A 34 12.929 13.564 0.762 1.00 0.00 C ATOM 489 O GLY A 34 13.290 14.026 1.845 1.00 0.00 O ATOM 0 H GLY A 34 13.740 13.185 -2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.104 12.208 -0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.893 13.737 -0.068 1.00 0.00 H new ATOM 493 N ILE A 35 11.660 13.287 0.481 1.00 0.00 N ATOM 494 CA ILE A 35 10.596 13.514 1.451 1.00 0.00 C ATOM 495 C ILE A 35 10.648 12.485 2.575 1.00 0.00 C ATOM 496 O ILE A 35 10.744 11.284 2.326 1.00 0.00 O ATOM 497 CB ILE A 35 9.208 13.462 0.785 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.139 13.994 1.743 1.00 0.00 C ATOM 499 CG2 ILE A 35 8.880 12.040 0.355 1.00 0.00 C ATOM 500 CD1 ILE A 35 6.874 14.444 1.046 1.00 0.00 C ATOM 0 H ILE A 35 11.344 12.905 -0.410 1.00 0.00 H new ATOM 0 HA ILE A 35 10.754 14.509 1.866 1.00 0.00 H new ATOM 0 HB ILE A 35 9.223 14.095 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.890 13.216 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.551 14.831 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.896 12.019 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.629 11.693 -0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.880 11.387 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.161 14.809 1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.110 15.244 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.438 13.604 0.505 1.00 0.00 H new ATOM 512 N SER A 36 10.582 12.965 3.812 1.00 0.00 N ATOM 513 CA SER A 36 10.623 12.087 4.976 1.00 0.00 C ATOM 514 C SER A 36 9.224 11.597 5.336 1.00 0.00 C ATOM 515 O SER A 36 8.239 12.314 5.161 1.00 0.00 O ATOM 516 CB SER A 36 11.244 12.816 6.169 1.00 0.00 C ATOM 517 OG SER A 36 11.907 11.909 7.032 1.00 0.00 O ATOM 0 H SER A 36 10.500 13.957 4.035 1.00 0.00 H new ATOM 0 HA SER A 36 11.239 11.223 4.727 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.950 13.566 5.813 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.467 13.345 6.720 1.00 0.00 H new ATOM 0 HG SER A 36 12.297 12.400 7.785 1.00 0.00 H new ATOM 523 N ILE A 37 9.146 10.370 5.841 1.00 0.00 N ATOM 524 CA ILE A 37 7.869 9.783 6.227 1.00 0.00 C ATOM 525 C ILE A 37 6.936 10.836 6.817 1.00 0.00 C ATOM 526 O ILE A 37 5.822 11.034 6.334 1.00 0.00 O ATOM 527 CB ILE A 37 8.057 8.649 7.252 1.00 0.00 C ATOM 528 CG1 ILE A 37 8.919 7.533 6.657 1.00 0.00 C ATOM 529 CG2 ILE A 37 6.707 8.105 7.694 1.00 0.00 C ATOM 530 CD1 ILE A 37 10.400 7.719 6.899 1.00 0.00 C ATOM 0 H ILE A 37 9.952 9.764 5.992 1.00 0.00 H new ATOM 0 HA ILE A 37 7.424 9.372 5.321 1.00 0.00 H new ATOM 0 HB ILE A 37 8.568 9.050 8.127 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.607 6.579 7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.739 7.479 5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.857 7.304 8.418 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.125 8.905 8.152 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.171 7.716 6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.949 6.891 6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.727 8.657 6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.593 7.743 7.971 1.00 0.00 H new ATOM 542 N GLY A 38 7.402 11.511 7.864 1.00 0.00 N ATOM 543 CA GLY A 38 6.597 12.537 8.501 1.00 0.00 C ATOM 544 C GLY A 38 5.922 13.451 7.498 1.00 0.00 C ATOM 545 O GLY A 38 4.698 13.589 7.500 1.00 0.00 O ATOM 0 H GLY A 38 8.321 11.366 8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.838 12.064 9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.228 13.131 9.162 