USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 569 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 37 LYS NZ :NH3+ 138:sc= 0.147 (180deg=-0.405) USER MOD Set 1.2: A 78 TYR OH : rot 170:sc= 0.25 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 162:sc= -0.0639 (180deg=-0.172) USER MOD Single : A 19 SER OG : rot 74:sc= 0.0361 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -156:sc= 0.113 (180deg=0.0177) USER MOD Single : A 25 GLN : amide:sc= 0.362 X(o=0.36,f=-0.066) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.948 K(o=0.95,f=-0.0035) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.0691 X(o=-0.069,f=0) USER MOD Single : A 46 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.6) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= 1.12 (180deg=0.905) USER MOD Single : A 54 ASN : amide:sc= -0.062 X(o=-0.062,f=-0.071) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.7! C(o=-1.7!,f=-2.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.119 USER MOD Single : A 71 THR OG1 : rot -165:sc= 1.26 USER MOD Single : A 80 THR OG1 : rot 139:sc= 1.32 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 131:sc= 0.0636 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.534 -0.019 -4.577 1.00 0.00 N ATOM 183 CA LYS A 16 -9.678 0.365 -5.975 1.00 0.00 C ATOM 184 C LYS A 16 -8.503 -0.253 -6.754 1.00 0.00 C ATOM 185 O LYS A 16 -7.480 -0.602 -6.157 1.00 0.00 O ATOM 186 CB LYS A 16 -9.637 1.901 -6.090 1.00 0.00 C ATOM 187 CG LYS A 16 -10.948 2.604 -5.729 1.00 0.00 C ATOM 188 CD LYS A 16 -12.027 2.435 -6.803 1.00 0.00 C ATOM 189 CE LYS A 16 -13.223 3.319 -6.440 1.00 0.00 C ATOM 190 NZ LYS A 16 -14.313 3.190 -7.425 1.00 0.00 N ATOM 0 HA LYS A 16 -10.626 0.011 -6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.847 2.279 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.366 2.168 -7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.318 2.209 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.756 3.666 -5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.634 2.714 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.335 1.391 -6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.591 3.046 -5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.903 4.360 -6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.106 3.803 -7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.968 3.475 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.635 2.202 -7.459 1.00 0.00 H new ATOM 204 N PRO A 17 -8.626 -0.440 -8.079 1.00 0.00 N ATOM 205 CA PRO A 17 -7.538 -0.982 -8.886 1.00 0.00 C ATOM 206 C PRO A 17 -6.432 0.083 -8.980 1.00 0.00 C ATOM 207 O PRO A 17 -6.640 1.228 -8.575 1.00 0.00 O ATOM 208 CB PRO A 17 -8.172 -1.295 -10.245 1.00 0.00 C ATOM 209 CG PRO A 17 -9.288 -0.255 -10.355 1.00 0.00 C ATOM 210 CD PRO A 17 -9.763 -0.100 -8.914 1.00 0.00 C ATOM 0 HA PRO A 17 -7.078 -1.880 -8.473 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.451 -1.200 -11.057 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.563 -2.312 -10.283 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.921 0.687 -10.762 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.091 -0.594 -11.010 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.098 0.919 -8.721 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.608 -0.757 -8.709 1.00 0.00 H new ATOM 218 N MET A 18 -5.273 -0.263 -9.545 1.00 0.00 N ATOM 219 CA MET A 18 -4.141 0.653 -9.689 1.00 0.00 C ATOM 220 C MET A 18 -3.695 0.669 -11.147 1.00 0.00 C ATOM 221 O MET A 18 -3.432 -0.399 -11.714 1.00 0.00 O ATOM 222 CB MET A 18 -2.989 0.202 -8.779 1.00 0.00 C ATOM 223 CG MET A 18 -3.384 0.116 -7.299 1.00 0.00 C ATOM 224 SD MET A 18 -3.931 1.652 -6.514 1.00 0.00 S ATOM 225 CE MET A 18 -2.569 1.891 -5.348 1.00 0.00 C ATOM 0 H MET A 18 -5.093 -1.195 -9.918 1.00 0.00 H new ATOM 0 HA MET A 18 -4.439 1.660 -9.395 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.634 -0.774 -9.111 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.157 0.898 -8.886 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.183 -0.619 -7.202 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.530 -0.266 -6.740 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.559 2.926 -5.007 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.702 1.229 -4.493 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.624 1.662 -5.841 1.00 0.00 H new ATOM 235 N SER A 19 -3.649 1.841 -11.773 1.00 0.00 N ATOM 236 CA SER A 19 -3.213 1.963 -13.163 1.00 0.00 C ATOM 237 C SER A 19 -1.686 1.802 -13.231 1.00 0.00 C ATOM 238 O SER A 19 -1.005 1.780 -12.200 1.00 0.00 O ATOM 239 CB SER A 19 -3.659 3.310 -13.742 1.00 0.00 C ATOM 240 OG SER A 19 -5.030 3.539 -13.474 1.00 0.00 O ATOM 0 H SER A 19 -3.910 2.726 -11.338 1.00 0.00 H new ATOM 0 HA SER A 19 -3.672 1.178 -13.764 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.060 4.113 -13.312 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.486 3.324 -14.818 1.00 0.00 H new ATOM 0 HG SER A 19 -5.146 3.760 -12.526 1.00 0.00 H new ATOM 246 N TYR A 20 -1.138 1.689 -14.441 1.00 0.00 N ATOM 247 CA TYR A 20 0.298 1.534 -14.657 1.00 0.00 C ATOM 248 C TYR A 20 1.075 2.703 -14.045 1.00 0.00 C ATOM 249 O TYR A 20 2.128 2.530 -13.433 1.00 0.00 O ATOM 250 CB TYR A 20 0.563 1.456 -16.167 1.00 0.00 C ATOM 251 CG TYR A 20 2.032 1.501 -16.540 1.00 0.00 C ATOM 252 CD1 TYR A 20 2.931 0.602 -15.936 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.510 2.463 -17.453 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.301 0.666 -16.222 1.00 0.00 C ATOM 255 CE2 TYR A 20 3.884 2.516 -17.764 1.00 0.00 C ATOM 256 CZ TYR A 20 4.786 1.627 -17.133 1.00 0.00 C ATOM 257 OH TYR A 20 6.121 1.716 -17.372 1.00 0.00 O ATOM 0 H TYR A 20 -1.683 1.703 -15.303 1.00 0.00 H new ATOM 0 HA TYR A 20 0.637 0.620 -14.170 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.129 0.534 -16.554 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.049 2.282 -16.659 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.562 -0.143 -15.247 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.824 3.159 -17.914 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.985 -0.020 -15.745 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.248 3.235 -18.483 1.00 0.00 H new ATOM 0 HH TYR A 20 6.290 2.427 -18.025 1.00 0.00 H new ATOM 267 N GLU A 21 0.549 3.908 -14.217 1.00 0.00 N ATOM 268 CA GLU A 21 1.145 5.131 -13.724 1.00 0.00 C ATOM 269 C GLU A 21 1.112 5.180 -12.199 1.00 0.00 C ATOM 270 O GLU A 21 2.051 5.699 -11.607 1.00 0.00 O ATOM 271 CB GLU A 21 0.431 6.338 -14.350 1.00 0.00 C ATOM 272 CG GLU A 21 0.372 6.292 -15.890 1.00 0.00 C ATOM 273 CD GLU A 21 -0.935 5.702 -16.433 1.00 0.00 C ATOM 274 OE1 GLU A 21 -1.501 4.766 -15.828 1.00 0.00 O ATOM 275 OE2 GLU A 21 -1.417 6.168 -17.492 1.00 0.00 O ATOM 0 H GLU A 21 -0.327 4.060 -14.717 1.00 0.00 H new ATOM 0 HA GLU A 21 2.194 5.163 -14.017 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.584 6.392 -13.958 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.941 7.251 -14.042 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.496 7.302 -16.281 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.210 5.702 -16.261 1.00 0.00 H new ATOM 282 N GLU A 22 0.079 4.620 -11.562 1.00 0.00 N ATOM 283 CA GLU A 22 -0.054 4.614 -10.105 1.00 0.00 C ATOM 284 C GLU A 22 1.008 3.681 -9.530 1.00 0.00 C ATOM 285 O GLU A 22 1.703 4.027 -8.574 1.00 0.00 O ATOM 286 CB GLU A 22 -1.481 4.224 -9.681 1.00 0.00 C ATOM 287 CG GLU A 22 -2.502 5.157 -10.348 1.00 0.00 C ATOM 288 CD GLU A 22 -3.921 