USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 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= 0.0115 USER MOD Set 1.2: A 50 GLN : amide:sc= 0.00554 X(o=0.017,f=0.17) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.61 K(o=0.61,f=-7.3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -3.09 K(o=-3.1,f=-7.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.393 USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.171) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 81:sc= 1.23 USER MOD Single : A 44 THR OG1 : rot -60:sc= -1.25! 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= 0.325 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 177 N PRO A 13 -10.145 1.707 6.158 1.00 0.00 N ATOM 178 CA PRO A 13 -9.305 2.909 6.152 1.00 0.00 C ATOM 179 C PRO A 13 -8.541 3.076 4.843 1.00 0.00 C ATOM 180 O PRO A 13 -8.794 2.365 3.870 1.00 0.00 O ATOM 181 CB PRO A 13 -8.334 2.669 7.311 1.00 0.00 C ATOM 182 CG PRO A 13 -8.257 1.187 7.440 1.00 0.00 C ATOM 183 CD PRO A 13 -9.518 0.595 6.892 1.00 0.00 C ATOM 0 HA PRO A 13 -9.896 3.819 6.254 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.355 3.100 7.103 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.695 3.128 8.231 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.392 0.804 6.898 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.129 0.904 8.485 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.310 -0.250 6.235 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.165 0.227 7.688 1.00 0.00 H new ATOM 191 N TYR A 14 -7.605 4.018 4.826 1.00 0.00 N ATOM 192 CA TYR A 14 -6.806 4.279 3.635 1.00 0.00 C ATOM 193 C TYR A 14 -7.681 4.779 2.490 1.00 0.00 C ATOM 194 O TYR A 14 -8.483 4.029 1.933 1.00 0.00 O ATOM 195 CB TYR A 14 -6.061 3.014 3.207 1.00 0.00 C ATOM 196 CG TYR A 14 -5.315 2.340 4.336 1.00 0.00 C ATOM 197 CD1 TYR A 14 -4.213 2.946 4.927 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.712 1.096 4.813 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.528 2.333 5.958 1.00 0.00 C ATOM 200 CE2 TYR A 14 -5.034 0.477 5.845 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.942 1.099 6.414 1.00 0.00 C ATOM 202 OH TYR A 14 -3.263 0.486 7.442 1.00 0.00 O ATOM 0 H TYR A 14 -7.381 4.613 5.623 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.080 5.055 3.879 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.775 2.308 2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.355 3.268 2.417 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.886 3.913 4.574 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.565 0.605 4.369 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.672 2.818 6.405 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.357 -0.489 6.205 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.683 -0.376 7.644 1.00 0.00 H new ATOM 212 N SER A 15 -7.520 6.052 2.143 1.00 0.00 N ATOM 213 CA SER A 15 -8.296 6.655 1.066 1.00 0.00 C ATOM 214 C SER A 15 -7.829 6.144 -0.293 1.00 0.00 C ATOM 215 O SER A 15 -6.781 5.507 -0.404 1.00 0.00 O ATOM 216 CB SER A 15 -8.181 8.180 1.117 1.00 0.00 C ATOM 217 OG SER A 15 -8.966 8.716 2.168 1.00 0.00 O ATOM 0 H SER A 15 -6.859 6.686 2.592 1.00 0.00 H new ATOM 0 HA SER A 15 -9.340 6.372 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.138 8.465 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.503 8.604 0.166 1.00 0.00 H new ATOM 0 HG SER A 15 -8.874 9.692 2.180 1.00 0.00 H new ATOM 223 N LYS A 16 -8.615 6.427 -1.327 1.00 0.00 N ATOM 224 CA LYS A 16 -8.284 5.998 -2.680 1.00 0.00 C ATOM 225 C LYS A 16 -6.893 6.481 -3.079 1.00 0.00 C ATOM 226 O LYS A 16 -6.195 5.824 -3.850 1.00 0.00 O ATOM 227 CB LYS A 16 -9.323 6.525 -3.673 1.00 0.00 C ATOM 228 CG LYS A 16 -10.727 6.007 -3.416 1.00 0.00 C ATOM 229 CD LYS A 16 -11.754 6.732 -4.270 1.00 0.00 C ATOM 230 CE LYS A 16 -11.915 8.181 -3.839 1.00 0.00 C ATOM 231 NZ LYS A 16 -13.242 8.732 -4.229 1.00 0.00 N ATOM 0 H LYS A 16 -9.486 6.952 -1.253 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.291 4.908 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.333 7.614 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.022 6.247 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.766 4.938 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.975 6.133 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.450 6.694 -5.316 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.714 6.221 -4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.795 8.254 -2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.125 8.783 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.312 9.722 -3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.347 8.686 -5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.995 8.173 -3.780 1.00 0.00 H new ATOM 245 N GLY A 17 -6.496 7.633 -2.548 1.00 0.00 N ATOM 246 CA GLY A 17 -5.190 8.183 -2.859 1.00 0.00 C ATOM 247 C GLY A 17 -4.066 7.426 -2.182 1.00 0.00 C ATOM 248 O GLY A 17 -2.961 7.334 -2.717 1.00 0.00 O ATOM 0 H GLY A 17 -7.056 8.196 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.039 8.163 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.157 9.228 -2.551 1.00 0.00 H new ATOM 252 N GLN A 18 -4.346 6.883 -1.002 1.00 0.00 N ATOM 253 CA GLN A 18 -3.348 6.131 -0.250 1.00 0.00 C ATOM 254 C GLN A 18 -3.251 4.697 -0.758 1.00 0.00 C ATOM 255 O GLN A 18 -2.155 4.164 -0.940 1.00 0.00 O ATOM 256 CB GLN A 18 -3.692 6.135 1.240 1.00 0.00 C ATOM 257 CG GLN A 18 -3.731 7.527 1.852 1.00 0.00 C ATOM 258 CD GLN A 18 -4.261 7.525 3.272 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.436 7.244 3.509 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.394 7.839 4.228 1.00 0.00 N ATOM 0 H GLN A 18 -5.256 6.950 -0.546 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.381 6.614 -0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.662 5.658 1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.958 5.532 1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.727 7.952 1.843 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.356 8.173 1.236 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.429 8.065 3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.693 7.854 5.203 1.00 0.00 H new ATOM 269 N LEU A 19 -4.403 4.075 -0.984 1.00 0.00 N ATOM 270 CA LEU A 19 -4.448 2.700 -1.471 1.00 0.00 C