USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 423 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 TYR OH : rot 180:sc=0.000382 USER MOD Set 1.2: A 50 GLN : amide:sc= -0.0156 X(o=-0.015,f=0.061) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0412 USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= -0.0581 (180deg=-0.385) USER MOD Single : A 18 GLN : amide:sc= 0.387 K(o=0.39,f=-2.2!) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.113 USER MOD Single : A 29 ASN : amide:sc= -2.37 K(o=-2.4,f=-6.8!) USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0325) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -118:sc= -0.366 (180deg=-1.94!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 79:sc= 1.22 USER MOD Single : A 44 THR OG1 : rot -88:sc= -0.486! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 86:sc= 0.63 USER MOD Single : A 56 GLN : amide:sc= -0.0865 K(o=-0.086,f=-1.3) USER MOD Single : A 57 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 177 N PRO A 13 -9.835 0.867 6.059 1.00 0.00 N ATOM 178 CA PRO A 13 -9.083 2.124 6.101 1.00 0.00 C ATOM 179 C PRO A 13 -8.358 2.409 4.790 1.00 0.00 C ATOM 180 O PRO A 13 -8.578 1.730 3.787 1.00 0.00 O ATOM 181 CB PRO A 13 -8.076 1.898 7.231 1.00 0.00 C ATOM 182 CG PRO A 13 -7.888 0.421 7.281 1.00 0.00 C ATOM 183 CD PRO A 13 -9.113 -0.236 6.716 1.00 0.00 C ATOM 0 HA PRO A 13 -9.734 2.984 6.258 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.135 2.410 7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.452 2.282 8.179 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.006 0.132 6.709 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.723 0.095 8.308 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.854 -1.022 6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.715 -0.698 7.498 1.00 0.00 H new ATOM 191 N TYR A 14 -7.492 3.417 4.806 1.00 0.00 N ATOM 192 CA TYR A 14 -6.735 3.793 3.618 1.00 0.00 C ATOM 193 C TYR A 14 -7.665 4.287 2.514 1.00 0.00 C ATOM 194 O TYR A 14 -8.436 3.515 1.944 1.00 0.00 O ATOM 195 CB TYR A 14 -5.913 2.605 3.114 1.00 0.00 C ATOM 196 CG TYR A 14 -5.100 1.930 4.195 1.00 0.00 C ATOM 197 CD1 TYR A 14 -4.046 2.590 4.813 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.386 0.631 4.598 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.299 1.977 5.801 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.646 0.010 5.586 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.604 0.687 6.184 1.00 0.00 C ATOM 202 OH TYR A 14 -2.863 0.073 7.168 1.00 0.00 O ATOM 0 H TYR A 14 -7.297 3.988 5.628 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.060 4.604 3.890 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.585 1.873 2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.242 2.946 2.326 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.806 3.600 4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.201 0.098 4.131 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.482 2.504 6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.882 -1.000 5.888 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.207 -0.832 7.320 1.00 0.00 H new ATOM 212 N SER A 15 -7.585 5.580 2.217 1.00 0.00 N ATOM 213 CA SER A 15 -8.421 6.180 1.183 1.00 0.00 C ATOM 214 C SER A 15 -7.983 5.720 -0.204 1.00 0.00 C ATOM 215 O SER A 15 -6.945 5.077 -0.359 1.00 0.00 O ATOM 216 CB SER A 15 -8.359 7.706 1.270 1.00 0.00 C ATOM 217 OG SER A 15 -9.370 8.304 0.476 1.00 0.00 O ATOM 0 H SER A 15 -6.950 6.232 2.677 1.00 0.00 H new ATOM 0 HA SER A 15 -9.449 5.855 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.474 8.019 2.308 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.380 8.053 0.939 1.00 0.00 H new ATOM 0 HG SER A 15 -9.310 9.279 0.550 1.00 0.00 H new ATOM 223 N LYS A 16 -8.783 6.055 -1.211 1.00 0.00 N ATOM 224 CA LYS A 16 -8.480 5.679 -2.587 1.00 0.00 C ATOM 225 C LYS A 16 -7.148 6.273 -3.032 1.00 0.00 C ATOM 226 O LYS A 16 -6.530 5.794 -3.982 1.00 0.00 O ATOM 227 CB LYS A 16 -9.597 6.146 -3.522 1.00 0.00 C ATOM 228 CG LYS A 16 -9.774 5.265 -4.747 1.00 0.00 C ATOM 229 CD LYS A 16 -11.212 5.271 -5.236 1.00 0.00 C ATOM 230 CE LYS A 16 -11.543 4.005 -6.011 1.00 0.00 C ATOM 231 NZ LYS A 16 -11.565 2.805 -5.130 1.00 0.00 N ATOM 0 H LYS A 16 -9.646 6.586 -1.100 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.407 4.592 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.535 6.175 -2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.386 7.165 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.116 5.612 -5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.474 4.245 -4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.886 5.364 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.378 6.141 -5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.513 4.118 -6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.808 3.861 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.149 2.064 -5.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.596 2.451 -5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.965 3.061 -4.205 1.00 0.00 H new ATOM 245 N GLY A 17 -6.709 7.319 -2.338 1.00 0.00 N ATOM 246 CA GLY A 17 -5.452 7.960 -2.677 1.00 0.00 C ATOM 247 C GLY A 17 -4.262 7.280 -2.030 1.00 0.00 C ATOM 248 O GLY A 17 -3.163 7.279 -2.584 1.00 0.00 O ATOM 0 H GLY A 17 -7.202 7.734 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.325 7.955 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.484 9.004 -2.365 1.00 0.00 H new ATOM 252 N GLN A 18 -4.481 6.702 -0.853 1.00 0.00 N ATOM 253 CA GLN A 18 -3.416 6.019 -0.129 1.00 0.00 C ATOM 254 C GLN A 18 -3.260 4.582 -0.618 1.00 0.00 C ATOM 255 O GLN A 18 -2.166 4.017 -0.577 1.00 0.00 O ATOM 256 CB GLN A 18 -3.704 6.029 1.374 1.00 0.00 C ATOM 257 CG GLN A 18 -3.720 7.423 1.980 1.00 0.00 C ATOM 258 CD GLN A 18 -4.176 7.426 3.426 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.373 7.368 3.711 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.223 7.493 4.348 1.00 0.00 N ATOM 0 H GLN A 18 -5.385 6.693 -0.381 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.484 6.552 -0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.667 5.552 1.554 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.951 5.429 1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.721 7.854 1.917 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.380 