5.008 -9.808 1.00 0.00 C ATOM 289 OE1 GLU A 22 -4.654 4.131 -10.313 1.00 0.00 O ATOM 290 OE2 GLU A 22 -4.367 5.879 -9.018 1.00 0.00 O ATOM 0 H GLU A 22 -0.690 4.157 -12.046 1.00 0.00 H new ATOM 0 HA GLU A 22 0.109 5.615 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.683 3.190 -9.962 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.576 4.284 -8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.179 6.189 -10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.510 4.963 -11.421 1.00 0.00 H new ATOM 297 N LYS A 23 1.166 2.495 -10.125 1.00 0.00 N ATOM 298 CA LYS A 23 2.157 1.500 -9.723 1.00 0.00 C ATOM 299 C LYS A 23 3.549 2.126 -9.784 1.00 0.00 C ATOM 300 O LYS A 23 4.297 2.082 -8.812 1.00 0.00 O ATOM 301 CB LYS A 23 2.084 0.319 -10.689 1.00 0.00 C ATOM 302 CG LYS A 23 0.840 -0.538 -10.449 1.00 0.00 C ATOM 303 CD LYS A 23 0.623 -1.417 -11.674 1.00 0.00 C ATOM 304 CE LYS A 23 -0.366 -2.537 -11.356 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.270 -3.619 -12.354 1.00 0.00 N ATOM 0 H LYS A 23 0.595 2.196 -10.916 1.00 0.00 H new ATOM 0 HA LYS A 23 1.959 1.159 -8.707 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.078 0.689 -11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.976 -0.297 -10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.968 -1.153 -9.558 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.030 0.095 -10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.246 -0.814 -12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.573 -1.843 -11.997 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.165 -2.935 -10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.381 -2.139 -11.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.166 -4.146 -12.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.078 -3.211 -13.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.503 -4.265 -12.093 1.00 0.00 H new ATOM 319 N ARG A 24 3.900 2.720 -10.928 1.00 0.00 N ATOM 320 CA ARG A 24 5.197 3.361 -11.097 1.00 0.00 C ATOM 321 C ARG A 24 5.342 4.501 -10.099 1.00 0.00 C ATOM 322 O ARG A 24 6.359 4.530 -9.414 1.00 0.00 O ATOM 323 CB ARG A 24 5.410 3.833 -12.545 1.00 0.00 C ATOM 324 CG ARG A 24 5.621 2.679 -13.543 1.00 0.00 C ATOM 325 CD ARG A 24 6.906 1.865 -13.317 1.00 0.00 C ATOM 326 NE ARG A 24 8.134 2.598 -13.669 1.00 0.00 N ATOM 327 CZ ARG A 24 9.378 2.103 -13.597 1.00 0.00 C ATOM 328 NH1 ARG A 24 9.594 0.851 -13.209 1.00 0.00 N ATOM 329 NH2 ARG A 24 10.400 2.885 -13.917 1.00 0.00 N ATOM 0 H ARG A 24 3.298 2.768 -11.750 1.00 0.00 H new ATOM 0 HA ARG A 24 5.978 2.628 -10.895 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.547 4.420 -12.858 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.275 4.495 -12.579 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.765 2.006 -13.486 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.638 3.088 -14.553 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.958 1.566 -12.270 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.856 0.950 -13.908 1.00 0.00 H new ATOM 0 HE ARG A 24 8.030 3.559 -13.994 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.807 0.251 -12.961 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.547 0.490 -13.160 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.233 3.847 -14.212 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.353 2.525 -13.868 1.00 0.00 H new ATOM 343 N GLN A 25 4.361 5.402 -9.978 1.00 0.00 N ATOM 344 CA GLN A 25 4.407 6.532 -9.053 1.00 0.00 C ATOM 345 C GLN A 25 4.723 6.067 -7.631 1.00 0.00 C ATOM 346 O GLN A 25 5.523 6.695 -6.941 1.00 0.00 O ATOM 347 CB GLN A 25 3.077 7.304 -9.108 1.00 0.00 C ATOM 348 CG GLN A 25 3.028 8.499 -8.148 1.00 0.00 C ATOM 349 CD GLN A 25 4.119 9.513 -8.472 1.00 0.00 C ATOM 350 OE1 GLN A 25 4.022 10.243 -9.458 1.00 0.00 O ATOM 351 NE2 GLN A 25 5.185 9.560 -7.699 1.00 0.00 N ATOM 0 H GLN A 25 3.503 5.363 -10.528 1.00 0.00 H new ATOM 0 HA GLN A 25 5.210 7.203 -9.357 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.912 7.658 -10.126 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.260 6.623 -8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.052 8.979 -8.211 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.146 8.150 -7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.252 8.949 -6.885 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.943 10.207 -7.915 1.00 0.00 H new ATOM 360 N LEU A 26 4.109 4.970 -7.188 1.00 0.00 N ATOM 361 CA LEU A 26 4.339 4.422 -5.861 1.00 0.00 C ATOM 362 C LEU A 26 5.823 4.112 -5.674 1.00 0.00 C ATOM 363 O LEU A 26 6.356 4.364 -4.598 1.00 0.00 O ATOM 364 CB LEU A 26 3.440 3.196 -5.679 1.00 0.00 C ATOM 365 CG LEU A 26 3.569 2.450 -4.346 1.00 0.00 C ATOM 366 CD1 LEU A 26 3.341 3.369 -3.145 1.00 0.00 C ATOM 367 CD2 LEU A 26 2.568 1.291 -4.349 1.00 0.00 C ATOM 0 H LEU A 26 3.438 4.439 -7.744 1.00 0.00 H new ATOM 0 HA LEU A 26 4.078 5.144 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.403 3.512 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.652 2.494 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 26 4.586 2.071 -4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.443 2.796 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.078 4.172 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.339 3.796 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.641 0.744 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.557 1.683 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.792 0.619 -5.178 1.00 0.00 H new ATOM 379 N SER A 27 6.494 3.588 -6.703 1.00 0.00 N ATOM 380 CA SER A 27 7.913 3.274 -6.641 1.00 0.00 C ATOM 381 C SER A 27 8.722 4.555 -6.432 1.00 0.00 C ATOM 382 O SER A 27 9.641 4.564 -5.610 1.00 0.00 O ATOM 383 CB SER A 27 8.369 2.581 -7.931 1.00 0.00 C ATOM 384 OG SER A 27 9.721 2.172 -7.878 1.00 0.00 O ATOM 0 H SER A 27 6.063 3.371 -7.602 1.00 0.00 H new ATOM 0 HA SER A 27 8.081 2.598 -5.802 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.737 1.712 -8.116 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.231 3.260 -8.772 1.00 0.00 H new ATOM 0 HG SER A 27 9.964 1.735 -8.721 1.00 0.00 H new ATOM 390 N LEU A 28 8.412 5.633 -7.166 1.00 0.00 N ATOM 391 CA LEU A 28 9.125 6.900 -7.052 1.00 0.00 C ATOM 392 C LEU A 28 9.084 7.375 -5.611 1.00 0.00 C ATOM 393 O LEU A 28 10.134 7.662 -5.041 1.00 0.00 O ATOM 394 CB LEU A 28 8.510 7.981 -7.959 1.00 0.00 C ATOM 395 CG LEU A 28 8.867 7.925 -9.447 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.348 8.190 -9.691 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.436 6.648 -10.157 1.00 0.00 C ATOM 0 H LEU A 28 7.659 5.645 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 28 10.155 6.735 -7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.425 7.922 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.810 8.956 -7.575 1.00 0.00 H new ATOM 0 HG LEU A 28 8.282 8.731 -9.891 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.555 8.140 -10.760 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.607 9.181 -9.317 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.943 7.439 -9.171 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.730 6.698 -11.205 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.915 5.790 -9.686 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.353 6.541 -10.089 1.00 0.00 H new ATOM 409 N ASP A 29 7.887 7.434 -5.030 1.00 0.00 N ATOM 410 CA ASP A 29 7.674 7.870 -3.655 1.00 0.00 C ATOM 411 C ASP A 29 8.396 6.922 -2.692 1.00 0.00 C ATOM 412 O ASP A 29 9.059 7.385 -1.768 1.00 0.00 O ATOM 413 CB ASP A 29 6.168 