ATOM 271 C LEU A 19 -3.946 2.615 -2.909 1.00 0.00 C ATOM 272 O LEU A 19 -3.493 1.562 -3.357 1.00 0.00 O ATOM 273 CB LEU A 19 -5.873 2.154 -1.383 1.00 0.00 C ATOM 274 CG LEU A 19 -6.484 2.095 0.018 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.999 1.988 -0.064 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.907 0.925 0.802 1.00 0.00 C ATOM 0 H LEU A 19 -5.318 4.501 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.795 2.096 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.516 2.769 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.882 1.149 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.233 3.017 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.416 1.947 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.397 2.858 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.271 1.082 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.353 0.898 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.127 -0.006 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.827 1.044 0.892 1.00 0.00 H new ATOM 288 N ARG A 20 -4.029 3.731 -3.626 1.00 0.00 N ATOM 289 CA ARG A 20 -3.583 3.783 -5.013 1.00 0.00 C ATOM 290 C ARG A 20 -2.110 3.400 -5.125 1.00 0.00 C ATOM 291 O ARG A 20 -1.706 2.720 -6.067 1.00 0.00 O ATOM 292 CB ARG A 20 -3.803 5.183 -5.590 1.00 0.00 C ATOM 293 CG ARG A 20 -3.178 5.381 -6.961 1.00 0.00 C ATOM 294 CD ARG A 20 -3.357 6.809 -7.453 1.00 0.00 C ATOM 295 NE ARG A 20 -4.527 6.948 -8.315 1.00 0.00 N ATOM 296 CZ ARG A 20 -4.554 6.562 -9.586 1.00 0.00 C ATOM 297 NH1 ARG A 20 -3.481 6.015 -10.139 1.00 0.00 N ATOM 298 NH2 ARG A 20 -5.657 6.722 -10.306 1.00 0.00 N ATOM 0 H ARG A 20 -4.401 4.611 -3.269 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.172 3.066 -5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.874 5.375 -5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.389 5.920 -4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.116 5.141 -6.916 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.631 4.690 -7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.455 7.477 -6.598 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.466 7.119 -7.999 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.370 7.364 -7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.631 5.889 -9.589 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.505 5.720 -11.115 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.485 7.142 -9.884 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.677 6.425 -11.282 1.00 0.00 H new ATOM 312 N GLU A 21 -1.314 3.844 -4.158 1.00 0.00 N ATOM 313 CA GLU A 21 0.114 3.548 -4.149 1.00 0.00 C ATOM 314 C GLU A 21 0.380 2.164 -3.565 1.00 0.00 C ATOM 315 O GLU A 21 1.266 1.443 -4.026 1.00 0.00 O ATOM 316 CB GLU A 21 0.872 4.607 -3.345 1.00 0.00 C ATOM 317 CG GLU A 21 0.699 6.018 -3.883 1.00 0.00 C ATOM 318 CD GLU A 21 0.991 6.116 -5.368 1.00 0.00 C ATOM 319 OE1 GLU A 21 2.011 5.547 -5.810 1.00 0.00 O ATOM 320 OE2 GLU A 21 0.201 6.762 -6.087 1.00 0.00 O ATOM 0 H GLU A 21 -1.633 4.409 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 21 0.468 3.562 -5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.532 4.578 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.933 4.357 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.321 6.352 -3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.361 6.693 -3.341 1.00 0.00 H new ATOM 327 N LEU A 22 -0.392 1.799 -2.548 1.00 0.00 N ATOM 328 CA LEU A 22 -0.241 0.502 -1.899 1.00 0.00 C ATOM 329 C LEU A 22 -0.551 -0.632 -2.871 1.00 0.00 C ATOM 330 O LEU A 22 0.235 -1.567 -3.019 1.00 0.00 O ATOM 331 CB LEU A 22 -1.160 0.409 -0.679 1.00 0.00 C ATOM 332 CG LEU A 22 -0.789 1.296 0.510 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.918 1.325 1.527 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.501 0.811 1.155 1.00 0.00 C ATOM 0 H LEU A 22 -1.130 2.384 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 22 0.795 0.405 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.173 0.661 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.179 -0.627 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.630 2.311 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.636 1.961 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.819 1.721 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.110 0.314 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.750 1.454 1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.370 -0.213 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.308 0.844 0.423 1.00 0.00 H new ATOM 346 N GLU A 23 -1.701 -0.541 -3.531 1.00 0.00 N ATOM 347 CA GLU A 23 -2.114 -1.560 -4.490 1.00 0.00 C ATOM 348 C GLU A 23 -1.145 -1.621 -5.668 1.00 0.00 C ATOM 349 O GLU A 23 -0.838 -2.700 -6.176 1.00 0.00 O ATOM 350 CB GLU A 23 -3.530 -1.274 -4.994 1.00 0.00 C ATOM 351 CG GLU A 23 -4.592 -1.369 -3.912 1.00 0.00 C ATOM 352 CD GLU A 23 -5.958 -0.921 -4.394 1.00 0.00 C ATOM 353 OE1 GLU A 23 -6.035 -0.321 -5.486 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.950 -1.172 -3.678 1.00 0.00 O ATOM 0 H GLU A 23 -2.363 0.227 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.105 -2.525 -3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.556 -0.276 -5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.772 -1.977 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.655 -2.398 -3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.293 -0.758 -3.060 1.00 0.00 H new ATOM 361 N ARG A 24 -0.669 -0.457 -6.097 1.00 0.00 N ATOM 362 CA ARG A 24 0.262 -0.378 -7.216 1.00 0.00 C ATOM 363 C ARG A 24 1.546 -1.144 -6.910 1.00 0.00 C ATOM 364 O ARG A 24 1.898 -2.089 -7.615 1.00 0.00 O ATOM 365 CB ARG A 24 0.590 1.082 -7.531 1.00 0.00 C ATOM 366 CG ARG A 24 1.734 1.250 -8.518 1.00 0.00 C ATOM 367 CD ARG A 24 1.453 2.366 -9.512 1.00 0.00 C ATOM 368 NE ARG A 24 2.435 2.397 -10.592 1.00 0.00 N ATOM 369 CZ ARG A 24 2.415 1.566 -11.628 1.00 0.00 C ATOM 370 NH1 ARG A 24 1.467 0.644 -11.724 1.00 0.00 N ATOM 371 NH2 ARG A 24 3.344 1.657 -12.572 1.00 0.00 N ATOM 0 H ARG A 24 -0.913 0.444 -5.687 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.214 -0.833 -8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.300 1.567 -7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.842 1.597 -6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.654 1.467 -7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.893 0.315 -9.055 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.456 2.234 -9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.456 3.324 -8.992 1.00 0.00 H new ATOM 0 HE ARG A 24 3.177 3.095 -10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.751 0.572 -11.001 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.454 0.007 -12.521 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.074 2.366 -12.502 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.327 1.018 -13.367 1.00 0.00 H new ATOM 385 N GLU A 25 2.239 -0.730 -5.854 1.00 0.00 N ATOM 386 CA GLU A 25 3.484 -1.377 -5.457 1.00 0.00 C ATOM 387 C GLU A 25 3.289 -2.882 -5.300 1.00 0.00 C ATOM 388 O GLU A 25 4.160 -3.673 -5.662 1.00 0.00 O ATOM 389 CB GLU A 25 3.999 -0.779 -4.146 1.00 0.00 C ATOM 390 CG GLU A 25 5.006 0.342 -4.342 1.00 0.00 C ATOM 391 CD GLU A 25 4.609 1.294 -5.454 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.936 1.008 -6.625 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.972 2.324 -5.153 1.00 0.00 O ATOM 0 H GLU A 25 1.960 0.050 -5.259 1.00 0.00 H new ATOM 0 HA GLU A 25 4.220 -1.204 -6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.153 -0.400 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.459 -1.569 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.110 0.899 -3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.982 -0.087 -4.567 1.00 0.00 H new ATOM 400 N TYR A 26 2.140 -3.270 -4.758 1.00 0.00 N ATOM 401 CA TYR A 26 1.830 -4.680 -4.550 1.00 0.00 C ATOM 402 C TYR A 26 1.908 -5.454 -5.863 1.00 0.00 C ATOM 403 O TYR A 26 2.511 -6.524 -5.931 1.00 0.00 O ATOM 404 CB TYR A 26 0.438 -4.833 -3.937 1.00 0.00 C ATOM 405 CG TYR A 26 0.053 -6.269 -3.659 1.00 0.00 C ATOM 406 CD1 TYR A 26 0.749 -7.028 -2.727 1.00 0.00 C ATOM 407 CD2 TYR A 26 -1.008 -6.866 -4.329 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.401 -8.340 -2.471 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.364 -8.177 -4.079 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.656 -8.910 -3.149 1.00 0.00 C ATOM 411 OH TYR A 26 -1.007 -10.216 -2.896 1.00 0.00 O ATOM 0 H TYR A 26 1.408 -2.628 -4.455 1.00 0.00 H new ATOM 0 HA TYR A 26 2.569 -5.091 -3.862 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.396 -4.268 -3.006 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.297 -4.393 -4.611 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.577 -6.585 -2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.564 -6.295 -5.058 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.954 -8.916 -1.744 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.192 -8.626 -4.608 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.772 -10.463 -3.456 1.00 0.00 H new ATOM 421 N ALA A 27 1.292 -4.903 -6.904 1.00 0.00 N ATOM 422 CA ALA A 27 1.293 -5.539 -8.216 1.00 0.00 C ATOM 423 C ALA A 27 2.711 -5.677 -8.758 1.00 0.00 C ATOM 424 O ALA A 27 2.997 -6.569 -9.556 1.00 0.00 O ATOM 425 CB ALA A 27 0.429 -4.747 -9.186 1.00 0.00 C ATOM 0 H ALA A 27 0.786 -4.018 -6.864 1.00 0.00 H new ATOM 0 HA ALA A 27 0.875 -6.540 -8.108 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.439 -5.233 -10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.594 -4.705 -8.811 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.822 -3.735 -9.281 1.00 0.00 H new ATOM 431 N ALA A 28 3.596 -4.787 -8.321 1.00 0.00 N ATOM 432 CA ALA A 28 4.985 -4.811 -8.762 1.00 0.00 C ATOM 433 C ALA A 28 5.813 -5.773 -7.916 1.00 0.00 C ATOM 434 O ALA A 28 6.791 -6.349 -8.392 1.00 0.00 O ATOM 435 CB ALA A 28 5.580 -3.412 -8.708 1.00 0.00 C ATOM 0 H ALA A 28 3.376 -4.040 -7.662 1.00 0.00 H new ATOM 0 HA ALA A 28 5.007 -5.164 -9.793 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.618 -3.445 -9.040 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.011 -2.749 -9.360 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.538 -3.038 -7.685 1.00 0.00 H new ATOM 441 N ASN A 29 5.416 -5.942 -6.659 1.00 0.00 N ATOM 442 CA ASN A 29 6.122 -6.833 -5.747 1.00 0.00 C ATOM 443 C ASN A 29 5.332 -7.030 -4.457 1.00 0.00 C ATOM 444 O ASN A 29 5.188 -6.105 -3.657 1.00 0.00 O ATOM 445 CB ASN A 29 7.511 -6.275 -5.428 1.00 0.00 C ATOM 446 CG ASN A 29 7.453 -4.862 -4.881 1.00 0.00 C ATOM 447 OD1 ASN A 29 7.570 -4.646 -3.674 1.00 0.00 O ATOM 448 ND2 ASN A 29 7.272 -3.891 -5.768 1.00 0.00 N ATOM 0 H ASN A 29 4.608 -5.473 -6.249 1.00 0.00 H new ATOM 0 HA ASN A 29 6.230 -7.801 -6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.002 -6.923 -4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.121 -6.288 -6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.225 -2.920 -5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.180 -4.116 -6.759 1.00 0.00 H new ATOM 455 N LYS A 30 4.822 -8.241 -4.260 1.00 0.00 N ATOM 456 CA LYS A 30 4.048 -8.561 -3.067 1.00 0.00 C ATOM 457 C LYS A 30 4.811 -8.175 -1.804 1.00 0.00 C ATOM 458 O LYS A 30 4.212 -7.796 -0.797 1.00 0.00 O ATOM 459 CB LYS A 30 3.713 -10.054 -3.037 1.00 0.00 C ATOM 460 CG LYS A 30 4.932 -10.953 -3.149 1.00 0.00 C ATOM 461 CD LYS A 30 4.548 -12.364 -3.564 1.00 0.00 C ATOM 462 CE LYS A 30 4.498 -12.505 -5.078 1.00 0.00 C ATOM 463 NZ LYS A 30 4.154 -13.893 -5.494 1.00 0.00 N ATOM 0 H LYS A 30 4.931 -9.018 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 30 3.122 -7.987 -3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.188 -10.281 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.028 -10.281 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.628 -10.535 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.452 -10.983 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.267 -13.073 -3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.576 -12.617 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.762 -11.811 -5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.464 -12.228 -5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.130 -13.948 -6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.870 -14.553 -5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.221 -14.149 -5.112 1.00 0.00 H new ATOM 477 N PHE A 31 6.135 -8.272 -1.864 1.00 0.00 N ATOM 478 CA PHE A 31 6.979 -7.933 -0.725 1.00 0.00 C ATOM 479 C PHE A 31 7.957 -6.818 -1.086 1.00 