8.062 1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.244 7.540 4.067 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.470 7.498 5.338 1.00 0.00 H new ATOM 269 N LEU A 19 -4.359 3.997 -1.080 1.00 0.00 N ATOM 270 CA LEU A 19 -4.345 2.626 -1.577 1.00 0.00 C ATOM 271 C LEU A 19 -3.814 2.571 -3.006 1.00 0.00 C ATOM 272 O LEU A 19 -3.420 1.511 -3.492 1.00 0.00 O ATOM 273 CB LEU A 19 -5.751 2.027 -1.520 1.00 0.00 C ATOM 274 CG LEU A 19 -6.345 1.841 -0.123 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.848 1.624 -0.206 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.675 0.675 0.590 1.00 0.00 C ATOM 0 H LEU A 19 -5.272 4.451 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.682 2.041 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.420 2.667 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.731 1.057 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.161 2.748 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.253 1.494 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.315 2.489 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.055 0.733 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.110 0.557 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.828 -0.239 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.607 0.871 0.683 1.00 0.00 H new ATOM 288 N ARG A 20 -3.806 3.720 -3.674 1.00 0.00 N ATOM 289 CA ARG A 20 -3.323 3.802 -5.047 1.00 0.00 C ATOM 290 C ARG A 20 -1.847 3.424 -5.128 1.00 0.00 C ATOM 291 O ARG A 20 -1.402 2.833 -6.111 1.00 0.00 O ATOM 292 CB ARG A 20 -3.530 5.214 -5.599 1.00 0.00 C ATOM 293 CG ARG A 20 -3.915 5.243 -7.069 1.00 0.00 C ATOM 294 CD ARG A 20 -4.295 6.645 -7.518 1.00 0.00 C ATOM 295 NE ARG A 20 -4.252 6.786 -8.971 1.00 0.00 N ATOM 296 CZ ARG A 20 -4.193 7.957 -9.595 1.00 0.00 C ATOM 297 NH1 ARG A 20 -4.169 9.084 -8.896 1.00 0.00 N ATOM 298 NH2 ARG A 20 -4.157 8.003 -10.920 1.00 0.00 N ATOM 0 H ARG A 20 -4.129 4.607 -3.287 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.894 3.096 -5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.307 5.711 -5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.613 5.787 -5.461 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.082 4.880 -7.671 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.752 4.566 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.297 6.881 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.617 7.367 -7.064 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.268 5.938 -9.538 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.196 9.053 -7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.124 9.982 -9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.175 7.138 -11.461 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.112 8.903 -11.398 1.00 0.00 H new ATOM 312 N GLU A 21 -1.095 3.769 -4.087 1.00 0.00 N ATOM 313 CA GLU A 21 0.330 3.467 -4.042 1.00 0.00 C ATOM 314 C GLU A 21 0.574 2.078 -3.458 1.00 0.00 C ATOM 315 O GLU A 21 1.468 1.355 -3.898 1.00 0.00 O ATOM 316 CB GLU A 21 1.072 4.518 -3.213 1.00 0.00 C ATOM 317 CG GLU A 21 0.762 5.947 -3.625 1.00 0.00 C ATOM 318 CD GLU A 21 -0.396 6.540 -2.846 1.00 0.00 C ATOM 319 OE1 GLU A 21 -1.104 5.773 -2.160 1.00 0.00 O ATOM 320 OE2 GLU A 21 -0.594 7.771 -2.922 1.00 0.00 O ATOM 0 H GLU A 21 -1.449 4.257 -3.265 1.00 0.00 H new ATOM 0 HA GLU A 21 0.711 3.485 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.815 4.388 -2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.145 4.348 -3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.648 6.564 -3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.530 5.972 -4.690 1.00 0.00 H new ATOM 327 N LEU A 22 -0.229 1.712 -2.464 1.00 0.00 N ATOM 328 CA LEU A 22 -0.102 0.410 -1.818 1.00 0.00 C ATOM 329 C LEU A 22 -0.450 -0.715 -2.787 1.00 0.00 C ATOM 330 O LEU A 22 0.264 -1.713 -2.877 1.00 0.00 O ATOM 331 CB LEU A 22 -1.008 0.339 -0.588 1.00 0.00 C ATOM 332 CG LEU A 22 -0.691 1.325 0.537 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.864 1.433 1.498 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.570 0.902 1.278 1.00 0.00 C ATOM 0 H LEU A 22 -0.974 2.298 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 22 0.935 0.286 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.037 0.504 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.958 -0.672 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.517 2.306 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.620 2.139 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.745 1.783 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.069 0.455 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.780 1.615 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.425 -0.089 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.409 0.877 0.583 1.00 0.00 H new ATOM 346 N GLU A 23 -1.552 -0.545 -3.511 1.00 0.00 N ATOM 347 CA GLU A 23 -1.995 -1.546 -4.474 1.00 0.00 C ATOM 348 C GLU A 23 -0.983 -1.695 -5.607 1.00 0.00 C ATOM 349 O GLU A 23 -0.663 -2.808 -6.026 1.00 0.00 O ATOM 350 CB GLU A 23 -3.363 -1.169 -5.044 1.00 0.00 C ATOM 351 CG GLU A 23 -4.497 -1.294 -4.040 1.00 0.00 C ATOM 352 CD GLU A 23 -5.789 -0.678 -4.539 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.727 0.395 -5.174 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.862 -1.268 -4.293 1.00 0.00 O ATOM 0 H GLU A 23 -2.154 0.276 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.078 -2.501 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.324 -0.143 -5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.577 -1.806 -5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.664 -2.348 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.206 -0.812 -3.107 1.00 0.00 H new ATOM 361 N ARG A 24 -0.484 -0.566 -6.099 1.00 0.00 N ATOM 362 CA ARG A 24 0.489 -0.570 -7.185 1.00 0.00 C ATOM 363 C ARG A 24 1.758 -1.312 -6.775 1.00 0.00 C ATOM 364 O ARG A 24 2.134 -2.306 -7.394 1.00 0.00 O ATOM 365 CB ARG A 24 0.833 0.863 -7.595 1.00 0.00 C ATOM 366 CG ARG A 24 -0.064 1.415 -8.691 1.00 0.00 C ATOM 367 CD ARG A 24 0.617 2.540 -9.454 1.00 0.00 C ATOM 368 NE ARG A 24 1.480 2.035 -10.519 1.00 0.00 N ATOM 369 CZ ARG A 24 2.084 2.816 -11.407 1.00 0.00 C ATOM 370 NH1 ARG A 24 1.922 4.131 -11.358 1.00 0.00 N ATOM 371 NH2 ARG A 24 2.854 2.282 -12.347 1.00 0.00 N ATOM 0 H ARG A 24 -0.737 0.363 -5.763 