7.957 -3.378 1.00 0.00 C ATOM 414 CG ASP A 29 5.574 9.257 -3.936 1.00 0.00 C ATOM 415 OD1 ASP A 29 5.879 10.356 -3.408 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.772 9.223 -4.894 1.00 0.00 O ATOM 0 H ASP A 29 7.025 7.176 -5.511 1.00 0.00 H new ATOM 0 HA ASP A 29 8.095 8.864 -3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.663 7.102 -3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.990 7.905 -2.304 1.00 0.00 H new ATOM 421 N ILE A 30 8.331 5.604 -2.914 1.00 0.00 N ATOM 422 CA ILE A 30 8.996 4.600 -2.084 1.00 0.00 C ATOM 423 C ILE A 30 10.505 4.895 -2.060 1.00 0.00 C ATOM 424 O ILE A 30 11.115 4.874 -0.993 1.00 0.00 O ATOM 425 CB ILE A 30 8.635 3.178 -2.603 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.288 2.729 -1.992 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.710 2.110 -2.346 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.751 1.399 -2.535 1.00 0.00 C ATOM 0 H ILE A 30 7.805 5.201 -3.690 1.00 0.00 H new ATOM 0 HA ILE A 30 8.652 4.641 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 30 8.562 3.265 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.405 2.644 -0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.545 3.506 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.373 1.152 -2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.637 2.400 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.884 2.020 -1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.804 1.164 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.597 1.481 -3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.470 0.606 -2.330 1.00 0.00 H new ATOM 440 N ASN A 31 11.107 5.190 -3.219 1.00 0.00 N ATOM 441 CA ASN A 31 12.540 5.477 -3.337 1.00 0.00 C ATOM 442 C ASN A 31 12.940 6.728 -2.548 1.00 0.00 C ATOM 443 O ASN A 31 14.097 6.846 -2.130 1.00 0.00 O ATOM 444 CB ASN A 31 12.955 5.670 -4.810 1.00 0.00 C ATOM 445 CG ASN A 31 13.230 4.377 -5.561 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.343 4.139 -6.024 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.230 3.551 -5.786 1.00 0.00 N ATOM 0 H ASN A 31 10.608 5.236 -4.108 1.00 0.00 H new ATOM 0 HA ASN A 31 13.058 4.613 -2.921 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.167 6.216 -5.328 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.849 6.293 -4.844 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.378 2.711 -6.346 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.307 3.751 -5.401 1.00 0.00 H new ATOM 454 N LYS A 32 12.023 7.680 -2.354 1.00 0.00 N ATOM 455 CA LYS A 32 12.276 8.921 -1.629 1.00 0.00 C ATOM 456 C LYS A 32 12.301 8.718 -0.108 1.00 0.00 C ATOM 457 O LYS A 32 12.702 9.654 0.591 1.00 0.00 O ATOM 458 CB LYS A 32 11.217 9.965 -2.044 1.00 0.00 C ATOM 459 CG LYS A 32 11.265 10.342 -3.539 1.00 0.00 C ATOM 460 CD LYS A 32 12.393 11.294 -3.954 1.00 0.00 C ATOM 461 CE LYS A 32 12.051 12.715 -3.503 1.00 0.00 C ATOM 462 NZ LYS A 32 13.037 13.725 -3.942 1.00 0.00 N ATOM 0 H LYS A 32 11.068 7.605 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 32 13.270 9.282 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.226 9.577 -1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.356 10.866 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.356 9.426 -4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.313 10.798 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.335 10.976 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.528 11.266 -5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.069 12.985 -3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.981 12.736 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.746 14.664 -3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.972 13.491 -3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.088 13.732 -4.981 1.00 0.00 H new ATOM 476 N LEU A 33 11.848 7.578 0.428 1.00 0.00 N ATOM 477 CA LEU A 33 11.856 7.318 1.871 1.00 0.00 C ATOM 478 C LEU A 33 13.278 6.984 2.337 1.00 0.00 C ATOM 479 O LEU A 33 14.062 6.456 1.547 1.00 0.00 O ATOM 480 CB LEU A 33 10.980 6.092 2.206 1.00 0.00 C ATOM 481 CG LEU A 33 9.460 6.321 2.188 1.00 0.00 C ATOM 482 CD1 LEU A 33 8.759 4.965 2.345 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.006 7.234 3.337 1.00 0.00 C ATOM 0 H LEU A 33 11.466 6.812 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 33 11.477 8.212 2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.216 5.298 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.261 5.730 3.195 1.00 0.00 H new ATOM 0 HG LEU A 33 9.201 6.801 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.679 5.110 2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.045 4.310 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.054 4.510 3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.926 7.370 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.271 6.778 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.498 8.202 3.248 1.00 0.00 H new ATOM 495 N PRO A 34 13.634 7.245 3.609 1.00 0.00 N ATOM 496 CA PRO A 34 14.954 6.910 4.135 1.00 0.00 C ATOM 497 C PRO A 34 15.053 5.375 4.216 1.00 0.00 C ATOM 498 O PRO A 34 14.030 4.706 4.397 1.00 0.00 O ATOM 499 CB PRO A 34 15.027 7.562 5.521 1.00 0.00 C ATOM 500 CG PRO A 34 13.573 7.615 5.948 1.00 0.00 C ATOM 501 CD PRO A 34 12.822 7.867 4.640 1.00 0.00 C ATOM 0 HA PRO A 34 15.777 7.265 3.515 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.630 6.974 6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 34 15.471 8.556 5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.259 6.683 6.417 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.396 8.411 6.671 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.823 7.433 4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.700 8.934 4.455 1.00 0.00 H new ATOM 509 N GLY A 35 16.264 4.813 4.151 1.00 0.00 N ATOM 510 CA GLY A 35 16.511 3.370 4.205 1.00 0.00 C ATOM 511 C GLY A 35 15.811 2.686 5.381 1.00 0.00 C ATOM 512 O GLY A 35 15.225 1.612 5.221 1.00 0.00 O ATOM 0 H GLY A 35 17.119 5.362 4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.174 2.914 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.584 3.193 4.276 1.00 0.00 H new ATOM 516 N GLU A 36 15.815 3.320 6.555 1.00 0.00 N ATOM 517 CA GLU A 36 15.170 2.799 7.759 1.00 0.00 C ATOM 518 C GLU A 36 13.680 2.575 7.481 1.00 0.00 C ATOM 519 O GLU A 36 13.136 1.495 7.713 1.00 0.00 O ATOM 520 CB GLU A 36 15.366 3.816 8.899 1.00 0.00 C ATOM 521 CG GLU A 36 14.464 3.606 10.133 1.00 0.00 C ATOM 522 CD GLU A 36 14.683 2.287 10.879 1.00 0.00 C ATOM 523 OE1 GLU A 36 15.845 1.892 11.122 1.00 0.00 O ATOM 524 OE2 GLU A 36 13.681 1.668 11.299 1.00 0.00 O ATOM 0 H GLU A 36 16.272 4.221 6.697 1.00 0.00 H new ATOM 0 HA GLU A 36 15.612 1.846 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.407 3.780 9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.188 4.817 8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.627 4.430 10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.422 3.658 9.816 1.00 0.00 H new ATOM 531 N LYS A 37 13.001 3.620 7.002 1.00 0.00 N ATOM 532 CA LYS A 37 11.576 3.575 6.703 1.00 0.00 C ATOM 533 C LYS A 37 11.285 2.654 5.535 1.00 0.00 C ATOM 534 O LYS A 37 10.177 2.114 5.474 1.00 0.00 O ATOM 535 CB LYS A 37 11.055 4.982 6.440 1.00 0.00 C ATOM 536 CG LYS A 37 11.125 5.818 7.728 1.00 0.00 C ATOM 537 CD LYS A 37 10.385 7.149 7.574 1.00 0.00 C ATOM 538 CE LYS A 37 8.853 6.966 7.536 1.00 0.00 C ATOM 539 NZ LYS A 37 8.327 6.205 8.693 1.00 0.00 N ATOM 0 H LYS A 37 13.431 4.525 6.811 1.00 0.00 H new ATOM 0 HA LYS A 37 11.055 3.168 7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.645 5.457 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.027 4.937 6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.692 5.253 8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.167 6.008 7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.650 7.807 8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.713 7.641 6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.377 7.946 7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.578 6.451 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.453 6.653 9.