0.00 C ATOM 480 O PHE A 31 8.867 -7.013 -1.892 1.00 0.00 O ATOM 481 CB PHE A 31 7.749 -9.166 -0.248 1.00 0.00 C ATOM 482 CG PHE A 31 7.019 -9.961 0.797 1.00 0.00 C ATOM 483 CD1 PHE A 31 5.726 -10.404 0.571 1.00 0.00 C ATOM 484 CD2 PHE A 31 7.625 -10.264 2.005 1.00 0.00 C ATOM 485 CE1 PHE A 31 5.051 -11.135 1.531 1.00 0.00 C ATOM 486 CE2 PHE A 31 6.956 -10.995 2.969 1.00 0.00 C ATOM 487 CZ PHE A 31 5.668 -11.432 2.731 1.00 0.00 C ATOM 0 H PHE A 31 6.647 -8.583 -2.690 1.00 0.00 H new ATOM 0 HA PHE A 31 6.334 -7.582 0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.956 -9.809 -1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.712 -8.850 0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.240 -10.176 -0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.632 -9.925 2.196 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.043 -11.473 1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.440 -11.224 3.907 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.144 -12.005 3.482 1.00 0.00 H new ATOM 497 N ILE A 32 7.761 -5.650 -0.484 1.00 0.00 N ATOM 498 CA ILE A 32 8.624 -4.504 -0.741 1.00 0.00 C ATOM 499 C ILE A 32 9.909 -4.590 0.076 1.00 0.00 C ATOM 500 O ILE A 32 10.107 -5.530 0.846 1.00 0.00 O ATOM 501 CB ILE A 32 7.911 -3.178 -0.418 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.650 -3.067 1.086 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.608 -3.073 -1.196 1.00 0.00 C ATOM 504 CD1 ILE A 32 6.966 -1.779 1.487 1.00 0.00 C ATOM 0 H ILE A 32 7.012 -5.472 0.185 1.00 0.00 H new ATOM 0 HA ILE A 32 8.869 -4.525 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 32 8.557 -2.353 -0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.035 -3.909 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.598 -3.146 1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.116 -2.130 -0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.818 -3.111 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.955 -3.902 -0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.813 -1.769 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.589 -0.932 1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.002 -1.707 0.983 1.00 0.00 H new ATOM 516 N THR A 33 10.780 -3.600 -0.094 1.00 0.00 N ATOM 517 CA THR A 33 12.045 -3.562 0.627 1.00 0.00 C ATOM 518 C THR A 33 12.008 -2.531 1.749 1.00 0.00 C ATOM 519 O THR A 33 11.010 -1.835 1.934 1.00 0.00 O ATOM 520 CB THR A 33 13.220 -3.237 -0.315 1.00 0.00 C ATOM 521 OG1 THR A 33 13.301 -1.823 -0.527 1.00 0.00 O ATOM 522 CG2 THR A 33 13.055 -3.947 -1.650 1.00 0.00 C ATOM 0 H THR A 33 10.631 -2.813 -0.726 1.00 0.00 H new ATOM 0 HA THR A 33 12.195 -4.554 1.053 1.00 0.00 H new ATOM 0 HB THR A 33 14.140 -3.587 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.051 -1.624 -1.125 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.896 -3.703 -2.299 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.023 -5.024 -1.488 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.127 -3.624 -2.122 1.00 0.00 H new ATOM 530 N LYS A 34 13.103 -2.436 2.496 1.00 0.00 N ATOM 531 CA LYS A 34 13.197 -1.488 3.600 1.00 0.00 C ATOM 532 C LYS A 34 13.197 -0.052 3.085 1.00 0.00 C ATOM 533 O LYS A 34 12.837 0.876 3.809 1.00 0.00 O ATOM 534 CB LYS A 34 14.466 -1.748 4.416 1.00 0.00 C ATOM 535 CG LYS A 34 14.253 -2.690 5.588 1.00 0.00 C ATOM 536 CD LYS A 34 15.293 -2.473 6.674 1.00 0.00 C ATOM 537 CE LYS A 34 16.530 -3.325 6.439 1.00 0.00 C ATOM 538 NZ LYS A 34 17.496 -2.660 5.521 1.00 0.00 N ATOM 0 H LYS A 34 13.938 -3.005 2.357 1.00 0.00 H new ATOM 0 HA LYS A 34 12.326 -1.626 4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.231 -2.165 3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.849 -0.798 4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.256 -2.538 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.299 -3.722 5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.575 -1.421 6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.862 -2.715 7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.017 -3.529 7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.234 -4.287 6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.427 -3.115 5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.159 -2.745 4.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.578 -1.654 5.773 1.00 0.00 H new ATOM 552 N ASP A 35 13.599 0.122 1.831 1.00 0.00 N ATOM 553 CA ASP A 35 13.642 1.445 1.219 1.00 0.00 C ATOM 554 C ASP A 35 12.297 1.798 0.594 1.00 0.00 C ATOM 555 O ASP A 35 11.746 2.871 0.843 1.00 0.00 O ATOM 556 CB ASP A 35 14.743 1.504 0.158 1.00 0.00 C ATOM 557 CG ASP A 35 16.083 1.913 0.736 1.00 0.00 C ATOM 558 OD1 ASP A 35 16.297 3.127 0.937 1.00 0.00 O ATOM 559 OD2 ASP A 35 16.918 1.020 0.989 1.00 0.00 O ATOM 0 H ASP A 35 13.900 -0.636 1.218 1.00 0.00 H new ATOM 0 HA ASP A 35 13.862 2.173 2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.838 0.528 -0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.456 2.211 -0.621 1.00 0.00 H new ATOM 564 N LYS A 36 11.772 0.890 -0.221 1.00 0.00 N ATOM 565 CA LYS A 36 10.490 1.104 -0.883 1.00 0.00 C ATOM 566 C LYS A 36 9.409 1.466 0.130 1.00 0.00 C ATOM 567 O LYS A 36 8.534 2.287 -0.148 1.00 0.00 O ATOM 568 CB LYS A 36 10.078 -0.149 -1.660 1.00 0.00 C ATOM 569 CG LYS A 36 8.676 -0.072 -2.239 1.00 0.00 C ATOM 570 CD LYS A 36 8.512 1.139 -3.143 1.00 0.00 C ATOM 571 CE LYS A 36 9.449 1.073 -4.339 1.00 0.00 C ATOM 572 NZ LYS A 36 9.132 2.118 -5.351 1.00 0.00 N ATOM 0 H LYS A 36 12.215 -0.002 -0.439 1.00 0.00 H new ATOM 0 HA LYS A 36 10.603 1.935 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.788 -0.314 -2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.142 -1.014 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.464 -0.980 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.949 -0.023 -1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.481 1.198 -3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.709 2.048 -2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.478 1.195 -4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.380 0.088 -4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.793 2.039 -6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.159 1.986 -5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.223 3.059 -4.918 1.00 0.00 H new ATOM 586 N ARG A 37 9.475 0.849 1.305 1.00 0.00 N ATOM 587 CA ARG A 37 8.501 1.106 2.359 1.00 0.00 C ATOM 588 C ARG A 37 8.559 2.563 2.808 1.00 0.00 C ATOM 589 O ARG A 37 7.535 3.163 3.138 1.00 0.00 O ATOM 590 CB ARG A 37 8.752 0.183 3.552 1.00 0.00 C ATOM 591 CG ARG A 37 7.792 0.406 4.709 1.00 0.00 C ATOM 592 CD ARG A 37 7.392 -0.907 5.363 1.00 0.00 C ATOM 593 NE ARG A 37 7.950 -1.042 6.706 1.00 0.00 N ATOM 594 CZ ARG A 37 9.189 -1.453 6.949 1.00 0.00 C ATOM 595 NH1 ARG A 37 9.996 -1.767 5.945 1.00 0.00 N ATOM 596 NH2 ARG A 37 9.624 -1.550 8.199 1.00 0.00 N ATOM 0 H ARG A 37 10.193 0.167 1.551 1.00 0.00 H new ATOM 0 HA ARG A 37 7.507 0.906 1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.674 -0.853 3.221 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.773 0.329 3.905 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.258 1.055 5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.901 0.921 4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.305 -0.970 5.414 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.731 -1.738 4.744 1.00 0.00 H new ATOM 0 HE ARG A 37 7.355 -0.808 7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.666 -1.693 4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.947 -2.082 6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.006 -1.309 8.974 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.576 -1.866 8.385 1.00 0.00 H new ATOM 610 N ARG A 38 9.763 3.126 2.820 1.00 0.00 N ATOM 611 CA ARG A 38 9.955 4.511 3.231 1.00 0.00 C ATOM 612 C ARG A 38 9.335 5.470 2.218 1.00 0.00 C ATOM 613 O ARG A 38 8.754 6.490 2.587 1.00 0.00 O ATOM 614 CB ARG A 38 11.445 4.816 3.392 1.00 0.00 C ATOM 615 CG ARG A 38 12.096 4.078 4.550 1.00 0.00 C ATOM 616 CD ARG A 38 13.612 4.200 4.507 1.00 0.00 C ATOM 617 NE ARG A 38 14.211 4.043 5.830 1.00 0.00 N ATOM 618 CZ ARG A 38 14.262 5.016 6.733 1.00 0.00 C ATOM 619 NH1 ARG A 38 13.751 6.208 6.458 1.00 0.00 N ATOM 620 NH2 ARG A 38 14.824 4.797 7.915 1.00 0.00 N ATOM 0 H ARG A 38 10.620 2.644 2.550 1.00 0.00 H new ATOM 0 HA ARG A 38 9.457 4.651 4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.962 4.555 2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.574 5.889 3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.724 4.479 5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.813 3.026 4.517 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.018 3.445 3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.886 5.172 4.098 1.00 0.00 H new ATOM 0 HE ARG A 38 14.612 3.137 6.074 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.317 6.380 5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.792 6.953 7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.217 3.881 8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.863 5.545 8.608 1.00 0.00 H new ATOM 634 N LYS A 39 9.464 5.134 0.939 1.00 0.00 N ATOM 635 CA LYS A 39 8.917 5.963 -0.129 1.00 0.00 C ATOM 636 C LYS A 39 7.395 6.026 -0.043 1.00 0.00 C ATOM 637 O LYS A 39 6.808 7.109 -0.054 1.00 0.00 O ATOM 638 CB LYS A 39 9.339 5.416 -1.494 1.00 0.00 C ATOM 639 CG LYS A 39 10.845 5.354 -1.685 1.00 0.00 C ATOM 640 CD LYS A 39 11.410 6.700 -2.103 1.00 0.00 C ATOM 641 CE LYS A 39 11.273 6.922 -3.602 1.00 0.00 C ATOM 642 NZ LYS A 39 12.189 7.990 -4.091 1.00 0.00 N ATOM 0 H LYS A 39 9.943 4.293 0.617 1.00 0.00 H new ATOM 0 HA LYS A 39 9.312 6.972 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.924 4.416 -1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.907 6.041 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.317 5.033 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.086 4.607 -2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.891 7.495 -1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.461 6.758 -1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.487 5.991 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.243 7.191 -3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.065 8.111 -5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.969 8.884 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.174 7.722 -3.890 1.00 0.00 H new ATOM 656 N ILE A 40 6.763 4.861 0.043 1.00 0.00 N ATOM 657 CA ILE A 40 5.310 4.785 0.134 1.00 0.00 C ATOM 658 C ILE A 40 4.791 5.585 1.323 1.00 0.00 C ATOM 659 O ILE A 40 3.719 6.187 1.259 1.00 0.00 O ATOM 660 CB ILE A 40 4.829 3.327 0.260 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.344 2.493 -0.915 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.311 3.275 0.330 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.169 1.003 -0.721 1.00 0.00 C ATOM 0 H ILE A 40 7.234 3.956 0.052 1.00 0.00 H new ATOM 0 HA ILE A 40 4.914 5.211 -0.788 1.00 0.00 H new ATOM 0 HB ILE A 40 5.230 2.906 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.822 2.797 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.401 2.710 -1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.986 2.238 0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.967 3.839 1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.890 3.711 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.556 0.475 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.714 0.685 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.110 0.774 -0.598 1.00 0.00 H new ATOM 675 N SER A 41 5.559 5.588 2.408 1.00 0.00 N ATOM 676 CA SER A 41 5.176 6.312 3.614 1.00 0.00 C ATOM 677 C SER A 41 5.230 7.819 3.382 1.00 0.00 C ATOM 678 O SER A 41 4.550 8.588 4.062 1.00 0.00 O ATOM 679 CB SER A 41 6.093 5.930 4.777 1.00 0.00 C ATOM 680 OG SER A 41 6.242 7.009 5.684 1.00 0.00 O ATOM 0 H SER A 41 6.450 5.097 2.476 1.00 0.00 H new ATOM 0 HA SER A 41 4.151 6.037 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.683 5.066 5.299 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.070 5.636 4.393 1.00 0.00 H new ATOM 0 HG SER A 41 5.470 7.039 6.287 1.00 0.00 H new ATOM 686 N ALA A 42 6.044 8.234 2.418 1.00 0.00 N ATOM 687 CA ALA A 42 6.187 9.649 2.094 1.00 0.00 C ATOM 688 C ALA A 42 5.057 10.121 1.186 1.00 0.00 C ATOM 689 O ALA A 42 4.600 11.259 1.288 1.00 0.00 O ATOM 690 CB ALA A 42 7.536 9.907 1.439 1.00 0.00 C ATOM 0 H ALA A 42 6.615 7.611 1.847 1.00 0.00 H new ATOM 0 HA ALA A 42 6.132 10.216 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.629 10.967 