1.00 0.00 H new ATOM 0 HA ARG A 24 0.045 -1.087 -8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.763 1.509 -6.720 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.869 0.896 -7.934 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.331 0.615 -9.382 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.993 1.781 -8.253 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.140 3.198 -9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.208 3.141 -8.763 1.00 0.00 H new ATOM 0 HE ARG A 24 1.627 1.028 -10.584 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.332 4.546 -10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.387 4.728 -12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.982 1.271 -12.388 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.318 2.883 -13.029 1.00 0.00 H new ATOM 385 N GLU A 25 2.412 -0.820 -5.727 1.00 0.00 N ATOM 386 CA GLU A 25 3.639 -1.436 -5.235 1.00 0.00 C ATOM 387 C GLU A 25 3.430 -2.923 -4.964 1.00 0.00 C ATOM 388 O GLU A 25 4.321 -3.740 -5.200 1.00 0.00 O ATOM 389 CB GLU A 25 4.113 -0.735 -3.961 1.00 0.00 C ATOM 390 CG GLU A 25 5.030 0.447 -4.222 1.00 0.00 C ATOM 391 CD GLU A 25 4.555 1.311 -5.374 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.796 0.931 -6.539 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.943 2.367 -5.110 1.00 0.00 O ATOM 0 H GLU A 25 2.113 0.002 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 25 4.403 -1.329 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.244 -0.392 -3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.634 -1.457 -3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.098 1.056 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.035 0.082 -4.436 1.00 0.00 H new ATOM 400 N TYR A 26 2.248 -3.267 -4.465 1.00 0.00 N ATOM 401 CA TYR A 26 1.922 -4.655 -4.158 1.00 0.00 C ATOM 402 C TYR A 26 1.898 -5.502 -5.426 1.00 0.00 C ATOM 403 O TYR A 26 2.496 -6.577 -5.479 1.00 0.00 O ATOM 404 CB TYR A 26 0.569 -4.738 -3.450 1.00 0.00 C ATOM 405 CG TYR A 26 0.062 -6.152 -3.278 1.00 0.00 C ATOM 406 CD1 TYR A 26 0.785 -7.086 -2.546 1.00 0.00 C ATOM 407 CD2 TYR A 26 -1.140 -6.555 -3.847 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.326 -8.379 -2.387 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.607 -7.845 -3.692 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.871 -8.754 -2.961 1.00 0.00 C ATOM 411 OH TYR A 26 -1.332 -10.041 -2.805 1.00 0.00 O ATOM 0 H TYR A 26 1.499 -2.604 -4.264 1.00 0.00 H new ATOM 0 HA TYR A 26 2.695 -5.046 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.652 -4.269 -2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.164 -4.164 -4.017 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.722 -6.796 -2.094 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.719 -5.847 -4.421 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.901 -9.093 -1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.544 -8.141 -4.141 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.189 -10.140 -3.270 1.00 0.00 H new ATOM 421 N ALA A 27 1.204 -5.010 -6.446 1.00 0.00 N ATOM 422 CA ALA A 27 1.103 -5.719 -7.716 1.00 0.00 C ATOM 423 C ALA A 27 2.466 -5.831 -8.392 1.00 0.00 C ATOM 424 O ALA A 27 2.721 -6.772 -9.143 1.00 0.00 O ATOM 425 CB ALA A 27 0.112 -5.020 -8.634 1.00 0.00 C ATOM 0 H ALA A 27 0.703 -4.122 -6.418 1.00 0.00 H new ATOM 0 HA ALA A 27 0.743 -6.728 -7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.047 -5.561 -9.578 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.869 -4.998 -8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.447 -4.000 -8.822 1.00 0.00 H new ATOM 431 N ALA A 28 3.337 -4.865 -8.120 1.00 0.00 N ATOM 432 CA ALA A 28 4.674 -4.856 -8.701 1.00 0.00 C ATOM 433 C ALA A 28 5.614 -5.774 -7.927 1.00 0.00 C ATOM 434 O ALA A 28 6.553 -6.334 -8.492 1.00 0.00 O ATOM 435 CB ALA A 28 5.225 -3.438 -8.734 1.00 0.00 C ATOM 0 H ALA A 28 3.141 -4.078 -7.501 1.00 0.00 H new ATOM 0 HA ALA A 28 4.603 -5.230 -9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.224 -3.446 -9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.571 -2.807 -9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.275 -3.044 -7.719 1.00 0.00 H new ATOM 441 N ASN A 29 5.356 -5.922 -6.632 1.00 0.00 N ATOM 442 CA ASN A 29 6.181 -6.772 -5.781 1.00 0.00 C ATOM 443 C ASN A 29 5.485 -7.052 -4.453 1.00 0.00 C ATOM 444 O ASN A 29 5.244 -6.140 -3.661 1.00 0.00 O ATOM 445 CB ASN A 29 7.538 -6.112 -5.528 1.00 0.00 C ATOM 446 CG ASN A 29 7.404 -4.712 -4.960 1.00 0.00 C ATOM 447 OD1 ASN A 29 7.573 -4.499 -3.759 1.00 0.00 O ATOM 448 ND2 ASN A 29 7.098 -3.750 -5.822 1.00 0.00 N ATOM 0 H ASN A 29 4.583 -5.465 -6.149 1.00 0.00 H new ATOM 0 HA ASN A 29 6.335 -7.720 -6.297 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.115 -6.727 -4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.098 -6.070 -6.462 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.994 -2.789 -5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.967 -3.972 -6.809 1.00 0.00 H new ATOM 455 N LYS A 30 5.164 -8.319 -4.215 1.00 0.00 N ATOM 456 CA LYS A 30 4.497 -8.721 -2.982 1.00 0.00 C ATOM 457 C LYS A 30 5.289 -8.267 -1.761 1.00 0.00 C ATOM 458 O LYS A 30 4.724 -8.040 -0.691 1.00 0.00 O ATOM 459 CB LYS A 30 4.315 -10.241 -2.949 1.00 0.00 C ATOM 460 CG LYS A 30 3.574 -10.791 -4.155 1.00 0.00 C ATOM 461 CD LYS A 30 2.101 -10.420 -4.121 1.00 0.00 C ATOM 462 CE LYS A 30 1.264 -11.383 -4.950 1.00 0.00 C ATOM 463 NZ LYS A 30 1.009 -12.660 -4.227 1.00 0.00 N ATOM 0 H LYS A 30 5.355 -9.086 -4.860 1.00 0.00 H new ATOM 0 HA LYS A 30 3.518 -8.243 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.295 -10.715 -2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.772 -10.514 -2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.026 -10.405 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.676 -11.876 -4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.747 -10.424 -3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.971 -9.406 -4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.314 -10.913 -5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.776 -11.593 -5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.830 -13.419 -4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.839 -12.904 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.179 -12.550 -3.610 1.00 0.00 H new