1.00 0.00 H new ATOM 549 N ASP A 39 6.719 14.078 6.641 1.00 0.00 N ATOM 550 CA ASP A 39 6.191 14.985 5.628 1.00 0.00 C ATOM 551 C ASP A 39 4.983 14.372 4.927 1.00 0.00 C ATOM 552 O ASP A 39 3.886 14.930 4.956 1.00 0.00 O ATOM 553 CB ASP A 39 7.274 15.324 4.603 1.00 0.00 C ATOM 554 CG ASP A 39 8.332 16.254 5.164 1.00 0.00 C ATOM 555 OD1 ASP A 39 9.075 15.828 6.073 1.00 0.00 O ATOM 556 OD2 ASP A 39 8.418 17.407 4.693 1.00 0.00 O ATOM 0 H ASP A 39 7.734 13.975 6.627 1.00 0.00 H new ATOM 0 HA ASP A 39 5.873 15.901 6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.748 14.404 4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.812 15.787 3.731 1.00 0.00 H new ATOM 561 N VAL A 40 5.193 13.221 4.296 1.00 0.00 N ATOM 562 CA VAL A 40 4.121 12.532 3.587 1.00 0.00 C ATOM 563 C VAL A 40 2.903 12.342 4.483 1.00 0.00 C ATOM 564 O VAL A 40 1.775 12.626 4.082 1.00 0.00 O ATOM 565 CB VAL A 40 4.584 11.157 3.070 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.460 10.463 2.315 1.00 0.00 C ATOM 567 CG2 VAL A 40 5.816 11.306 2.189 1.00 0.00 C ATOM 0 H VAL A 40 6.095 12.746 4.261 1.00 0.00 H new ATOM 0 HA VAL A 40 3.849 13.159 2.738 1.00 0.00 H new ATOM 0 HB VAL A 40 4.850 10.538 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.806 9.493 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.608 10.321 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.159 11.076 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.129 10.325 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.579 11.943 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.623 11.757 2.766 1.00 0.00 H new ATOM 577 N ALA A 41 3.139 11.859 5.699 1.00 0.00 N ATOM 578 CA ALA A 41 2.061 11.633 6.653 1.00 0.00 C ATOM 579 C ALA A 41 1.173 12.866 6.780 1.00 0.00 C ATOM 580 O ALA A 41 -0.051 12.777 6.674 1.00 0.00 O ATOM 581 CB ALA A 41 2.630 11.248 8.011 1.00 0.00 C ATOM 0 H ALA A 41 4.067 11.617 6.046 1.00 0.00 H new ATOM 0 HA ALA A 41 1.447 10.812 6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.814 11.082 8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.216 10.334 7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.268 12.051 8.379 1.00 0.00 H new ATOM 587 N LYS A 42 1.796 14.017 7.009 1.00 0.00 N ATOM 588 CA LYS A 42 1.063 15.270 7.151 1.00 0.00 C ATOM 589 C LYS A 42 0.158 15.510 5.946 1.00 0.00 C ATOM 590 O LYS A 42 -1.031 15.790 6.097 1.00 0.00 O ATOM 591 CB LYS A 42 2.037 16.439 7.311 1.00 0.00 C ATOM 592 CG LYS A 42 1.359 17.798 7.325 1.00 0.00 C ATOM 593 CD LYS A 42 2.330 18.902 7.711 1.00 0.00 C ATOM 594 CE LYS A 42 1.853 20.260 7.219 1.00 0.00 C ATOM 595 NZ LYS A 42 2.781 21.353 7.623 1.00 0.00 N ATOM 0 H LYS A 42 2.808 14.108 7.100 1.00 0.00 H new ATOM 0 HA LYS A 42 0.440 15.199 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.595 16.311 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.761 16.412 6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.941 18.007 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.526 17.783 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.444 18.926 8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.313 18.687 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.764 20.242 6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.859 20.462 7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.421 22.262 7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.847 21.387 8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.724 21.174 7.222 1.00 0.00 H new ATOM 609 N LYS A 43 0.728 15.397 4.752 1.00 