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.125 5.227 8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.034 6.200 9.456 1.00 0.00 H new ATOM 553 N LEU A 38 12.234 2.476 4.615 1.00 0.00 N ATOM 554 CA LEU A 38 12.064 1.585 3.481 1.00 0.00 C ATOM 555 C LEU A 38 11.923 0.175 4.041 1.00 0.00 C ATOM 556 O LEU A 38 11.066 -0.574 3.579 1.00 0.00 O ATOM 557 CB LEU A 38 13.243 1.710 2.518 1.00 0.00 C ATOM 558 CG LEU A 38 13.098 0.910 1.217 1.00 0.00 C ATOM 559 CD1 LEU A 38 11.862 1.377 0.445 1.00 0.00 C ATOM 560 CD2 LEU A 38 14.359 1.101 0.371 1.00 0.00 C ATOM 0 H LEU A 38 13.138 2.947 4.640 1.00 0.00 H new ATOM 0 HA LEU A 38 11.176 1.841 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.380 2.762 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.148 1.384 3.030 1.00 0.00 H new ATOM 0 HG LEU A 38 12.975 -0.148 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.770 0.802 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.973 1.227 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.962 2.435 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.264 0.535 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.485 2.159 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.227 0.745 0.926 1.00 0.00 H new ATOM 572 N GLY A 39 12.656 -0.169 5.102 1.00 0.00 N ATOM 573 CA GLY A 39 12.569 -1.481 5.729 1.00 0.00 C ATOM 574 C GLY A 39 11.229 -1.706 6.422 1.00 0.00 C ATOM 575 O GLY A 39 11.000 -2.788 6.954 1.00 0.00 O ATOM 0 H GLY A 39 13.326 0.458 5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.718 -2.252 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.374 -1.587 6.457 1.00 0.00 H new ATOM 579 N ARG A 40 10.343 -0.702 6.497 1.00 0.00 N ATOM 580 CA ARG A 40 9.014 -0.856 7.087 1.00 0.00 C ATOM 581 C ARG A 40 8.038 -1.184 5.966 1.00 0.00 C ATOM 582 O ARG A 40 7.030 -1.834 6.220 1.00 0.00 O ATOM 583 CB ARG A 40 8.585 0.405 7.854 1.00 0.00 C ATOM 584 CG ARG A 40 7.222 0.267 8.557 1.00 0.00 C ATOM 585 CD ARG A 40 7.260 -0.787 9.668 1.00 0.00 C ATOM 586 NE ARG A 40 5.922 -1.171 10.137 1.00 0.00 N ATOM 587 CZ ARG A 40 5.693 -2.239 10.910 1.00 0.00 C ATOM 588 NH1 ARG A 40 6.710 -2.915 11.443 1.00 0.00 N ATOM 589 NH2 ARG A 40 4.450 -2.626 11.157 1.00 0.00 N ATOM 0 H ARG A 40 10.532 0.238 6.149 1.00 0.00 H new ATOM 0 HA ARG A 40 9.027 -1.665 7.817 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.345 0.644 8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.543 1.245 7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.931 1.229 8.978 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.461 -0.004 7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.780 -1.673 9.304 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.837 -0.401 10.508 1.00 0.00 H new ATOM 0 HE ARG A 40 5.128 -0.595 9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.669 -2.619 11.263 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.529 -3.728 12.031 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.666 -2.110 10.758 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.277 -3.440 11.746 1.00 0.00 H new ATOM 603 N VAL A 41 8.328 -0.763 4.733 1.00 0.00 N ATOM 604 CA VAL A 41 7.492 -1.019 3.575 1.00 0.00 C ATOM 605 C VAL A 41 7.280 -2.533 3.460 1.00 0.00 C ATOM 606 O VAL A 41 6.129 -2.948 3.336 1.00 0.00 O ATOM 607 CB VAL A 41 8.142 -0.403 2.316 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.331 -0.631 1.041 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.337 1.117 2.430 1.00 0.00 C ATOM 0 H VAL A 41 9.167 -0.226 4.515 1.00 0.00 H new ATOM 0 HA VAL A 41 6.514 -0.549 3.680 1.00 0.00 H new ATOM 0 HB VAL A 41 9.101 -0.916 2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.845 -0.173 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.225 -1.701 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.344 -0.182 1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.797 1.494 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.370 1.598 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.983 1.338 3.280 1.00 0.00 H new ATOM 619 N VAL A 42 8.329 -3.357 3.628 1.00 0.00 N ATOM 620 CA VAL A 42 8.220 -4.820 3.513 1.00 0.00 C ATOM 621 C VAL A 42 7.130 -5.419 4.411 1.00 0.00 C ATOM 622 O VAL A 42 6.420 -6.351 4.025 1.00 0.00 O ATOM 623 CB VAL A 42 9.596 -5.474 3.785 1.00 0.00 C ATOM 624 CG1 VAL A 42 10.010 -5.418 5.262 1.00 0.00 C ATOM 625 CG2 VAL A 42 9.617 -6.937 3.338 1.00 0.00 C ATOM 0 H VAL A 42 9.270 -3.029 3.846 1.00 0.00 H new ATOM 0 HA VAL A 42 7.912 -5.041 2.491 1.00 0.00 H new ATOM 0 HB VAL A 42 10.309 -4.889 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.983 -5.893 5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.070 -4.378 5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.271 -5.943 5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.598 -7.366 3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.855 -7.495 3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.413 -6.994 2.269 1.00 0.00 H new ATOM 635 N HIS A 43 6.983 -4.881 5.624 1.00 0.00 N ATOM 636 CA HIS A 43 6.019 -5.360 6.597 1.00 0.00 C ATOM 637 C HIS A 43 4.584 -5.205 6.109 1.00 0.00 C ATOM 638 O HIS A 43 3.706 -5.940 6.573 1.00 0.00 O ATOM 639 CB HIS A 43 6.227 -4.650 7.935 1.00 0.00 C ATOM 640 CG HIS A 43 7.496 -5.083 8.617 1.00 0.00 C ATOM 641 ND1 HIS A 43 7.644 -6.141 9.481 1.00 0.00 N ATOM 642 CD2 HIS A 43 8.734 -4.562 8.401 1.00 0.00 C ATOM 643 CE1 HIS A 43 8.945 -6.237 9.797 1.00 0.00 C ATOM 644 NE2 HIS A 43 9.651 -5.272 9.180 1.00 0.00 N ATOM 0 H HIS A 43 7.539 -4.093 5.954 1.00 0.00 H new ATOM 0 HA HIS A 43 6.188 -6.428 6.735 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.253 -3.573 7.772 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.378 -4.853 8.588 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.968 -3.740 7.740 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.366 -6.984 10.454 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.652 -5.095 9.264 1.00 0.00 H new ATOM 652 N ILE A 44 4.327 -4.251 5.209 1.00 0.00 N ATOM 653 CA ILE A 44 2.988 -4.037 4.685 1.00 0.00 C ATOM 654 C ILE A 44 2.649 -5.205 3.752 1.00 0.00 C ATOM 655 O ILE A 44 1.610 -5.846 3.927 1.00 0.00 O ATOM 656 CB ILE A 44 2.891 -2.662 3.985 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.248 -1.503 4.951 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.472 -2.479 3.404 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.464 -0.147 4.265 1.00 0.00 C ATOM 0 H ILE A 44 5.033 -3.618 4.832 1.00 0.00 H new ATOM 0 HA ILE A 44 2.255 -4.014 5.491 1.00 0.00 H new ATOM 0 HB ILE A 44 3.618 -2.635 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.450 -1.401 5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.153 -1.768 5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.403 -1.510 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.270 -3.269 2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.740 -2.529 