ATOM 477 N PHE A 31 6.601 -8.134 -1.928 1.00 0.00 N ATOM 478 CA PHE A 31 7.471 -7.705 -0.839 1.00 0.00 C ATOM 479 C PHE A 31 8.304 -6.495 -1.253 1.00 0.00 C ATOM 480 O PHE A 31 9.134 -6.580 -2.158 1.00 0.00 O ATOM 481 CB PHE A 31 8.391 -8.851 -0.413 1.00 0.00 C ATOM 482 CG PHE A 31 7.652 -10.076 0.043 1.00 0.00 C ATOM 483 CD1 PHE A 31 7.156 -10.162 1.334 1.00 0.00 C ATOM 484 CD2 PHE A 31 7.452 -11.142 -0.820 1.00 0.00 C ATOM 485 CE1 PHE A 31 6.476 -11.289 1.756 1.00 0.00 C ATOM 486 CE2 PHE A 31 6.773 -12.271 -0.403 1.00 0.00 C ATOM 487 CZ PHE A 31 6.283 -12.344 0.886 1.00 0.00 C ATOM 0 H PHE A 31 7.085 -8.317 -2.807 1.00 0.00 H new ATOM 0 HA PHE A 31 6.843 -7.419 0.005 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.038 -9.117 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.038 -8.506 0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.302 -9.339 2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.831 -11.090 -1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.096 -11.344 2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.626 -13.096 -1.085 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.750 -13.224 1.213 1.00 0.00 H new ATOM 497 N ILE A 32 8.075 -5.371 -0.583 1.00 0.00 N ATOM 498 CA ILE A 32 8.804 -4.144 -0.880 1.00 0.00 C ATOM 499 C ILE A 32 10.131 -4.098 -0.130 1.00 0.00 C ATOM 500 O ILE A 32 10.437 -4.983 0.670 1.00 0.00 O ATOM 501 CB ILE A 32 7.978 -2.896 -0.515 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.780 -2.814 1.000 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.635 -2.922 -1.230 1.00 0.00 C ATOM 504 CD1 ILE A 32 6.994 -1.599 1.442 1.00 0.00 C ATOM 0 H ILE A 32 7.391 -5.284 0.169 1.00 0.00 H new ATOM 0 HA ILE A 32 8.995 -4.142 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 32 8.523 -2.010 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.266 -3.713 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.756 -2.802 1.486 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.063 -2.034 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.797 -2.938 -2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.082 -3.813 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.893 -1.606 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.518 -0.695 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.005 -1.620 0.985 1.00 0.00 H new ATOM 516 N THR A 33 10.918 -3.059 -0.394 1.00 0.00 N ATOM 517 CA THR A 33 12.212 -2.897 0.256 1.00 0.00 C ATOM 518 C THR A 33 12.189 -1.738 1.246 1.00 0.00 C ATOM 519 O THR A 33 11.343 -0.848 1.158 1.00 0.00 O ATOM 520 CB THR A 33 13.331 -2.653 -0.775 1.00 0.00 C ATOM 521 OG1 THR A 33 14.535 -2.259 -0.107 1.00 0.00 O ATOM 522 CG2 THR A 33 12.924 -1.580 -1.772 1.00 0.00 C ATOM 0 H THR A 33 10.681 -2.318 -1.053 1.00 0.00 H new ATOM 0 HA THR A 33 12.415 -3.825 0.791 1.00 0.00 H new ATOM 0 HB THR A 33 13.504 -3.583 -1.317 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.242 -2.108 -0.769 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.730 -1.425 -2.489 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.024 -1.896 -2.300 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.726 -0.648 -1.243 1.00 0.00 H new ATOM 530 N LYS A 34 13.124 -1.754 2.190 1.00 0.00 N ATOM 531 CA LYS A 34 13.213 -0.704 3.198 1.00 0.00 C ATOM 532 C LYS A 34 13.230 0.675 2.546 1.00 0.00 C ATOM 533 O LYS A 34 12.721 1.645 3.109 1.00 0.00 O ATOM 534 CB LYS A 34 14.469 -0.892 4.051 1.00 0.00 C ATOM 535 CG LYS A 34 14.222 -1.666 5.335 1.00 0.00 C ATOM 536 CD LYS A 34 15.523 -1.979 6.056 1.00 0.00 C ATOM 537 CE LYS A 34 16.245 -3.155 5.417 1.00 0.00 C ATOM 538 NZ LYS A 34 15.728 -4.460 5.915 1.00 0.00 N ATOM 0 H LYS A 34 13.832 -2.483 2.278 1.00 0.00 H new ATOM 0 HA LYS A 34 12.333 -0.774 3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.224 -1.413 3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.879 0.087 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.572 -1.087 5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.699 -2.595 5.106 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.169 -1.101 6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.316 -2.203 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.129 -3.108 4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.312 -3.083 5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.245 -5.236 5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.862 -4.516 6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.715 -4.540 5.693 1.00 0.00 H new ATOM 552 N ASP A 35 13.816 0.755 1.357 1.00 0.00 N ATOM 553 CA ASP A 35 13.897 2.015 0.627 1.00 0.00 C ATOM 554 C ASP A 35 12.531 2.414 0.078 1.00 0.00 C ATOM 555 O ASP A 35 12.187 3.595 0.037 1.00 0.00 O ATOM 556 CB ASP A 35 14.907 1.903 -0.516 1.00 0.00 C ATOM 557 CG ASP A 35 15.522 3.241 -0.878 1.00 0.00 C ATOM 558 OD1 ASP A 35 14.801 4.259 -0.825 1.00 0.00 O ATOM 559 OD2 ASP A 35 16.725 3.269 -1.216 1.00 0.00 O ATOM 0 H ASP A 35 14.242 -0.038 0.878 1.00 0.00 H new ATOM 0 HA ASP A 35 14.229 2.787 1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.697 1.208 -0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.414 1.484 -1.393 1.00 0.00 H new ATOM 564 N LYS A 36 11.755 1.421 -0.343 1.00 0.00 N ATOM 565 CA LYS A 36 10.426 1.666 -0.889 1.00 0.00 C ATOM 566 C LYS A 36 9.438 2.016 0.219 1.00 0.00 C ATOM 567 O LYS A 36 8.652 2.954 0.090 1.00 0.00 O ATOM 568 CB LYS A 36 9.933 0.438 -1.658 1.00 0.00 C ATOM 569 CG LYS A 36 8.475 0.525 -2.073 1.00 0.00 C ATOM 570 CD LYS A 36 8.237 1.674 -3.038 1.00 0.00 C ATOM 571 CE LYS A 36 8.743 1.343 -4.434 1.00 0.00 C ATOM 572 NZ LYS A 36 10.173 1.718 -4.609 1.00 0.00 N ATOM 0 H LYS A 36 12.024 0.438 -0.316 1.00 0.00 H new ATOM 0 HA LYS A 36 10.492 2.512 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.548 0.306 -2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.074 -0.448 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.172 -0.412 -2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.851 0.656 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.172 1.900 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.739 2.569 -2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.622 0.276 -4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.137 1.867 -5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.254 2.437 -5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.543 2.103 -3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.722 0.876 -4.877 1.00 0.00 H new ATOM 586 N ARG A 37 9.485 1.256 1.308 1.00 0.00 N ATOM 587 CA ARG A 37 8.594 1.486 2.439 1.00 0.00 C ATOM 588 C ARG A 37 8.651 2.943 2.888 1.00 0.00 C ATOM 589 O ARG A 37 7.666 3.488 3.388 1.00 0.00 O ATOM 590 CB ARG A 37 8.966 0.567 3.604 1.00 0.00 C ATOM 591 CG ARG A 37 7.808 0.278 4.546 1.00 0.00 C ATOM 592 CD ARG A 37 7.909 -1.119 5.139 1.00 0.00 C ATOM 593 NE ARG A 37 9.243 -1.396 5.663 1.00 0.00 N ATOM 594 CZ ARG A 37 9.711 -2.622 5.871 1.00 0.00 C ATOM 595 NH1 ARG A 37 8.956 -3.678 5.600 1.00 0.00 N ATOM 596 NH2 ARG A 37 10.936 -2.794 6.350 1.00 0.00 N ATOM 0 H ARG A 37 10.130 0.476 1.431 1.00 0.00 H new ATOM 0 HA ARG A 37 7.576 1.262 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.344 -0.375 3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.779 1.023 4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.797 1.015 5.349 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.866 0.379 4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.176 -1.227 5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.659 -1.856 4.376 1.00 0.00 H new ATOM 0 HE ARG A 37 9.849 -0.605 5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.014 -3.550 5.231 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.318 -4.618 5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.520 -1.984 6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.294 -3.736 6.509 1.00 0.00 H new ATOM 610 N ARG A 38 9.810 3.568 2.708 1.00 0.00 N ATOM 611 CA ARG A 38 9.996 4.961 3.096 1.00 0.00 C ATOM 612 C ARG A 38 9.325 5.898 2.096 1.00 0.00 C ATOM 613 O ARG A 38 8.764 6.927 2.472 1.00 0.00 O ATOM 614 CB ARG A 38 11.487 5.289 3.199 1.00 0.00 C ATOM 615 CG ARG A 38 12.182 4.607 4.365 1.00 0.00 C ATOM 616 CD ARG A 38 13.689 4.798 4.305 1.00 0.00 C ATOM 617 NE ARG A 38 14.317 4.612 5.610 1.00 0.00 N ATOM 618 CZ ARG A 38 15.625 4.456 5.780 1.00 0.00 C ATOM 619 NH1 ARG A 38 16.439 4.463 4.734 1.00 0.00 N ATOM 620 NH2 ARG A 38 16.122 4.292 7.000 1.00 0.00 N ATOM 0 H ARG A 38 10.635 3.131 2.296 1.00 0.00 H new ATOM 0 HA ARG A 38 9.531 5.106 4.071 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.980 4.996 2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.607 6.368 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.800 5.010 5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.949 3.542 4.357 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.116 4.091 3.593 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.913 5.798 3.934 1.00 0.00 H new ATOM 0 HE ARG A 38 13.719 4.601 6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.061 4.588 3.795 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.443 4.343 4.868 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.499 4.286 7.808 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.127 4.172 7.130 1.00 0.00 H new ATOM 634 N LYS A 39 9.388 5.535 0.819 1.00 0.00 N ATOM 635 CA LYS A 39 8.787 6.342 -0.236 1.00 0.00 C ATOM 636 C LYS A 39 7.264 6.293 -0.158 1.00 0.00 C ATOM 637 O LYS A 39 6.594 7.320 -0.270 1.00 0.00 O ATOM 638 CB LYS A 39 9.254 5.852 -1.609 1.00 0.00 C ATOM 639 CG LYS A 39 10.760 5.909 -1.795 1.00 0.00 C ATOM 640 CD LYS A 39 11.206 7.262 -2.324 1.00 0.00 C ATOM 641 CE LYS A 39 11.055 7.347 -3.835 1.00 0.00 C ATOM 642 NZ LYS A 39 10.982 8.757 -4.306 1.00 0.00 N ATOM 0 H LYS A 39 9.849 4.687 0.490 1.00 0.00 H new ATOM 0 HA LYS A 39 9.107 7.375 -0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.917 4.825 -1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.778 6.455 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.253 5.709 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.072 5.126 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.618 8.050 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.247 7.435 -2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.898 6.848 -4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.154 6.815 -4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.879 8.772 -5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.163 9.227 -3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.853 9.258 -4.037 1.00 0.00 H new ATOM 656 N ILE A 40 6.725 5.094 0.036 1.00 0.00 N ATOM 657 CA ILE A 40 5.281 4.912 0.131 1.00 0.00 C ATOM 658 C ILE A 40 4.709 5.675 1.321 1.00 0.00 C ATOM 659 O ILE A 40 3.591 6.187 1.264 1.00 0.00 O ATOM 660 CB ILE A 40 4.909 3.424 0.262 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.528 2.618 -0.881 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.396 3.256 0.277 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.342 1.124 -0.737 1.00 0.00 C ATOM 0 H ILE A 40 7.266 4.234 0.130 1.00 0.00 H new ATOM 0 HA ILE A 40 4.851 5.305 -0.790 1.00 0.00 H new ATOM 0 HB ILE A 40 5.307 3.047 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.087 2.942 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.594 2.840 -0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.148 2.199 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.978 3.803 1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.977 3.646 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.806 0.616 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.808 0.787 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.278 0.890 -0.713 1.00 0.00 H new ATOM 675 N SER A 41 5.484 5.748 2.398 1.00 0.00 N ATOM 676 CA SER A 41 5.054 6.447 3.604 1.00 0.00 C ATOM 677 C SER A 41 5.014 7.954 3.373 1.00 0.00 C ATOM 678 O SER A 41 4.267 8.675 4.034 1.00 0.00 O ATOM 679 CB SER A 41 5.991 6.123 4.769 1.00 0.00 C ATOM 680 OG SER A 41 6.098 7.221 5.658 1.00 0.00 O ATOM 0 H SER A 41 6.413 5.332 2.461 1.00 0.00 H new ATOM 0 HA SER A 41 4.048 6.108 3.851 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.620 5.251 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.978 5.864 4.385 1.00 0.00 H new ATOM 0 HG SER A 41 5.307 7.252 6.236 1.00 0.00 H new ATOM 686 N ALA A 42 5.824 8.424 2.429 1.00 0.00 N ATOM 687 CA ALA A 42 5.881 9.844 2.109 1.00 0.00 C ATOM 688 C ALA A 42 4.854 10.208 1.041 1.00 0.00 C ATOM 689 O ALA A 42 4.414 11.354 0.954 1.00 0.00 O ATOM 690 CB ALA A 42 7.280 10.226 1.650 1.00 0.00 C ATOM 0 H ALA A 42 6.450 7.841 1.873 1.00 0.00 H new ATOM 0 HA ALA A 42 5.641 10.404 