0.00 N ATOM 610 CA LYS A 43 -0.027 15.598 3.521 1.00 0.00 C ATOM 611 C LYS A 43 -1.185 14.610 3.425 1.00 0.00 C ATOM 612 O LYS A 43 -2.346 15.007 3.323 1.00 0.00 O ATOM 613 CB LYS A 43 0.890 15.446 2.305 1.00 0.00 C ATOM 614 CG LYS A 43 1.746 16.670 2.032 1.00 0.00 C ATOM 615 CD LYS A 43 2.648 16.462 0.826 1.00 0.00 C ATOM 616 CE LYS A 43 3.912 17.303 0.924 1.00 0.00 C ATOM 617 NZ LYS A 43 3.618 18.759 0.823 1.00 0.00 N ATOM 0 H LYS A 43 1.712 15.167 4.610 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.435 16.608 3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.540 14.585 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.281 15.235 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.103 17.534 1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.354 16.893 2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.916 15.408 0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.107 16.721 -0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.412 17.098 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.602 17.016 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.505 19.298 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.164 18.959 -0.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.980 19.039 1.595 1.00 0.00 H new ATOM 631 N LEU A 44 -0.861 13.322 3.459 1.00 0.00 N ATOM 632 CA LEU A 44 -1.875 12.276 3.378 1.00 0.00 C ATOM 633 C LEU A 44 -3.116 12.657 4.179 1.00 0.00 C ATOM 634 O LEU A 44 -4.229 12.664 3.654 1.00 0.00 O ATOM 635 CB LEU A 44 -1.311 10.950 3.890 1.00 0.00 C ATOM 636 CG LEU A 44 -0.227 10.304 3.027 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.330 9.064 3.709 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.777 9.956 1.651 1.00 0.00 C ATOM 0 H LEU A 44 0.095 12.977 3.542 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.161 12.162 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.904 11.112 4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.135 10.243 3.993 1.00 0.00 H new ATOM 0 HG LEU A 44 0.585 11.020 2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.100 8.618 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.762 9.341 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.473 8.343 3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.009 9.497 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.607 9.258 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.127 10.863 1.159 1.00 0.00 H new ATOM 650 N GLY A 45 -2.916 12.976 5.454 1.00 0.00 N ATOM 651 CA GLY A 45 -4.027 13.356 6.307 1.00 0.00 C ATOM 652 C GLY A 45 -4.914 14.407 5.669 1.00 0.00 C ATOM 653 O GLY A 45 -6.137 14.361 5.805 1.00 0.00 O ATOM 0 H GLY A 45 -2.004 12.978 5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.623 12.473 6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.641 13.736 7.253 1.00 0.00 H new ATOM 657 N GLU A 46 -4.298 15.357 4.974 1.00 0.00 N ATOM 658 CA GLU A 46 -5.040 16.425 4.316 1.00 0.00 C ATOM 659 C GLU A 46 -5.860 15.880 3.150 1.00 0.00 C ATOM 660 O GLU A 46 -7.072 16.082 3.082 1.00 0.00 O ATOM 661 CB GLU A 46 -4.083 17.510 3.817 1.00 0.00 C ATOM 662 CG GLU A 46 -3.708 18.527 4.881 1.00 0.00 C ATOM 663 CD GLU A 46 -3.366 19.884 4.297 1.00 0.00 C ATOM 664 OE1 GLU A 46 -3.782 20.159 3.152 1.00 0.00 O ATOM 665 OE2 GLU A 46 -2.683 20.671 4.985 1.00 0.00 O ATOM 0 H GLU A 46 -3.287 15.409 4.852 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.722 16.860 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.175 17.037 3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.543 