4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.709 0.605 5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.283 -0.227 3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.553 0.145 3.742 1.00 0.00 H new ATOM 671 N ILE A 45 3.524 -5.500 2.780 1.00 0.00 N ATOM 672 CA ILE A 45 3.303 -6.573 1.816 1.00 0.00 C ATOM 673 C ILE A 45 3.140 -7.915 2.524 1.00 0.00 C ATOM 674 O ILE A 45 2.219 -8.654 2.184 1.00 0.00 O ATOM 675 CB ILE A 45 4.387 -6.629 0.713 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.607 -5.280 -0.003 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.931 -7.639 -0.339 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.850 -4.579 0.540 1.00 0.00 C ATOM 0 H ILE A 45 4.402 -4.999 2.645 1.00 0.00 H new ATOM 0 HA ILE A 45 2.370 -6.347 1.300 1.00 0.00 H new ATOM 0 HB ILE A 45 5.326 -6.902 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.715 -5.445 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.734 -4.642 0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.677 -7.701 -1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.812 -8.618 0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.978 -7.319 -0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.988 -3.630 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.727 -4.396 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.724 -5.210 0.378 1.00 0.00 H new ATOM 690 N GLN A 46 3.933 -8.210 3.559 1.00 0.00 N ATOM 691 CA GLN A 46 3.816 -9.487 4.266 1.00 0.00 C ATOM 692 C GLN A 46 2.414 -9.751 4.840 1.00 0.00 C ATOM 693 O GLN A 46 2.054 -10.909 5.070 1.00 0.00 O ATOM 694 CB GLN A 46 4.897 -9.609 5.344 1.00 0.00 C ATOM 695 CG GLN A 46 6.271 -9.837 4.701 1.00 0.00 C ATOM 696 CD GLN A 46 7.335 -10.289 5.696 1.00 0.00 C ATOM 697 OE1 GLN A 46 7.060 -10.785 6.788 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.591 -10.139 5.335 1.00 0.00 N ATOM 0 H GLN A 46 4.655 -7.588 3.922 1.00 0.00 H new ATOM 0 HA GLN A 46 3.974 -10.266 3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.918 -8.704 5.951 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.660 -10.436 6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.177 -10.586 3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.599 -8.914 4.224 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.816 -9.728 4.429 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.340 -10.434 5.961 1.00 0.00 H new ATOM 707 N SER A 47 1.604 -8.713 5.080 1.00 0.00 N ATOM 708 CA SER A 47 0.251 -8.896 5.595 1.00 0.00 C ATOM 709 C SER A 47 -0.737 -9.225 4.462 1.00 0.00 C ATOM 710 O SER A 47 -1.874 -9.630 4.705 1.00 0.00 O ATOM 711 CB SER A 47 -0.173 -7.641 6.363 1.00 0.00 C ATOM 712 OG SER A 47 -1.162 -8.005 7.303 1.00 0.00 O ATOM 0 H SER A 47 1.866 -7.740 4.924 1.00 0.00 H new ATOM 0 HA SER A 47 0.241 -9.746 6.278 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.685 -7.198 6.868 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.562 -6.889 5.676 1.00 0.00 H new ATOM 0 HG SER A 47 -1.444 -7.212 7.805 1.00 0.00 H new ATOM 718 N ARG A 48 -0.340 -9.050 3.201 1.00 0.00 N ATOM 719 CA ARG A 48 -1.165 -9.319 2.027 1.00 0.00 C ATOM 720 C ARG A 48 -0.692 -10.525 1.241 1.00 0.00 C ATOM 721 O ARG A 48 -1.517 -11.207 0.638 1.00 0.00 O ATOM 722 CB ARG A 48 -1.186 -8.080 1.134 1.00 0.00 C ATOM 723 CG ARG A 48 -1.720 -6.831 1.842 1.00 0.00 C ATOM 724 CD ARG A 48 -3.234 -6.870 2.096 1.00 0.00 C ATOM 725 NE ARG A 48 -3.623 -7.663 3.283 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.870 -7.772 3.761 1.00 0.00 C ATOM 727 NH1 ARG A 48 -5.912 -7.322 3.075 1.00 0.00 N ATOM 728 NH2 ARG A 48 -5.100 -8.331 4.940 1.00 0.00 N ATOM 0 H ARG A 48 0.591 -8.707 2.964 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.171 -9.551 2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.176 -7.882 0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.801 -8.283 0.257 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.203 -6.714 2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.483 -5.953 1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.598 -5.850 2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.729 -7.283 1.217 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.885 -8.166 3.776 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.772 -6.883 2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.853 -7.415 3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.322 -8.685 5.497 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.055 -8.407 5.291 1.00 0.00 H new ATOM 742 N GLU A 49 0.598 -10.818 1.261 1.00 0.00 N ATOM 743 CA GLU A 49 1.197 -11.934 0.550 1.00 0.00 C ATOM 744 C GLU A 49 1.670 -12.905 1.633 1.00 0.00 C ATOM 745 O GLU A 49 2.828 -12.847 2.054 1.00 0.00 O ATOM 746 CB GLU A 49 2.298 -11.431 -0.395 1.00 0.00 C ATOM 747 CG GLU A 49 1.916 -10.165 -1.178 1.00 0.00 C ATOM 748 CD GLU A 49 0.556 -10.182 -1.889 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.173 -11.234 -2.453 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.166 -9.155 -1.877 1.00 0.00 O ATOM 0 H GLU A 49 1.277 -10.269 1.788 1.00 0.00 H new ATOM 0 HA GLU A 49 0.503 -12.456 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.198 -11.229 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.546 -12.223 -1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.930 -9.321 -0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.689 -9.980 -1.924 1.00 0.00 H new ATOM 757 N PRO A 50 0.793 -13.794 2.130 1.00 0.00 N ATOM 758 CA PRO A 50 1.146 -14.728 3.185 1.00 0.00 C ATOM 759 C PRO A 50 2.349 -15.620 2.864 1.00 0.00 C ATOM 760 O PRO A 50 3.076 -15.936 3.803 1.00 0.00 O ATOM 761 CB PRO A 50 -0.133 -15.499 3.511 1.00 0.00 C ATOM 762 CG PRO A 50 -0.962 -15.378 2.244 1.00 0.00 C ATOM 763 CD PRO A 50 -0.599 -13.986 1.745 1.00 0.00 C ATOM 0 HA PRO A 50 1.503 -14.189 4.062 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.078 -16.541 3.753 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.650 -15.071 4.370 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.707 -16.149 1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.029 -15.471 2.447 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.723 -13.910 0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.240 -13.227 2.194 1.00 0.00 H new ATOM 771 N SER A 51 2.614 -16.004 1.611 1.00 0.00 N ATOM 772 CA SER A 51 3.778 -16.835 1.290 1.00 0.00 C ATOM 773 C SER A 51 5.078 -16.071 1.568 1.00 0.00 C ATOM 774 O SER A 51 6.094 -16.675 1.918 1.00 0.00 O ATOM 775 CB SER A 51 3.751 -17.272 -0.185 1.00 0.00 C ATOM 776 OG SER A 51 3.705 -18.678 -0.291 1.00 0.00 O ATOM 0 H SER A 51 2.040 -15.754 0.806 1.00 0.00 H new ATOM 0 HA SER A 51 3.737 -17.721 1.923 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.884 -16.837 -0.682 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.635 -16.893 -0.697 1.00 0.00 H new ATOM 0 HG SER A 51 3.687 -18.934 -1.237 1.00 0.00 H new ATOM 782 N LEU A 52 5.057 -14.743 1.424 1.00 0.00 N ATOM 783 CA LEU A 52 6.211 -13.878 1.641 1.00 0.00 C ATOM 784 C LEU A 52 6.371 -13.483 3.109 1.00 0.00 C ATOM 785 O LEU A 52 7.342 -12.804 3.451 1.00 0.00 O ATOM 786 CB LEU A 52 6.128 -12.665 0.688 1.00 0.00 C ATOM 787 CG LEU A 52 6.669 -12.911 -0.741 1.00 0.00 C ATOM 788 CD1 LEU A 52 8.025 -13.627 -0.797 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.674 -13.680 -1.614 1.00 0.00 C ATOM 0 H LEU A 52 4.218 -14.233 1.148 1.00 0.00 H new ATOM 0 HA LEU A 52 7.120 -14.431 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.087 -12.351 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.681 -11.837 1.131 1.00 0.00 H new ATOM 0 HG LEU A 52 6.813 -11.905 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.325 -13.757 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.773 -13.031 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.941 -14.603 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.099 -13.828 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.465 -14.649 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.748 -13.111 -1.697 1.00 0.00 H new ATOM 801 N LYS A 53 5.451 -13.883 4.002 1.00 0.00 N ATOM 802 CA LYS A 53 5.570 -13.549 5.409 1.00 0.00 C ATOM 803 C LYS A 53 6.857 -14.151 5.973 1.00 0.00 C ATOM 804 O LYS A 53 7.354 -15.158 5.463 1.00 0.00 O ATOM 805 CB LYS A 53 4.313 -13.986 6.189 1.00 0.00 C ATOM 806 CG LYS A 53 4.347 -15.428 6.742 1.00 0.00 C ATOM 807 CD LYS A 53 3.230 -15.726 7.751 1.00 0.00 C ATOM 808 CE LYS A 53 1.813 -15.663 7.178 1.00 0.00 C ATOM 809 NZ LYS A 53 1.576 -16.659 6.117 1.00 0.00 N ATOM 0 H LYS A 53 4.626 -14.434 3.765 1.00 0.00 H new ATOM 0 HA LYS A 53 5.636 -12.467 5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.165 -13.299 7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.447 -13.886 5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.271 -16.129 5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.312 -15.603 7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.393 -16.719 8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.305 -15.016 8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.094 -15.819 7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.632 -14.665 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.565 -16.674 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.131 -16.407 5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.865 -17.600 6.453 1.00 0.00 H new ATOM 823 N ASN A 54 7.316 -13.598 7.092 1.00 0.00 N ATOM 824 CA ASN A 54 8.511 -13.961 7.854 1.00 0.00 C ATOM 825 C ASN A 54 9.829 -13.810 7.095 1.00 0.00 C ATOM 826 O ASN A 54 10.869 -13.827 7.754 1.00 0.00 O ATOM 827 CB ASN A 54 8.425 -15.375 8.459 1.00 0.00 C ATOM 828 CG ASN A 54 7.321 -15.533 9.486 1.00 0.00 C ATOM 829 OD1 ASN A 54 7.192 -14.724 10.398 1.00 0.00 O ATOM 830 ND2 ASN A 54 6.500 -16.560 9.373 1.00 0.00 N ATOM 0 H ASN A 54 6.821 -12.819 7.527 1.00 0.00 H new ATOM 0 HA ASN A 54 8.524 -13.226 8.658 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.268 -16.095 7.656 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.380 -15.620 8.924 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.747 -16.688 10.049 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.618 -17.226 8.609 1.00 0.00 H new ATOM 837 N SER A 55 9.842 -13.651 5.769 1.00 0.00 N ATOM 838 CA SER A 55 11.086 -13.510 5.026 1.00 0.00 C ATOM 839 C SER A 55 11.765 -12.164 5.330 1.00 0.00 C ATOM 840 O SER A 55 11.146 -11.217 5.839 1.00 0.00 O ATOM 841 CB SER A 55 10.821 -13.758 3.533 1.00 0.00 C ATOM 842 OG SER A 55 10.544 -15.138 3.360 1.00 0.00 O ATOM 0 H SER A 55 9.001 -13.617 5.192 1.00 0.00 H new ATOM 0 HA SER A 55 11.803 -14.265 5.349 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.980 -13.155 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.687 -13.466 2.939 1.00 0.00 H new ATOM 0 HG SER A 55 10.370 -15.320 2.413 1.00 0.00 H new ATOM 848 N ASN A 56 13.061 -12.090 5.040 1.00 0.00 N ATOM 849 CA ASN A 56 13.901 -10.912 5.247 1.00 0.00 C ATOM 850 C ASN A 56 13.662 -9.906 4.107 1.00 0.00 C ATOM 851 O ASN A 56 13.404 -10.360 2.995 1.00 0.00 O ATOM 852 CB ASN A 56 15.365 -11.372 5.242 1.00 0.00 C ATOM 853 CG ASN A 56 16.238 -10.484 6.105 1.00 0.00 C ATOM 854 OD1 ASN A 56 15.925 -10.226 7.267 1.00 0.00 O ATOM 855 ND2 ASN A 56 17.328 -9.990 5.559 1.00 0.00 N ATOM 0 H ASN A 56 13.574 -12.876 4.640 1.00 0.00 H new ATOM 0 HA ASN A 56 13.661 -10.429 6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.424 -12.399 5.602 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.743 -11.370 4.220 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.937 -9.377 6.101 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.564 -10.220 4.594 1.00 0.00 H new ATOM 862 N PRO A 57 13.831 -8.581 4.282 1.00 0.00 N ATOM 863 CA PRO A 57 13.588 -7.613 3.210 1.00 0.00 C ATOM 864 C PRO A 57 14.480 -7.823 1.993 1.00 0.00 C ATOM 865 O PRO A 57 14.007 -7.670 0.870 1.00 0.00 O ATOM 866 CB PRO A 57 13.776 -6.223 3.824 1.00 0.00 C ATOM 867 CG PRO A 57 14.539 -6.477 5.121 1.00 0.00 C ATOM 868 CD PRO A 57 14.144 -7.894 5.522 1.00 0.00 C ATOM 0 HA PRO A 57 12.577 -7.739 2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.335 -5.567 3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.817 -5.741 4.016 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.615 -6.392 4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.266 -5.755 5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.957 -8.392 6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.285 -7.886 6.193 1.00 0.00 H new ATOM 876 N ASP A 58 15.743 -8.183 2.204 1.00 0.00 N ATOM 877 CA ASP A 58 16.722 -8.437 1.149 1.00 0.00 C ATOM 878 C ASP A 58 16.359 -9.694 0.344 1.00 0.00 C ATOM 879 O ASP A 58 16.791 -9.850 -0.795 1.00 0.00 O ATOM 880 CB ASP A 58 18.087 -8.574 1.838 1.00 0.00 C ATOM 881 CG ASP A 58 19.181 -9.234 0.995 1.00 0.00 C ATOM 882 OD1 ASP A 58 19.443 -8.814 -0.154 1.00 0.00 O ATOM 883 OD2 ASP A 58 19.842 -10.143 1.549 1.00 0.00 O ATOM 0 H ASP A 58 16.126 -8.310 3.141 1.00 0.00 H new ATOM 0 HA ASP A 58 16.741 -7.619 0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.428 -7.582 2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.958 -9.152 2.753 1.00 0.00 H new ATOM 888 N GLU A 59 15.538 -10.588 0.899 1.00 0.00 N ATOM 889 CA GLU A 59 15.125 -11.828 0.252 1.00 0.00 C ATOM 890 C GLU A 59 13.769 -11.713 -0.454 1.00 0.00 C ATOM 891 O GLU A 59 13.332 -12.647 -1.136 1.00 0.00 O ATOM 892 CB GLU A 59 15.090 -12.947 1.301 1.00 0.00 C ATOM 893 CG GLU A 59 16.486 -13.252 1.864 1.00 0.00 C ATOM 894 CD GLU A 59 16.452 -14.520 2.710 1.00 0.00 C ATOM 895 OE1 GLU A 59 16.223 -15.613 2.141 1.00 0.00 O ATOM 896 OE2 GLU A 59 16.526 -14.426 3.958 1.00 0.00 O ATOM 0 H GLU A 59 15.136 -10.465 1.828 1.00 0.00 H new ATOM 0 HA GLU A 59 15.853 -12.057 -0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.425 -12.659 2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.674 -13.850 0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.197 -13.372 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.833 -12.413 2.468 1.00 0.00 H new ATOM 903 N ILE A 60 13.075 -10.590 -0.295 1.00 0.00 N ATOM 904 CA ILE A 60 11.764 -10.355 -0.888 1.00 0.00 C ATOM 905 C ILE A 60 11.917 -9.417 -2.089 1.00 0.00 C ATOM 906 O ILE A 60 12.849 -8.614 -2.151 1.00 0.00 O ATOM 907 CB ILE A 60 10.826 -9.825 0.219 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.645 -10.873 1.340 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.429 -9.490 -0.317 1.00 0.00 C ATOM 910 CD1 ILE A 60 10.157 -10.252 2.644 1.00 0.00 C ATOM 0 H ILE A 60 13.415 -9.804 0.260 1.00 0.00 H new ATOM 0 HA ILE A 60 11.314 -11.268 -1.278 1.00 0.00 H new ATOM 0 HB ILE A 60 11.300 -8.921 0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.933 -11.631 1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.593 -11.381 1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.806 -9.121 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.509 -8.724 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.978 -10.387 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 60 10.046 -11.031 