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.308 11.290 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.995 10.012 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.541 9.651 0.762 1.00 0.00 H new ATOM 696 N ALA A 43 4.477 9.224 0.231 1.00 0.00 N ATOM 697 CA ALA A 43 3.501 9.441 -0.830 1.00 0.00 C ATOM 698 C ALA A 43 2.083 9.182 -0.333 1.00 0.00 C ATOM 699 O ALA A 43 1.118 9.738 -0.859 1.00 0.00 O ATOM 700 CB ALA A 43 3.814 8.551 -2.025 1.00 0.00 C ATOM 0 H ALA A 43 4.832 8.270 0.289 1.00 0.00 H new ATOM 0 HA ALA A 43 3.564 10.484 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.077 8.723 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.809 8.786 -2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.780 7.505 -1.719 1.00 0.00 H new ATOM 706 N THR A 44 1.963 8.334 0.684 1.00 0.00 N ATOM 707 CA THR A 44 0.663 8.000 1.251 1.00 0.00 C ATOM 708 C THR A 44 0.508 8.582 2.651 1.00 0.00 C ATOM 709 O THR A 44 -0.579 8.555 3.229 1.00 0.00 O ATOM 710 CB THR A 44 0.452 6.475 1.315 1.00 0.00 C ATOM 711 OG1 THR A 44 1.224 5.918 2.385 1.00 0.00 O ATOM 712 CG2 THR A 44 0.849 5.819 0.001 1.00 0.00 C ATOM 0 H THR A 44 2.751 7.866 1.132 1.00 0.00 H new ATOM 0 HA THR A 44 -0.089 8.436 0.594 1.00 0.00 H new ATOM 0 HB THR A 44 -0.606 6.283 1.494 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.121 5.694 2.059 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.692 4.743 0.070 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.239 6.224 -0.807 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.901 6.020 -0.203 1.00 0.00 H new ATOM 720 N SER A 45 1.602 9.108 3.193 1.00 0.00 N ATOM 721 CA SER A 45 1.588 9.694 4.528 1.00 0.00 C ATOM 722 C SER A 45 1.260 8.640 5.581 1.00 0.00 C ATOM 723 O SER A 45 0.613 8.931 6.588 1.00 0.00 O ATOM 724 CB SER A 45 0.570 10.834 4.597 1.00 0.00 C ATOM 725 OG SER A 45 0.637 11.649 3.440 1.00 0.00 O ATOM 0 H SER A 45 2.509 9.140 2.728 1.00 0.00 H new ATOM 0 HA SER A 45 2.582 10.091 4.734 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.434 10.423 4.698 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.757 11.440 5.484 1.00 0.00 H new ATOM 0 HG SER A 45 -0.025 12.369 3.508 1.00 0.00 H new ATOM 731 N LEU A 46 1.711 7.413 5.341 1.00 0.00 N ATOM 732 CA LEU A 46 1.466 6.313 6.267 1.00 0.00 C ATOM 733 C LEU A 46 2.742 5.936 7.013 1.00 0.00 C ATOM 734 O LEU A 46 3.799 6.527 6.794 1.00 0.00 O ATOM 735 CB LEU A 46 0.923 5.098 5.515 1.00 0.00 C ATOM 736 CG LEU A 46 -0.487 5.240 4.939 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.728 4.200 3.856 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.528 5.115 6.042 1.00 0.00 C ATOM 0 H LEU A 46 2.248 7.155 4.513 1.00 0.00 H new ATOM 0 HA LEU A 46 0.725 6.642 6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.606 4.867 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.933 4.243 6.191 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.578 6.229 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.736 4.316 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.003 4.336 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.618 3.202 4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.525 5.218 5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.437 4.139 6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.368 5.898 6.784 1.00 0.00 H new ATOM 750 N SER A 47 2.636 4.945 7.893 1.00 0.00 N ATOM 751 CA SER A 47 3.781 4.489 8.672 1.00 0.00 C ATOM 752 C SER A 47 4.385 3.227 8.062 1.00 0.00 C ATOM 753 O SER A 47 3.687 2.436 7.429 1.00 0.00 O ATOM 754 CB SER A 47 3.365 4.220 10.119 1.00 0.00 C ATOM 755 OG SER A 47 3.540 5.374 10.923 1.00 0.00 O ATOM 0 H SER A 47 1.769 4.443 8.084 1.00 0.00 H new ATOM 0 HA SER A 47 4.535 5.276 8.658 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.321 3.907 10.148 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.956 3.398 10.524 1.00 0.00 H new ATOM 0 HG SER A 47 3.265 5.177 11.843 1.00 0.00 H new ATOM 761 N GLU A 48 5.688 3.048 8.258 1.00 0.00 N ATOM 762 CA GLU A 48 6.387 1.884 7.727 1.00 0.00 C ATOM 763 C GLU A 48 5.676 0.594 8.126 1.00 0.00 C ATOM 764 O GLU A 48 5.560 -0.336 7.327 1.00 0.00 O ATOM 765 CB GLU A 48 7.833 1.858 8.227 1.00 0.00 C ATOM 766 CG GLU A 48 8.604 3.132 7.926 1.00 0.00 C ATOM 767 CD GLU A 48 10.040 3.073 8.410 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.597 1.957 8.478 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.606 4.141 8.721 1.00 0.00 O ATOM 0 H GLU A 48 6.280 3.694 8.780 1.00 0.00 H new ATOM 0 HA GLU A 48 6.387 1.957 6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.833 1.689 9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.351 1.014 7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.594 3.313 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.100 3.977 8.396 1.00 0.00 H new ATOM 776 N ARG A 49 5.202 0.545 9.366 1.00 0.00 N ATOM 777 CA ARG A 49 4.504 -0.631 9.872 1.00 0.00 C ATOM 778 C ARG A 49 3.142 -0.785 9.202 1.00 0.00 C ATOM 779 O ARG A 49 2.765 -1.880 8.786 1.00 0.00 O ATOM 780 CB ARG A 49 4.330 -0.533 11.389 1.00 0.00 C ATOM 781 CG ARG A 49 3.940 -1.849 12.043 1.00 0.00 C ATOM 782 CD ARG A 49 5.129 -2.791 12.151 1.00 0.00 C ATOM 783 NE ARG A 49 6.055 -2.385 13.205 1.00 0.00 N ATOM 784 CZ ARG A 49 7.184 -3.030 13.480 1.00 0.00 C ATOM 785 NH1 ARG A 49 7.525 -4.104 12.781 1.00 0.00 N ATOM 786 NH2 ARG A 49 7.975 -2.599 14.454 1.00 0.00 N ATOM 0 H ARG A 49 5.288 1.306 10.039 1.00 0.00 H new ATOM 0 HA ARG A 49 5.106 -1.509 9.638 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.261 -0.179 11.831 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.568 0.214 11.611 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.535 -1.657 13.037 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.149 -2.325 11.463 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.774 -3.802 12.350 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.656 -2.821 11.197 1.00 0.00 H new ATOM 0 HE ARG A 49 5.823 -1.562 13.760 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.920 -4.437 12.030 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.392 -4.597 12.994 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.717 -1.772 14.992 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.841 -3.095 14.664 1.00 0.00 H new ATOM 800 N GLN A 50 2.409 0.320 9.103 1.00 0.00 N ATOM 801 CA