18.029 2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.536 18.636 5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.856 18.155 5.449 1.00 0.00 H new ATOM 672 N MET A 47 -5.189 15.188 2.235 1.00 0.00 N ATOM 673 CA MET A 47 -5.855 14.612 1.073 1.00 0.00 C ATOM 674 C MET A 47 -7.020 13.723 1.498 1.00 0.00 C ATOM 675 O MET A 47 -8.099 13.774 0.908 1.00 0.00 O ATOM 676 CB MET A 47 -4.861 13.804 0.236 1.00 0.00 C ATOM 677 CG MET A 47 -3.564 14.545 -0.048 1.00 0.00 C ATOM 678 SD MET A 47 -2.804 14.042 -1.604 1.00 0.00 S ATOM 679 CE MET A 47 -2.591 12.286 -1.325 1.00 0.00 C ATOM 0 H MET A 47 -4.185 15.013 2.276 1.00 0.00 H new ATOM 0 HA MET A 47 -6.247 15.430 0.469 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.632 12.874 0.756 1.00 0.00 H new ATOM 0 HB3 MET A 47 -5.330 13.533 -0.710 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.760 15.617 -0.074 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.863 14.369 0.768 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.601 11.981 -1.664 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.693 12.072 -0.261 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.350 11.735 -1.880 1.00 0.00 H new ATOM 689 N TRP A 48 -6.794 12.910 2.524 1.00 0.00 N ATOM 690 CA TRP A 48 -7.825 12.010 3.027 1.00 0.00 C ATOM 691 C TRP A 48 -9.068 12.786 3.445 1.00 0.00 C ATOM 692 O TRP A 48 -10.167 12.528 2.955 1.00 0.00 O ATOM 693 CB TRP A 48 -7.291 11.201 4.210 1.00 0.00 C ATOM 694 CG TRP A 48 -8.301 10.255 4.787 1.00 0.00 C ATOM 695 CD1 TRP A 48 -8.704 10.181 6.089 1.00 0.00 C ATOM 696 CD2 TRP A 48 -9.033 9.248 4.080 1.00 0.00 C ATOM 697 NE1 TRP A 48 -9.643 9.188 6.235 1.00 0.00 N ATOM 698 CE2 TRP A 48 -9.863 8.602 5.017 1.00 0.00 C ATOM 699 CE3 TRP A 48 -9.071 8.831 2.747 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.717 7.561 4.662 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.919 7.798 2.396 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.733 7.173 3.349 1.00 0.00 C ATOM 0 H TRP A 48 -5.906 12.856 3.023 1.00 0.00 H new ATOM 0 HA TRP A 48 -8.100 11.327 2.223 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.416 10.636 3.889 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.959 11.887 4.990 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.339 10.810 6.887 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.102 8.930 7.109 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.449 9.308 2.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.344 7.077 5.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.955 7.467 1.369 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.386 6.369 3.042 1.00 0.00 H new ATOM 713 N ASN A 49 -8.888 13.739 4.354 1.00 0.00 N ATOM 714 CA ASN A 49 -9.997 14.553 4.839 1.00 0.00 C ATOM 715 C ASN A 49 -10.587 15.394 3.712 1.00 0.00 C ATOM 716 O ASN A 49 -11.707 15.893 3.817 1.00 0.00 O ATOM 717 CB ASN A 49 -9.530 15.462 5.978 1.00 0.00 C ATOM 718 CG ASN A 49 -10.642 15.774 6.961 1.00 0.00 C ATOM 719 OD1 ASN A 49 -10.633 15.300 8.097 1.00 0.00 O ATOM 720 ND2 ASN A 49 -11.607 16.576 6.526 1.00 0.00 N ATOM 0 H ASN A 49 -7.985 13.967 4.770 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.771 13.883 5.212 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.705 14.984 6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.145 16.393 5.562 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.382 16.822 7.142 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.573 16.946 5.576 1.00 0.00 H new ATOM 727 N