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.334 9.616 2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.613 9.323 0.522 1.00 0.00 H new ATOM 696 N ALA A 43 4.610 9.239 0.298 1.00 0.00 N ATOM 697 CA ALA A 43 3.532 9.565 -0.627 1.00 0.00 C ATOM 698 C ALA A 43 2.172 9.448 0.051 1.00 0.00 C ATOM 699 O ALA A 43 1.430 10.426 0.153 1.00 0.00 O ATOM 700 CB ALA A 43 3.594 8.662 -1.850 1.00 0.00 C ATOM 0 H ALA A 43 4.978 8.293 0.200 1.00 0.00 H new ATOM 0 HA ALA A 43 3.661 10.599 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.783 8.917 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.550 8.799 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.494 7.622 -1.540 1.00 0.00 H new ATOM 706 N THR A 44 1.848 8.244 0.515 1.00 0.00 N ATOM 707 CA THR A 44 0.576 7.999 1.182 1.00 0.00 C ATOM 708 C THR A 44 0.547 8.642 2.563 1.00 0.00 C ATOM 709 O THR A 44 -0.503 8.717 3.202 1.00 0.00 O ATOM 710 CB THR A 44 0.299 6.490 1.325 1.00 0.00 C ATOM 711 OG1 THR A 44 1.210 5.912 2.266 1.00 0.00 O ATOM 712 CG2 THR A 44 0.433 5.786 -0.017 1.00 0.00 C ATOM 0 H THR A 44 2.450 7.424 0.441 1.00 0.00 H new ATOM 0 HA THR A 44 -0.199 8.446 0.560 1.00 0.00 H new ATOM 0 HB THR A 44 -0.722 6.363 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.129 6.038 1.951 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.233 4.722 0.109 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.282 6.209 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.444 5.922 -0.400 1.00 0.00 H new ATOM 720 N SER A 45 1.705 9.107 3.020 1.00 0.00 N ATOM 721 CA SER A 45 1.813 9.742 4.328 1.00 0.00 C ATOM 722 C SER A 45 1.474 8.755 5.440 1.00 0.00 C ATOM 723 O SER A 45 1.004 9.144 6.511 1.00 0.00 O ATOM 724 CB SER A 45 0.884 10.955 4.407 1.00 0.00 C ATOM 725 OG SER A 45 0.885 11.679 3.188 1.00 0.00 O ATOM 0 H SER A 45 2.583 9.056 2.503 1.00 0.00 H new ATOM 0 HA SER A 45 2.843 10.073 4.461 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.129 10.626 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.201 11.607 5.221 1.00 0.00 H new ATOM 0 HG SER A 45 0.282 12.448 3.264 1.00 0.00 H new ATOM 731 N LEU A 46 1.715 7.475 5.180 1.00 0.00 N ATOM 732 CA LEU A 46 1.436 6.429 6.159 1.00 0.00 C ATOM 733 C LEU A 46 2.708 6.014 6.890 1.00 0.00 C ATOM 734 O LEU A 46 3.807 6.445 6.539 1.00 0.00 O ATOM 735 CB LEU A 46 0.810 5.214 5.472 1.00 0.00 C ATOM 736 CG LEU A 46 -0.604 5.408 4.923 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.868 4.446 3.776 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.635 5.220 6.027 1.00 0.00 C ATOM 0 H LEU A 46 2.103 7.136 4.300 1.00 0.00 H new ATOM 0 HA LEU A 46 0.733 6.828 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.459 4.912 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.792 4.389 6.184 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.689 6.426 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.879 4.599 3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.150 4.628 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.764 3.420 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.636 5.362 5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.550 4.214 6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.459 5.950 6.817 1.00 0.00 H new ATOM 750 N SER A 47 2.553 5.174 7.908 1.00 0.00 N ATOM 751 CA SER A 47 3.689 4.701 8.690 1.00 0.00 C ATOM 752 C SER A 47 4.254 3.412 8.103 1.00 0.00 C ATOM 753 O SER A 47 3.528 2.621 7.503 1.00 0.00 O ATOM 754 CB SER A 47 3.274 4.474 10.145 1.00 0.00 C ATOM 755 OG SER A 47 4.345 4.752 11.030 1.00 0.00 O ATOM 0 H SER A 47 1.651 4.807 8.211 1.00 0.00 H new ATOM 0 HA SER A 47 4.465 5.465 8.656 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.423 5.111 10.387 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.948 3.442 10.277 1.00 0.00 H new ATOM 0 HG SER A 47 4.054 4.601 11.953 1.00 0.00 H new ATOM 761 N GLU A 48 5.556 3.209 8.281 1.00 0.00 N ATOM 762 CA GLU A 48 6.220 2.016 7.768 1.00 0.00 C ATOM 763 C GLU A 48 5.488 0.753 8.212 1.00 0.00 C ATOM 764 O GLU A 48 5.439 -0.238 7.483 1.00 0.00 O ATOM 765 CB GLU A 48 7.673 1.970 8.243 1.00 0.00 C ATOM 766 CG GLU A 48 8.434 3.262 8.000 1.00 0.00 C ATOM 767 CD GLU A 48 9.915 3.133 8.302 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.664 2.682 7.410 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.324 3.482 9.428 1.00 0.00 O ATOM 0 H GLU A 48 6.171 3.855 8.776 1.00 0.00 H new ATOM 0 HA GLU A 48 6.203 2.062 6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.691 1.743 9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.187 1.154 7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.304 3.566 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.008 4.052 8.619 1.00 0.00 H new ATOM 776 N ARG A 49 4.920 0.796 9.414 1.00 0.00 N ATOM 777 CA ARG A 49 4.193 -0.345 9.956 1.00 0.00 C ATOM 778 C ARG A 49 2.842 -0.508 9.264 1.00 0.00 C ATOM 779 O ARG A 49 2.454 -1.615 8.894 1.00 0.00 O ATOM 780 CB ARG A 49 3.988 -0.176 11.463 1.00 0.00 C ATOM 781 CG ARG A 49 3.693 -1.480 12.187 1.00 0.00 C ATOM 782 CD ARG A 49 4.935 -2.351 12.294 1.00 0.00 C ATOM 783 NE ARG A 49 5.853 -1.871 13.324 1.00 0.00 N ATOM 784 CZ ARG A 49 7.052 -2.399 13.543 1.00 0.00 C ATOM 785 NH1 ARG A 49 7.477 -3.417 12.808 1.00 0.00 N ATOM 786 NH2 ARG A 49 7.830 -1.907 14.499 1.00 0.00 N ATOM 0 H ARG A 49 4.950 1.609 10.030 1.00 0.00 H new ATOM 0 HA ARG A 49 4.786 -1.241 9.774 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.881 0.275 11.894 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.166 0.519 11.634 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.311 -1.265 13.185 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.911 -2.023 11.656 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.641 -3.376 12.520 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.448 -2.371 11.332 1.00 0.00 H new ATOM 0 HE ARG A 49 5.557 -1.088 13.907 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.883 -3.797 12.071 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.398 -3.820 12.979 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.507 -1.123 15.066 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.751 -2.313 14.667 1.00 0.00 H new ATOM 800 N GLN A 50 2.133 0.603 9.093 1.00 0.00 N ATOM 801 CA GLN A 50 0.826 0.582 8.447 1.00 0.00 C ATOM 