GLN A 50 1.089 0.306 8.485 1.00 0.00 C ATOM 802 C GLN A 50 1.156 -0.256 7.069 1.00 0.00 C ATOM 803 O GLN A 50 0.409 -1.169 6.717 1.00 0.00 O ATOM 804 CB GLN A 50 0.500 1.718 8.458 1.00 0.00 C ATOM 805 CG GLN A 50 -0.032 2.181 9.805 1.00 0.00 C ATOM 806 CD GLN A 50 -1.220 3.113 9.674 1.00 0.00 C ATOM 807 OE1 GLN A 50 -1.133 4.297 10.001 1.00 0.00 O ATOM 808 NE2 GLN A 50 -2.339 2.584 9.193 1.00 0.00 N ATOM 0 H GLN A 50 2.707 1.235 9.442 1.00 0.00 H new ATOM 0 HA GLN A 50 0.444 -0.338 9.082 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.266 2.416 8.120 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.307 1.752 7.727 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.321 1.312 10.396 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.764 2.688 10.351 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.367 1.598 8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.171 3.164 9.082 1.00 0.00 H new ATOM 817 N ILE A 51 2.055 0.296 6.261 1.00 0.00 N ATOM 818 CA ILE A 51 2.220 -0.151 4.883 1.00 0.00 C ATOM 819 C ILE A 51 2.567 -1.635 4.825 1.00 0.00 C ATOM 820 O ILE A 51 2.236 -2.324 3.859 1.00 0.00 O ATOM 821 CB ILE A 51 3.318 0.650 4.159 1.00 0.00 C ATOM 822 CG1 ILE A 51 2.990 2.144 4.183 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.474 0.160 2.727 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.171 3.028 3.849 1.00 0.00 C ATOM 0 H ILE A 51 2.680 1.053 6.537 1.00 0.00 H new ATOM 0 HA ILE A 51 1.268 0.017 4.380 1.00 0.00 H new ATOM 0 HB ILE A 51 4.263 0.496 4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.186 2.343 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.616 2.410 5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.254 0.736 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.748 -0.895 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.532 0.288 2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.865 4.073 3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.969 2.858 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.532 2.790 2.848 1.00 0.00 H new ATOM 836 N THR A 52 3.235 -2.123 5.866 1.00 0.00 N ATOM 837 CA THR A 52 3.626 -3.525 5.934 1.00 0.00 C ATOM 838 C THR A 52 2.426 -4.417 6.233 1.00 0.00 C ATOM 839 O THR A 52 2.175 -5.392 5.524 1.00 0.00 O ATOM 840 CB THR A 52 4.703 -3.756 7.011 1.00 0.00 C ATOM 841 OG1 THR A 52 5.810 -2.873 6.794 1.00 0.00 O ATOM 842 CG2 THR A 52 5.187 -5.198 6.992 1.00 0.00 C ATOM 0 H THR A 52 3.516 -1.567 6.674 1.00 0.00 H new ATOM 0 HA THR A 52 4.036 -3.786 4.958 1.00 0.00 H new ATOM 0 HB THR A 52 4.260 -3.551 7.986 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.632 -2.012 7.227 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.947 -5.337 7.761 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.348 -5.866 7.186 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.613 -5.426 6.015 1.00 0.00 H new ATOM 850 N ILE A 53 1.688 -4.076 7.284 1.00 0.00 N ATOM 851 CA ILE A 53 0.513 -4.845 7.674 1.00 0.00 C ATOM 852 C ILE A 53 -0.429 -5.047 6.492 1.00 0.00 C ATOM 853 O ILE A 53 -0.911 -6.154 6.251 1.00 0.00 O ATOM 854 CB ILE A 53 -0.256 -4.158 8.818 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.654 -3.973 10.034 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.488 -4.969 9.189 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.149 -2.937 11.014 1.00 0.00 C ATOM 0 H ILE A 53 1.883 -3.272 7.881 1.00 0.00 H new ATOM 0 HA ILE A 53 0.871 -5.815 8.020 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.581 -3.175 8.479 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.758 -4.928 10.549 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.648 -3.685 9.693 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.021 -4.471 9.999 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.143 -5.054 8.322 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.184 -5.964 9.513 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.843 -2.859 11.851 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.072 -1.971 10.515 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.832 -3.234 11.384 1.00 0.00 H new ATOM 869 N TRP A 54 -0.686 -3.971 5.757 1.00 0.00 N ATOM 870 CA TRP A 54 -1.569 -4.030 4.598 1.00 0.00 C ATOM 871 C TRP A 54 -1.056 -5.035 3.573 1.00 0.00 C ATOM 872 O TRP A 54 -1.821 -5.840 3.042 1.00 0.00 O ATOM 873 CB TRP A 54 -1.696 -2.647 3.957 1.00 0.00 C ATOM 874 CG TRP A 54 -2.777 -2.570 2.922 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.101 -2.311 3.138 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.627 -2.754 1.510 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.783 -2.323 1.945 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.901 -2.592 0.931 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.541 -3.038 0.678 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.116 -2.706 -0.440 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.755 -3.151 -0.682 1.00 0.00 C ATOM 882 CH2 TRP A 54 -3.034 -2.985 -1.230 1.00 0.00 C ATOM 0 H TRP A 54 -0.295 -3.047 5.943 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.552 -4.357 4.937 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.895 -1.910 4.735 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.744 -2.378 3.499 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.546 -2.124 4.104 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.783 -2.158 1.832 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.551 -3.167 1.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.101 -2.579 -0.