ASN A 50 -9.825 15.547 2.633 1.00 0.00 N ATOM 728 CA ASN A 50 -10.273 16.328 1.486 1.00 0.00 C ATOM 729 C ASN A 50 -11.185 15.499 0.586 1.00 0.00 C ATOM 730 O ASN A 50 -12.114 16.025 -0.028 1.00 0.00 O ATOM 731 CB ASN A 50 -9.070 16.833 0.686 1.00 0.00 C ATOM 732 CG ASN A 50 -8.582 18.185 1.167 1.00 0.00 C ATOM 733 OD1 ASN A 50 -7.370 18.219 1.708 1.00 0.00 O flip ATOM 734 ND2 ASN A 50 -9.287 19.188 1.054 1.00 0.00 N flip ATOM 0 H ASN A 50 -8.895 15.141 2.530 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.839 17.182 1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.258 16.109 0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.341 16.901 -0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.213 19.116 0.632 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.945 20.091 1.383 1.00 0.00 H new ATOM 741 N LEU A 51 -10.913 14.201 0.513 1.00 0.00 N ATOM 742 CA LEU A 51 -11.709 13.298 -0.311 1.00 0.00 C ATOM 743 C LEU A 51 -13.186 13.383 0.058 1.00 0.00 C ATOM 744 O LEU A 51 -13.539 13.845 1.142 1.00 0.00 O ATOM 745 CB LEU A 51 -11.214 11.859 -0.151 1.00 0.00 C ATOM 746 CG LEU A 51 -9.878 11.531 -0.818 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.255 10.295 -0.188 1.00 0.00 C ATOM 748 CD2 LEU A 51 -10.064 11.332 -2.316 1.00 0.00 C ATOM 0 H LEU A 51 -10.148 13.750 1.014 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.595 13.601 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.129 11.642 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.973 11.188 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.202 12.372 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.305 10.077 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.085 10.474 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.928 9.446 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.103 11.099 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.758 10.510 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.465 12.245 -2.757 1.00 0.00 H new ATOM 760 N ASN A 52 -14.045 12.933 -0.851 1.00 0.00 N ATOM 761 CA ASN A 52 -15.485 12.957 -0.620 1.00 0.00 C ATOM 762 C ASN A 52 -15.996 11.574 -0.226 1.00 0.00 C ATOM 763 O ASN A 52 -15.413 10.556 -0.599 1.00 0.00 O ATOM 764 CB ASN A 52 -16.215 13.445 -1.873 1.00 0.00 C ATOM 765 CG ASN A 52 -16.041 14.934 -2.100 1.00 0.00 C ATOM 766 OD1 ASN A 52 -16.413 15.750 -1.257 1.00 0.00 O ATOM 767 ND2 ASN A 52 -15.472 15.295 -3.245 1.00 0.00 N ATOM 0 H ASN A 52 -13.769 12.547 -1.754 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.685 13.646 0.201 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.843 12.902 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.277 13.215 -1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.328 16.283 -3.454 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.179 14.584 -3.915 1.00 0.00 H new ATOM 774 N ASP A 53 -17.089 11.546 0.529 1.00 0.00 N ATOM 775 CA ASP A 53 -17.680 10.289 0.972 1.00 0.00 C ATOM 776 C ASP A 53 -17.762 9.291 -0.179 1.00 0.00 C ATOM 777 O ASP A 53 -17.567 8.091 0.011 1.00 0.00 O ATOM 778 CB ASP A 53 -19.074 10.533 1.552 1.00 0.00 C ATOM 779 CG ASP A 53 -20.001 11.212 0.564 1.00 0.00 C ATOM 780 OD1 ASP A 53 -19.825 12.425 0.322 1.00 0.00 O ATOM 781 OD2 ASP A 53 -20.904 10.532 0.032 1.00 0.00 O ATOM 0 H ASP A 53 -17.583 12.380 0.847 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.040 9.869 1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.508 9.581 1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -18.989 11.148 2.448 1.00 