3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.881 -9.513 2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.195 -9.767 2.479 1.00 0.00 H new ATOM 922 N GLU A 61 10.971 -9.481 -3.026 1.00 0.00 N ATOM 923 CA GLU A 61 10.938 -8.669 -4.230 1.00 0.00 C ATOM 924 C GLU A 61 9.618 -7.908 -4.316 1.00 0.00 C ATOM 925 O GLU A 61 8.572 -8.404 -3.887 1.00 0.00 O ATOM 926 CB GLU A 61 11.158 -9.572 -5.458 1.00 0.00 C ATOM 927 CG GLU A 61 12.650 -9.662 -5.815 1.00 0.00 C ATOM 928 CD GLU A 61 13.205 -8.338 -6.343 1.00 0.00 C ATOM 929 OE1 GLU A 61 12.452 -7.342 -6.417 1.00 0.00 O ATOM 930 OE2 GLU A 61 14.410 -8.281 -6.672 1.00 0.00 O ATOM 0 H GLU A 61 10.182 -10.124 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 61 11.738 -7.929 -4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.768 -10.569 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.600 -9.179 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.214 -9.963 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 61 12.795 -10.439 -6.566 1.00 0.00 H new ATOM 937 N ILE A 62 9.650 -6.698 -4.868 1.00 0.00 N ATOM 938 CA ILE A 62 8.513 -5.811 -5.039 1.00 0.00 C ATOM 939 C ILE A 62 8.190 -5.831 -6.525 1.00 0.00 C ATOM 940 O ILE A 62 8.845 -5.176 -7.340 1.00 0.00 O ATOM 941 CB ILE A 62 8.848 -4.406 -4.503 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.334 -4.521 -3.044 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.586 -3.526 -4.619 1.00 0.00 C ATOM 944 CD1 ILE A 62 9.826 -3.229 -2.396 1.00 0.00 C ATOM 0 H ILE A 62 10.516 -6.293 -5.225 1.00 0.00 H new ATOM 0 HA ILE A 62 7.639 -6.130 -4.472 1.00 0.00 H new ATOM 0 HB ILE A 62 9.647 -3.944 -5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.518 -4.918 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.142 -5.252 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.804 -2.526 -4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.281 -3.463 -5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.780 -3.966 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.142 -3.432 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.669 -2.835 -2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.019 -2.496 -2.388 1.00 0.00 H new ATOM 956 N ASP A 63 7.138 -6.564 -6.858 1.00 0.00 N ATOM 957 CA ASP A 63 6.666 -6.747 -8.213 1.00 0.00 C ATOM 958 C ASP A 63 5.295 -6.098 -8.306 1.00 0.00 C ATOM 959 O ASP A 63 4.304 -6.659 -7.845 1.00 0.00 O ATOM 960 CB ASP A 63 6.644 -8.243 -8.527 1.00 0.00 C ATOM 961 CG ASP A 63 8.025 -8.879 -8.683 1.00 0.00 C ATOM 962 OD1 ASP A 63 9.013 -8.178 -9.010 1.00 0.00 O ATOM 963 OD2 ASP A 63 8.130 -10.112 -8.498 1.00 0.00 O ATOM 0 H ASP A 63 6.575 -7.061 -6.168 1.00 0.00 H new ATOM 0 HA ASP A 63 7.317 -6.279 -8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.108 -8.760 -7.732 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.080 -8.400 -9.446 1.00 0.00 H new ATOM 968 N PHE A 64 5.205 -4.883 -8.855 1.00 0.00 N ATOM 969 CA PHE A 64 3.927 -4.161 -8.996 1.00 0.00 C ATOM 970 C PHE A 64 3.072 -4.817 -10.091 1.00 0.00 C ATOM 971 O PHE A 64 1.966 -4.391 -10.432 1.00 0.00 O ATOM 972 CB PHE A 64 4.180 -2.688 -9.365 1.00 0.00 C ATOM 973 CG PHE A 64 5.029 -1.890 -8.389 1.00 0.00 C ATOM 974 CD1 PHE A 64 4.462 -1.401 -7.198 1.00 0.00 C ATOM 975 CD2 PHE A 64 6.374 -1.596 -8.681 1.00 0.00 C ATOM 976 CE1 PHE A 64 5.249 -0.691 -6.272 1.00 0.00 C ATOM 977 CE2 PHE A 64 7.165 -0.892 -7.755 1.00 0.00 C ATOM 978 CZ PHE A 64 6.606 -0.449 -6.544 1.00 0.00 C ATOM 0 H PHE A 64 6.010 -4.370 -9.214 1.00 0.00 H new ATOM 0 HA PHE A 64 3.399 -4.206 -8.043 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.661 -2.657 -10.343 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.216 -2.190 -9.468 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.415 -1.572 -6.993 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.801 -1.913 -9.621 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.810 -0.332 -5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.203 -0.692 -7.975 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.218 0.076 -5.825 1.00 0.00 H new ATOM 988 N GLU A 65 3.629 -5.876 -10.661 1.00 0.00 N ATOM 989 CA GLU A 65 3.127 -6.687 -11.720 1.00 0.00 C ATOM 990 C GLU A 65 2.470 -7.976 -11.232 1.00 0.00 C ATOM 991 O GLU A 65 1.628 -8.526 -11.946 1.00 0.00 O ATOM 992 CB GLU A 65 4.335 -6.925 -12.632 1.00 0.00 C ATOM 993 CG GLU A 65 5.042 -5.623 -13.056 1.00 0.00 C ATOM 994 CD GLU A 65 5.634 -5.714 -14.461 1.00 0.00 C ATOM 995 OE1 GLU A 65 4.841 -5.729 -15.429 1.00 0.00 O ATOM 996 OE2 GLU A 65 6.881 -5.696 -14.600 1.00 0.00 O ATOM 0 H GLU A 65 4.540 -6.209 -10.346 1.00 0.00 H new ATOM 0 HA GLU A 65 2.315 -6.195 -12.255 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.049 -7.568 -12.117 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.009 -7.461 -13.524 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.331 -4.797 -13.017 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.835 -5.395 -12.344 1.00 0.00 H new ATOM 1003 N THR A 66 2.786 -8.451 -10.027 1.00 0.00 N ATOM 1004 CA THR A 66 2.196 -9.661 -9.459 1.00 0.00 C ATOM 1005 C THR A 66 1.425 -9.315 -8.185 1.00 0.00 C ATOM 1006 O THR A 66 0.513 -10.060 -7.821 1.00 0.00 O ATOM 1007 CB THR A 66 3.272 -10.729 -9.195 1.00 0.00 C ATOM 1008 OG1 THR A 66 4.279 -10.193 -8.379 1.00 0.00 O ATOM 1009 CG2 THR A 66 3.924 -11.212 -10.489 1.00 0.00 C ATOM 0 H THR A 66 3.465 -8.002 -9.413 1.00 0.00 H new ATOM 0 HA THR A 66 1.496 -10.083 -10.180 1.00 0.00 H new ATOM 0 HB THR A 66 2.778 -11.571 -8.711 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.962 -10.876 -8.211 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.677 -11.965 -10.258 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.164 -11.646 -11.139 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.396 -10.370 -10.995 1.00 0.00 H new ATOM 1017 N LEU A 67 1.744 -8.190 -7.534 1.00 0.00 N ATOM 1018 CA LEU A 67 1.076 -7.774 -6.304 1.00 0.00 C ATOM 1019 C LEU A 67 -0.344 -7.312 -6.601 1.00 0.00 C ATOM 1020 O LEU A 67 -0.623 -6.740 -7.659 1.00 0.00 O ATOM 1021 CB LEU A 67 1.838 -6.628 -5.611 1.00 0.00 C ATOM 1022 CG LEU A 67 3.144 -7.042 -4.908 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.804 -5.807 -4.283 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.905 -8.090 -3.821 1.00 0.00 C ATOM 0 H LEU A 67 2.471 -7.547 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 67 1.054 -8.637 -5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.070 -5.865 -6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.179 -6.167 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 67 3.797 -7.484 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.728 -6.101 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.027 -5.080 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.126 -5.361 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.854 -8.351 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.228 -7.686 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.462 -8.981 -4.266 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.256 -7.567 -5.661 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.641 -7.145 -5.818 1.00 0.00 C ATOM 1038 C LYS A 68 -2.719 -5.624 -5.637 1.00 0.00 C ATOM 1039 O LYS A 68 -1.931 -5.051 -4.881 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.548 -7.840 -4.790 1.00 0.00 C ATOM 1041 CG LYS A 68 -4.003 -9.228 -5.254 1.00 0.00 C ATOM 1042 CD LYS A 68 -5.058 -9.789 -4.291 1.00 0.00 C ATOM 1043 CE LYS A 68 -5.713 -11.075 -4.806 1.00 0.00 C ATOM 1044 NZ LYS A 68 -4.774 -12.211 -4.871 