802 C GLN A 50 0.920 -0.018 7.048 1.00 0.00 C ATOM 803 O GLN A 50 0.113 -0.869 6.672 1.00 0.00 O ATOM 804 CB GLN A 50 0.250 1.997 8.369 1.00 0.00 C ATOM 805 CG GLN A 50 -0.204 2.544 9.713 1.00 0.00 C ATOM 806 CD GLN A 50 -1.347 3.532 9.586 1.00 0.00 C ATOM 807 OE1 GLN A 50 -1.170 4.733 9.788 1.00 0.00 O ATOM 808 NE2 GLN A 50 -2.529 3.029 9.249 1.00 0.00 N ATOM 0 H GLN A 50 2.441 1.528 9.392 1.00 0.00 H new ATOM 0 HA GLN A 50 0.162 -0.041 9.046 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.003 2.664 7.950 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.595 1.999 7.681 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.513 1.717 10.352 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.638 3.030 10.206 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.630 2.026 9.091 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.336 3.645 9.148 1.00 0.00 H new ATOM 817 N ILE A 51 1.910 0.429 6.283 1.00 0.00 N ATOM 818 CA ILE A 51 2.109 -0.065 4.926 1.00 0.00 C ATOM 819 C ILE A 51 2.412 -1.560 4.925 1.00 0.00 C ATOM 820 O ILE A 51 1.927 -2.303 4.071 1.00 0.00 O ATOM 821 CB ILE A 51 3.255 0.680 4.218 1.00 0.00 C ATOM 822 CG1 ILE A 51 2.951 2.178 4.146 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.476 0.112 2.824 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.139 3.017 3.729 1.00 0.00 C ATOM 0 H ILE A 51 2.587 1.132 6.580 1.00 0.00 H new ATOM 0 HA ILE A 51 1.180 0.116 4.385 1.00 0.00 H new ATOM 0 HB ILE A 51 4.169 0.541 4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.136 2.341 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.602 2.517 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.289 0.650 2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.733 -0.945 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.564 0.224 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.850 4.068 3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.949 2.883 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.475 2.705 2.740 1.00 0.00 H new ATOM 836 N THR A 52 3.218 -1.996 5.888 1.00 0.00 N ATOM 837 CA THR A 52 3.586 -3.402 6.000 1.00 0.00 C ATOM 838 C THR A 52 2.367 -4.267 6.298 1.00 0.00 C ATOM 839 O THR A 52 2.097 -5.239 5.592 1.00 0.00 O ATOM 840 CB THR A 52 4.639 -3.621 7.102 1.00 0.00 C ATOM 841 OG1 THR A 52 5.824 -2.875 6.803 1.00 0.00 O ATOM 842 CG2 THR A 52 4.983 -5.097 7.235 1.00 0.00 C ATOM 0 H THR A 52 3.629 -1.395 6.602 1.00 0.00 H new ATOM 0 HA THR A 52 4.010 -3.695 5.040 1.00 0.00 H new ATOM 0 HB THR A 52 4.221 -3.274 8.047 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.730 -1.961 7.144 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.729 -5.228 8.019 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.085 -5.658 7.491 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.383 -5.464 6.290 1.00 0.00 H new ATOM 850 N ILE A 53 1.634 -3.907 7.346 1.00 0.00 N ATOM 851 CA ILE A 53 0.442 -4.651 7.735 1.00 0.00 C ATOM 852 C ILE A 53 -0.504 -4.831 6.553 1.00 0.00 C ATOM 853 O ILE A 53 -0.930 -5.946 6.250 1.00 0.00 O ATOM 854 CB ILE A 53 -0.312 -3.947 8.879 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.597 -3.795 10.100 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.569 -4.723 9.241 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.162 -2.696 11.044 1.00 0.00 C ATOM 0 H ILE A 53 1.844 -3.105 7.941 1.00 0.00 H new ATOM 0 HA ILE A 53 0.779 -5.629 8.080 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.607 -2.953 8.543 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.624 -4.740 10.643 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.614 -3.592 9.763 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.091 -4.213 10.051 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.222 -4.784 8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.296 -5.728 9.562 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.852 -2.646 11.886 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.163 -1.742 10.517 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.843 -2.907 11.410 1.00 0.00 H new ATOM 869 N TRP A 54 -0.828 -3.728 5.888 1.00 0.00 N ATOM 870 CA TRP A 54 -1.723 -3.765 4.737 1.00 0.00 C ATOM 871 C TRP A 54 -1.214 -4.741 3.682 1.00 0.00 C ATOM 872 O TRP A 54 -1.996 -5.449 3.049 1.00 0.00 O ATOM 873 CB TRP A 54 -1.865 -2.367 4.131 1.00 0.00 C ATOM 874 CG TRP A 54 -2.910 -2.288 3.060 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.179 -1.798 3.188 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.777 -2.713 1.699 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.842 -1.893 1.988 1.00 0.00 N ATOM 878 CE2 TRP A 54 -4.004 -2.450 1.059 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.741 -3.289 0.959 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.220 -2.744 -0.285 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.957 -3.580 -0.374 1.00 0.00 C ATOM 882 CH2 TRP A 54 -3.188 -3.308 -0.985 1.00 0.00 C ATOM 0 H TRP A 54 -0.485 -2.797 6.126 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.700 -4.107 5.079 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.112 -1.659 4.922 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.905 -2.059 3.716 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.599 -1.395 4.098 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.803 -1.597 1.817 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.788 -3.503 1.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.168 -2.534 -0.