0.00 H new ATOM 786 N SER A 54 -18.052 9.797 -1.374 1.00 0.00 N ATOM 787 CA SER A 54 -18.165 8.949 -2.556 1.00 0.00 C ATOM 788 C SER A 54 -16.794 8.443 -2.994 1.00 0.00 C ATOM 789 O SER A 54 -16.674 7.359 -3.563 1.00 0.00 O ATOM 790 CB SER A 54 -18.826 9.719 -3.700 1.00 0.00 C ATOM 791 OG SER A 54 -18.824 8.958 -4.895 1.00 0.00 O ATOM 0 H SER A 54 -18.213 10.789 -1.549 1.00 0.00 H new ATOM 0 HA SER A 54 -18.785 8.090 -2.299 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.851 9.972 -3.428 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.298 10.659 -3.863 1.00 0.00 H new ATOM 0 HG SER A 54 -19.253 9.472 -5.611 1.00 0.00 H new ATOM 797 N GLU A 55 -15.762 9.237 -2.723 1.00 0.00 N ATOM 798 CA GLU A 55 -14.400 8.870 -3.090 1.00 0.00 C ATOM 799 C GLU A 55 -13.845 7.816 -2.136 1.00 0.00 C ATOM 800 O GLU A 55 -13.080 6.938 -2.538 1.00 0.00 O ATOM 801 CB GLU A 55 -13.496 10.104 -3.084 1.00 0.00 C ATOM 802 CG GLU A 55 -13.707 11.019 -4.279 1.00 0.00 C ATOM 803 CD GLU A 55 -13.052 10.491 -5.541 1.00 0.00 C ATOM 804 OE1 GLU A 55 -11.804 10.467 -5.596 1.00 0.00 O ATOM 805 OE2 GLU A 55 -13.787 10.102 -6.473 1.00 0.00 O ATOM 0 H GLU A 55 -15.844 10.138 -2.251 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.423 8.450 -4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.673 10.669 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.455 9.781 -3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.776 11.142 -4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.305 12.006 -4.051 1.00 0.00 H new ATOM 812 N LYS A 56 -14.234 7.909 -0.869 1.00 0.00 N ATOM 813 CA LYS A 56 -13.778 6.964 0.144 1.00 0.00 C ATOM 814 C LYS A 56 -14.558 5.657 0.059 1.00 0.00 C ATOM 815 O LYS A 56 -14.105 4.621 0.546 1.00 0.00 O ATOM 816 CB LYS A 56 -13.928 7.571 1.541 1.00 0.00 C ATOM 817 CG LYS A 56 -13.079 8.811 1.760 1.00 0.00 C ATOM 818 CD LYS A 56 -13.334 9.427 3.126 1.00 0.00 C ATOM 819 CE LYS A 56 -12.298 10.489 3.460 1.00 0.00 C ATOM 820 NZ LYS A 56 -12.790 11.437 4.497 1.00 0.00 N ATOM 0 H LYS A 56 -14.865 8.630 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.725 6.750 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.975 7.824 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.659 6.821 2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.024 8.552 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.296 9.544 0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.330 9.869 3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.316 8.647 3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.385 10.008 3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.040 11.041 2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.055 12.145 4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.647 11.915 4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.012 10.914 5.368 1.00 0.00 H new ATOM 834 N GLN A 57 -15.731 5.712 -0.563 1.00 0.00 N ATOM 835 CA GLN A 57 -16.573 4.531 -0.712 1.00 0.00 C ATOM 836 C GLN A 57 -15.750 3.328 -1.161 1.00 0.00 C ATOM 837 O GLN A 57 -15.706 2.292 -0.498 1.00 0.00 O ATOM 838 CB GLN A 57 -17.694 4.800 -1.717 1.00 0.00 C ATOM 839 CG GLN A 57 -18.982 5.291 -1.075 1.00 0.00 C ATOM 840 CD GLN A 57 -19.780 4.170 -0.437 1.00 0.00 C ATOM 841 OE1 GLN A 57 -20.525 3.461 -1.113 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.628 4.005 0.872 1.00 0.00 N ATOM 0 H GLN A 57 -16.120 6.562 -0.972 1.00 0.00 H new ATOM 0 HA GLN A 57 -17.012 4.306 0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.353 5.541 -2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.900 3.885 -2.272 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.744 6.039 -0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.595 5.784 -1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.999 4.616 1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -20.140 3.267 1.356 1.00 0.00 H new ATOM 851 N PRO A 58 -15.081 3.467 -2.316 1.00 0.00 N ATOM 852 CA PRO A 58 -14.246 2.402 -2.880 1.00 0.00 C ATOM 853 C PRO A 58 -12.981 2.162 -2.062 1.00 0.00 C ATOM 854 O PRO A 58 -12.250 1.200 -2.300 1.00 0.00 O ATOM 855 CB PRO A 58 -13.891 2.930 -4.272 1.00 0.00 C ATOM 856 CG PRO A 58 -13.989 4.411 -4.152 1.00 0.00 C ATOM 857 CD PRO A 58 -15.087 4.674 -3.159 1.00 0.00 C ATOM 0 HA PRO A 58 -14.762 1.442 -2.892 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.888 2.622 -4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.578 2.548 -5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.045 4.838 -3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -14.217 4.866 -5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -14.893 5.573 -2.574 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.049 4.815 -3.652 1.00 0.00 H new ATOM 865 N TYR A 59 -12.730 3.041 -1.099 1.00 0.00 N ATOM 866 CA TYR A 59 -11.552 2.926 -0.247 1.00 0.00 C ATOM 867 C TYR A 59 -11.888 2.201 1.052 1.00 0.00 C ATOM 868 O TYR A 59 -11.030 1.559 1.658 1.00 0.00 O ATOM 869 CB TYR A 59 -10.982 4.311 0.061 1.00 0.00 C ATOM 870 CG TYR A 59 -10.051 4.835 -1.009 1.00 0.00 C ATOM 871 CD1 TYR A 59 -8.896 4.142 -1.353 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.326 6.022 -1.677 1.00 0.00 C ATOM 873 CE1 TYR A 59 -8.042 4.618 -2.329 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.478 6.504 -2.655 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.338 5.799 -2.978 1.00 0.00 C ATOM 876 OH TYR A 59 -7.490 6.274 -3.952 1.00 0.00 O ATOM 0 H TYR A 59 -13.326 3.841 -0.888 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.803 2.344 -0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.806 5.013 0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.446 4.271 1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.662 3.216 -0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.218 6.577 -1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.147 4.069 -2.583 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.707 7.429 -3.164 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.842 7.115 -4.311 1.00 0.00 H new ATOM 886 N ILE A 60 -13.144 2.308 1.474 1.00 0.00 N ATOM 887 CA ILE A 60 -13.595 1.662 2.700 1.00 0.00 C ATOM 888 C ILE A 60 -14.000 0.215 2.442 1.00 0.00 C ATOM 889 O ILE A 60 -13.823 -0.653 3.298 1.00 0.00 O ATOM 890 CB ILE A 60 -14.786 2.413 3.326 1.00 0.00 C ATOM 891 CG1 ILE A 60 -14.389 3.851 3.665 1.00 0.00 C ATOM 892 CG2 ILE A 60 -15.275 1.686 4.570 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.568 4.744 3.981 1.00 0.00 C ATOM 0 H ILE A 60 -13.867 2.836 0.985 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.756 1.683 3.395 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.600 2.442 2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.712 3.841 4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.837 4.275 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.116 2.228 5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.592 0.678 4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.467 1.630 5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -15.212 5.748 