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.923 -3.371 -1.334 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.169 -3.079 -2.297 1.00 0.00 H new ATOM 893 N PHE A 55 0.243 -4.983 3.299 1.00 0.00 N ATOM 894 CA PHE A 55 0.859 -5.889 2.336 1.00 0.00 C ATOM 895 C PHE A 55 0.722 -7.339 2.790 1.00 0.00 C ATOM 896 O PHE A 55 0.647 -8.252 1.968 1.00 0.00 O ATOM 897 CB PHE A 55 2.336 -5.539 2.147 1.00 0.00 C ATOM 898 CG PHE A 55 2.590 -4.615 0.991 1.00 0.00 C ATOM 899 CD1 PHE A 55 2.044 -3.342 0.971 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.376 -5.020 -0.077 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.275 -2.490 -0.092 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.611 -4.172 -1.143 1.00 0.00 C ATOM 903 CZ PHE A 55 3.061 -2.905 -1.150 1.00 0.00 C ATOM 0 H PHE A 55 0.890 -4.323 3.730 1.00 0.00 H new ATOM 0 HA PHE A 55 0.341 -5.774 1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.711 -5.077 3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.903 -6.458 1.998 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.430 -3.012 1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.810 -6.009 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.842 -1.501 -0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.224 -4.500 -1.970 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.245 -2.240 -1.981 1.00 0.00 H new ATOM 913 N GLN A 56 0.690 -7.542 4.103 1.00 0.00 N ATOM 914 CA GLN A 56 0.563 -8.881 4.666 1.00 0.00 C ATOM 915 C GLN A 56 -0.869 -9.390 4.544 1.00 0.00 C ATOM 916 O GLN A 56 -1.111 -10.469 4.006 1.00 0.00 O ATOM 917 CB GLN A 56 0.995 -8.883 6.134 1.00 0.00 C ATOM 918 CG GLN A 56 2.502 -8.931 6.325 1.00 0.00 C ATOM 919 CD GLN A 56 3.096 -10.274 5.949 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.377 -11.263 5.797 1.00 0.00 O ATOM 921 NE2 GLN A 56 4.414 -10.318 5.798 1.00 0.00 N ATOM 0 H GLN A 56 0.750 -6.797 4.797 1.00 0.00 H new ATOM 0 HA GLN A 56 1.215 -9.548 4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.604 -7.989 6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.546 -9.741 6.635 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.966 -8.151 5.721 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.740 -8.712 7.366 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.971 -9.475 5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.869 -11.195 5.546 1.00 0.00 H new ATOM 930 N ASN A 57 -1.816 -8.604 5.048 1.00 0.00 N ATOM 931 CA ASN A 57 -3.225 -8.976 4.996 1.00 0.00 C ATOM 932 C ASN A 57 -3.669 -9.227 3.558 1.00 0.00 C ATOM 933 O ASN A 57 -4.522 -10.077 3.301 1.00 0.00 O ATOM 934 CB ASN A 57 -4.087 -7.879 5.624 1.00 0.00 C ATOM 935 CG ASN A 57 -4.259 -8.063 7.119 1.00 0.00 C ATOM 936 OD1 ASN A 57 -4.715 -9.110 7.578 1.00 0.00 O ATOM 937 ND2 ASN A 57 -3.894 -7.042 7.886 1.00 0.00 N ATOM 0 H ASN A 57 -1.633 -7.706 5.497 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.353 -9.898 5.563 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.632 -6.908 5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.067 -7.873 5.146 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.987 -7.107 8.900 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.521 -6.193 7.461 1.00 0.00 H new ATOM 944 N ARG A 58 -3.084 -8.483 2.626 1.00 0.00 N ATOM 945 CA ARG A 58 -3.419 -8.624 1.214 1.00 0.00 C ATOM 946 C ARG A 58 -3.185 -10.055 0.740 1.00 0.00 C ATOM 947 O ARG A 58 -4.021 -10.635 0.047 1.00 0.00 O ATOM 948 CB ARG A 58 -2.589 -7.654 0.371 1.00 0.00 C ATOM 949 CG ARG A 58 -3.315 -7.145 -0.863 1.00 0.00 C ATOM 950 CD ARG A 58 -4.519 -6.294 -0.491 1.00 0.00 C ATOM 951 NE ARG A 58 -5.088 -5.613 -1.651 1.00 0.00 N ATOM 952 CZ ARG A 58 -6.267 -5.000 -1.638 1.00 0.00 C ATOM 953 NH1 ARG A 58 -6.997 -4.983 -0.531 1.00 0.00 N ATOM 954 NH2 ARG A 58 -6.717 -4.403 -2.734 1.00 0.00 N ATOM 0 H ARG A 58 -2.375 -7.776 2.823 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.476 -8.387 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.301 -6.804 0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.669 -8.150 0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.629 -6.559 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.639 -7.990 -1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.280 -6.924 -0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.224 -5.555 0.254 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.551 -5.608 -2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.654 -5.441 0.313 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.902 -4.512 -0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.158 -4.414 -3.587 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.622 -3.933 -2.724 1.00 0.00 H new ATOM 968 N ARG A 59 -2.042 -10.618 1.118 1.00 0.00 N ATOM 969 CA ARG A 59 -1.697 -11.981 0.730 1.00 0.00 C ATOM 970 C ARG A 59 -2.370 -12.995 1.650 1.00 0.00 C ATOM 971 O ARG A 59 -2.993 -13.951 1.188 1.00 0.00 O ATOM 972 CB ARG A 59 -0.180 -12.174 0.763 1.00 0.00 C ATOM 973 CG ARG A 59 0.499 -11.894 -0.568 1.00 0.00 C ATOM 974 CD ARG A 59 1.998 -11.705 -0.400 1.00 0.00 C ATOM 975 NE ARG A 59 2.764 -12.668 -1.187 1.00 0.00 N ATOM 976 CZ ARG A 59 2.958 -13.929 -0.818 1.00 0.00 C ATOM 977 NH1 ARG A 59 2.446 -14.377 0.320 1.00 0.00 N ATOM 978 NH2 ARG A 59 3.666 -14.745 -1.588 1.00 0.00 N ATOM 0 H ARG A 59 -1.339 -10.152 1.692 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.055 -12.145 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.245 -11.518 1.523 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.041 -13.198 1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.310 -12.719 -1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.067 -11.000 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.271 -10.693 -0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.260 -11.807 0.653 1.00 0.00 H new ATOM 0 HE ARG A 59 3.172 -12.355 -2.068 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.901 -13.753 0.915 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.597 -15.346 0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.062 -14.404 -2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.815 -15.713 -1.304 1.00 0.00 H new ATOM 992 N VAL A 60 -2.239 -12.780 2.956 1.00 0.00 N ATOM 993 CA VAL A 60 -2.834 -13.675 3.941 1.00 0.00 C ATOM 994 C VAL A 60 -4.337 -13.812 3.721 1.00 0.00 C ATOM 995 O VAL A 60 -4.942 -14.814 4.104 1.00 0.00 O ATOM 996 CB VAL A 60 -2.580 -13.177 5.376 1.00 0.00 C ATOM 997 CG1 VAL A 60 -3.116 -14.176 6.390 1.00 0.00 C ATOM 998 CG2 VAL A 60 -1.096 -12.926 5.597 1.00 0.00 C ATOM 0 H VAL A 60 -1.726 -11.994 3.356 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.360 -14.648 3.813 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.110 -12.235 5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.928 -13.807 7.398 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.189 -14.302 6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.616 -15.135 6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.934 -12.575 6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.543 -13.852 5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.746 -12.171 4.893 1.00 0.00 H new