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.163 -4.025 -0.955 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.325 -3.548 -2.029 1.00 0.00 H new ATOM 893 N PHE A 55 0.102 -4.773 3.499 1.00 0.00 N ATOM 894 CA PHE A 55 0.715 -5.663 2.520 1.00 0.00 C ATOM 895 C PHE A 55 0.658 -7.113 2.991 1.00 0.00 C ATOM 896 O PHE A 55 0.703 -8.041 2.184 1.00 0.00 O ATOM 897 CB PHE A 55 2.168 -5.254 2.267 1.00 0.00 C ATOM 898 CG PHE A 55 2.339 -4.354 1.076 1.00 0.00 C ATOM 899 CD1 PHE A 55 1.756 -3.097 1.052 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.082 -4.765 -0.019 1.00 0.00 C ATOM 901 CE1 PHE A 55 1.911 -2.268 -0.043 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.241 -3.940 -1.116 1.00 0.00 C ATOM 903 CZ PHE A 55 2.655 -2.689 -1.128 1.00 0.00 C ATOM 0 H PHE A 55 0.764 -4.193 4.015 1.00 0.00 H new ATOM 0 HA PHE A 55 0.154 -5.580 1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.554 -4.749 3.152 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.770 -6.151 2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.174 -2.762 1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.542 -5.742 -0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.450 -1.291 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.823 -4.273 -1.963 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.778 -2.042 -1.984 1.00 0.00 H new ATOM 913 N GLN A 56 0.560 -7.299 4.304 1.00 0.00 N ATOM 914 CA GLN A 56 0.499 -8.635 4.883 1.00 0.00 C ATOM 915 C GLN A 56 -0.902 -9.223 4.747 1.00 0.00 C ATOM 916 O GLN A 56 -1.065 -10.381 4.363 1.00 0.00 O ATOM 917 CB GLN A 56 0.907 -8.595 6.356 1.00 0.00 C ATOM 918 CG GLN A 56 2.411 -8.655 6.573 1.00 0.00 C ATOM 919 CD GLN A 56 2.797 -9.541 7.741 1.00 0.00 C ATOM 920 OE1 GLN A 56 3.417 -10.589 7.561 1.00 0.00 O ATOM 921 NE2 GLN A 56 2.432 -9.123 8.947 1.00 0.00 N ATOM 0 H GLN A 56 0.521 -6.541 4.986 1.00 0.00 H new ATOM 0 HA GLN A 56 1.196 -9.272 4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.519 -7.682 6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.440 -9.431 6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.891 -9.025 5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.790 -7.648 6.745 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.919 -8.247 9.050 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.665 -9.677 9.771 1.00 0.00 H new ATOM 930 N ASN A 57 -1.910 -8.418 5.066 1.00 0.00 N ATOM 931 CA ASN A 57 -3.297 -8.859 4.980 1.00 0.00 C ATOM 932 C ASN A 57 -3.644 -9.291 3.559 1.00 0.00 C ATOM 933 O ASN A 57 -4.592 -10.047 3.342 1.00 0.00 O ATOM 934 CB ASN A 57 -4.239 -7.740 5.429 1.00 0.00 C ATOM 935 CG ASN A 57 -4.734 -7.936 6.849 1.00 0.00 C ATOM 936 OD1 ASN A 57 -5.769 -8.562 7.077 1.00 0.00 O ATOM 937 ND2 ASN A 57 -3.994 -7.399 7.813 1.00 0.00 N ATOM 0 H ASN A 57 -1.792 -7.457 5.386 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.421 -9.716 5.642 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.723 -6.783 5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.093 -7.694 4.753 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.277 -7.498 8.788 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.143 -6.888 7.578 1.00 0.00 H new ATOM 944 N ARG A 58 -2.869 -8.807 2.593 1.00 0.00 N ATOM 945 CA ARG A 58 -3.094 -9.142 1.193 1.00 0.00 C ATOM 946 C ARG A 58 -2.586 -10.547 0.881 1.00 0.00 C ATOM 947 O ARG A 58 -3.313 -11.373 0.329 1.00 0.00 O ATOM 948 CB ARG A 58 -2.402 -8.124 0.285 1.00 0.00 C ATOM 949 CG ARG A 58 -3.223 -7.738 -0.934 1.00 0.00 C ATOM 950 CD ARG A 58 -4.515 -7.042 -0.538 1.00 0.00 C ATOM 951 NE ARG A 58 -5.042 -6.209 -1.615 1.00 0.00 N ATOM 952 CZ ARG A 58 -6.308 -5.815 -1.688 1.00 0.00 C ATOM 953 NH1 ARG A 58 -7.173 -6.176 -0.750 1.00 0.00 N ATOM 954 NH2 ARG A 58 -6.712 -5.057 -2.700 1.00 0.00 N ATOM 0 H ARG A 58 -2.080 -8.182 2.755 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.168 -9.113 1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.181 -7.226 0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.448 -8.534 -0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.636 -7.081 -1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.453 -8.630 -1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.259 -7.789 -0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.339 -6.426 0.344 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.402 -5.913 -2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.866 -6.758 0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.145 -5.872 -0.808 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.050 -4.776 -3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.685 -4.755 -2.755 1.00 0.00 H new ATOM 968 N ARG A 59 -1.333 -10.809 1.238 1.00 0.00 N ATOM 969 CA ARG A 59 -0.726 -12.113 0.995 1.00 0.00 C ATOM 970 C ARG A 59 -1.332 -13.173 1.910 1.00 0.00 C ATOM 971 O ARG A 59 -1.544 -14.315 1.500 1.00 0.00 O ATOM 972 CB ARG A 59 0.787 -12.043 1.209 1.00 0.00 C ATOM 973 CG ARG A 59 1.564 -11.688 -0.048 1.00 0.00 C ATOM 974 CD ARG A 59 2.166 -12.924 -0.698 1.00 0.00 C ATOM 975 NE ARG A 59 1.391 -13.367 -1.854 1.00 0.00 N ATOM 976 CZ ARG A 59 1.753 -14.377 -2.638 1.00 0.00 C ATOM 977 NH1 ARG A 59 2.870 -15.045 -2.390 1.00 0.00 N ATOM 978 NH2 ARG A 59 0.994 -14.720 -3.671 1.00 0.00 N ATOM 0 H ARG A 59 -0.718 -10.136 1.696 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.927 -12.393 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.003 -11.303 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.137 -13.005 1.583 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.903 -11.188 -0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.357 -10.983 0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.189 -12.709 -1.008 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.218 -13.730 0.034 1.00 0.00 H new ATOM 0 HE ARG A 59 0.525 -12.874 -2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.454 -14.784 -1.596 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.145 -15.820 -2.993 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.133 -14.208 -3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.272 -15.495 -4.273 1.00 0.00 H new ATOM 992 N VAL A 60 -1.608 -12.788 3.152 1.00 0.00 N ATOM 993 CA VAL A 60 -2.189 -13.705 4.125 1.00 0.00 C ATOM 994 C VAL A 60 -3.625 -14.061 3.756 1.00 0.00 C ATOM 995 O VAL A 60 -4.149 -15.092 4.176 1.00 0.00 O ATOM 996 CB VAL A 60 -2.170 -13.105 5.543 1.00 0.00 C ATOM 997 CG1 VAL A 60 -2.818 -14.057 6.536 1.00 0.00 C ATOM 998 CG2 VAL A 60 -0.745 -12.774 5.962 1.00 0.00 C ATOM 0 H VAL A 60 -1.439 -11.847 3.508 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.579 -14.608 4.112 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.747 -12.180 5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.795 -13.615 7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.852 -14.239 6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.272 -15.000 6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.750 -12.351 6.967 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.143 -13.683 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.320 -12.051 5.266 1.00 0.00 H new