4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.235 4.784 3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -16.108 4.344 4.839 1.00 0.00 H new ATOM 905 N THR A 61 -14.543 -0.040 1.256 1.00 0.00 N ATOM 906 CA THR A 61 -14.972 -1.382 0.884 1.00 0.00 C ATOM 907 C THR A 61 -13.785 -2.335 0.799 1.00 0.00 C ATOM 908 O THR A 61 -13.872 -3.490 1.217 1.00 0.00 O ATOM 909 CB THR A 61 -15.712 -1.381 -0.467 1.00 0.00 C ATOM 910 OG1 THR A 61 -16.711 -0.355 -0.478 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.362 -2.731 -0.729 1.00 0.00 C ATOM 0 H THR A 61 -14.696 0.666 0.536 1.00 0.00 H new ATOM 0 HA THR A 61 -15.654 -1.723 1.663 1.00 0.00 H new ATOM 0 HB THR A 61 -14.984 -1.187 -1.255 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.282 0.518 -0.595 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.879 -2.706 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.596 -3.506 -0.749 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.078 -2.950 0.063 1.00 0.00 H new ATOM 919 N LYS A 62 -12.676 -1.844 0.256 1.00 0.00 N ATOM 920 CA LYS A 62 -11.470 -2.652 0.119 1.00 0.00 C ATOM 921 C LYS A 62 -10.919 -3.046 1.485 1.00 0.00 C ATOM 922 O LYS A 62 -10.644 -4.218 1.739 1.00 0.00 O ATOM 923 CB LYS A 62 -10.405 -1.884 -0.669 1.00 0.00 C ATOM 924 CG LYS A 62 -9.157 -2.700 -0.958 1.00 0.00 C ATOM 925 CD LYS A 62 -8.252 -1.999 -1.958 1.00 0.00 C ATOM 926 CE LYS A 62 -6.853 -2.596 -1.957 1.00 0.00 C ATOM 927 NZ LYS A 62 -5.852 -1.666 -2.550 1.00 0.00 N ATOM 0 H LYS A 62 -12.587 -0.891 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.732 -3.561 -0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.835 -1.547 -1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.124 -0.992 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.611 -2.873 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.442 -3.678 -1.347 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.682 -2.078 -2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.196 -0.937 -1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.562 -2.838 -0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.857 -3.531 -2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.912 -2.110 -2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.115 -1.454 -3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.830 -0.784 -2.000 1.00 0.00 H new ATOM 941 N ALA A 63 -10.764 -2.060 2.363 1.00 0.00 N ATOM 942 CA ALA A 63 -10.250 -2.305 3.704 1.00 0.00 C ATOM 943 C ALA A 63 -11.054 -3.392 4.410 1.00 0.00 C ATOM 944 O ALA A 63 -10.492 -4.247 5.094 1.00 0.00 O ATOM 945 CB ALA A 63 -10.268 -1.020 4.519 1.00 0.00 C ATOM 0 H ALA A 63 -10.987 -1.084 2.169 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.220 -2.651 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.881 -1.218 5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.645 -0.271 4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.291 -0.650 4.592 1.00 0.00 H new ATOM 951 N ALA A 64 -12.371 -3.352 4.239 1.00 0.00 N ATOM 952 CA ALA A 64 -13.252 -4.335 4.859 1.00 0.00 C ATOM 953 C ALA A 64 -12.817 -5.755 4.514 1.00 0.00 C ATOM 954 O ALA A 64 -12.962 -6.673 5.322 1.00 0.00 O ATOM 955 CB ALA A 64 -14.691 -4.102 4.425 1.00 0.00 C ATOM 0 H ALA A 64 -12.852 -2.650 3.677 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.187 -4.215 5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.337 -4.843 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.005 -3.103 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.763 -4.193 3.341 1.00 0.00 H new