1.00 0.00 N ATOM 0 H LYS A 68 -1.059 -8.060 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.986 -7.423 -6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.015 -7.933 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.423 -7.218 -4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.416 -9.166 -6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.148 -9.902 -5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.593 -9.986 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.829 -9.036 -4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.548 -11.337 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.126 -10.894 -5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.271 -13.053 -5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.989 -11.977 -5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.398 -12.406 -3.921 1.00 0.00 H new ATOM 1058 N PRO A 69 -3.712 -4.955 -6.245 1.00 0.00 N ATOM 1059 CA PRO A 69 -3.892 -3.512 -6.124 1.00 0.00 C ATOM 1060 C PRO A 69 -4.167 -3.131 -4.674 1.00 0.00 C ATOM 1061 O PRO A 69 -3.724 -2.078 -4.224 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.030 -3.150 -7.078 1.00 0.00 C ATOM 1063 CG PRO A 69 -5.797 -4.458 -7.231 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.703 -5.515 -7.142 1.00 0.00 C ATOM 0 HA PRO A 69 -2.998 -2.952 -6.396 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.661 -2.361 -6.669 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.652 -2.792 -8.036 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.542 -4.582 -6.445 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.326 -4.505 -8.183 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.095 -6.457 -6.759 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.275 -5.723 -8.123 1.00 0.00 H new ATOM 1072 N SER A 70 -4.846 -3.999 -3.925 1.00 0.00 N ATOM 1073 CA SER A 70 -5.158 -3.789 -2.526 1.00 0.00 C ATOM 1074 C SER A 70 -3.883 -3.718 -1.684 1.00 0.00 C ATOM 1075 O SER A 70 -3.858 -3.051 -0.650 1.00 0.00 O ATOM 1076 CB SER A 70 -6.048 -4.943 -2.045 1.00 0.00 C ATOM 1077 OG SER A 70 -5.776 -6.138 -2.762 1.00 0.00 O ATOM 0 H SER A 70 -5.199 -4.884 -4.289 1.00 0.00 H new ATOM 0 HA SER A 70 -5.681 -2.840 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.886 -5.110 -0.980 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.097 -4.673 -2.169 1.00 0.00 H new ATOM 0 HG SER A 70 -6.356 -6.856 -2.433 1.00 0.00 H new ATOM 1083 N THR A 71 -2.821 -4.397 -2.113 1.00 0.00 N ATOM 1084 CA THR A 71 -1.547 -4.399 -1.420 1.00 0.00 C ATOM 1085 C THR A 71 -0.941 -3.018 -1.641 1.00 0.00 C ATOM 1086 O THR A 71 -0.583 -2.331 -0.684 1.00 0.00 O ATOM 1087 CB THR A 71 -0.676 -5.562 -1.935 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.425 -6.760 -1.840 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.621 -5.687 -1.139 1.00 0.00 C ATOM 0 H THR A 71 -2.827 -4.965 -2.960 1.00 0.00 H new ATOM 0 HA THR A 71 -1.641 -4.570 -0.348 1.00 0.00 H new ATOM 0 HB THR A 71 -0.401 -5.367 -2.972 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.825 -7.529 -1.934 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.209 -6.517 -1.530 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.193 -4.763 -1.228 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.388 -5.870 -0.090 1.00 0.00 H new ATOM 1097 N LEU A 72 -0.902 -2.575 -2.903 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.362 -1.277 -3.283 1.00 0.00 C ATOM 1099 C LEU A 72 -1.098 -0.147 -2.578 1.00 0.00 C ATOM 1100 O LEU A 72 -0.472 0.829 -2.190 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.426 -1.057 -4.797 1.00 0.00 C ATOM 1102 CG LEU A 72 0.135 -2.188 -5.669 1.00 0.00 C ATOM 1103 CD1 LEU A 72 0.099 -1.789 -7.144 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.546 -2.619 -5.251 1.00 0.00 C ATOM 0 H LEU A 72 -1.250 -3.118 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 72 0.683 -1.271 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.467 -0.893 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.115 -0.141 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.507 -3.056 -5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.500 -2.601 -7.750 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.930 -1.588 -7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.701 -0.893 -7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.890 -3.421 -5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.225 -1.770 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.528 -2.972 -4.220 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.405 -0.293 -2.350 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.247 0.695 -1.684 1.00 0.00 C ATOM 1118 C ARG A 73 -2.667 1.097 -0.323 1.00 0.00 C ATOM 1119 O ARG A 73 -2.721 2.272 0.045 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.666 0.103 -1.530 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.818 1.115 -1.615 1.00 0.00 C ATOM 1122 CD ARG A 73 -5.631 2.346 -0.728 1.00 0.00 C ATOM 1123 NE ARG A 73 -6.807 3.224 -0.711 1.00 0.00 N ATOM 1124 CZ ARG A 73 -7.890 3.100 0.061 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -8.095 2.041 0.832 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -8.782 4.077 0.060 1.00 0.00 N ATOM 0 H ARG A 73 -2.919 -1.127 -2.633 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.289 1.602 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.811 -0.652 -2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.725 -0.408 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.928 1.439 -2.650 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.747 0.617 -1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.410 2.024 0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.767 2.911 -1.078 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.796 4.013 -1.358 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.412 1.283 0.850 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.935 1.984 1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.634 4.902 -0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.617 4.006 0.641 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.117 0.147 0.432 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.559 0.460 1.746 1.00 0.00 C ATOM 1142 C GLU A 74 -0.147 1.017 1.650 1.00 0.00 C ATOM 1143 O GLU A 74 0.268 1.751 2.548 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.644 -0.758 2.663 1.00 0.00 C ATOM 1145 CG GLU A 74 -3.085 -0.926 3.156 1.00 0.00 C ATOM 1146 CD GLU A 74 -3.585 0.196 4.078 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -2.764 0.805 4.804 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -4.817 0.406 4.154 1.00 0.00 O ATOM 0 H GLU A 74 -2.046 -0.834 0.161 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.162 1.252 2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.325 -1.652 2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.970 -0.636 3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.745 -0.988 2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.165 -1.875 3.686 1.00 0.00 H new ATOM 1155 N LEU A 75 0.599 0.667 0.599 1.00 0.00 N ATOM 1156 CA LEU A 75 1.947 1.187 0.388 1.00 0.00 C ATOM 1157 C LEU A 75 1.729 2.673 0.083 1.00 0.00 C ATOM 1158 O LEU A 75 2.328 3.529 0.725 1.00 0.00 O ATOM 1159 CB LEU A 75 2.666 0.445 -0.744 1.00 0.00 C ATOM 1160 CG LEU A 75 2.765 -1.084 -0.590 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.375 -1.718 -1.843 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.610 -1.480 0.617 1.00 0.00 C ATOM 0 H LEU A 75 0.286 0.019 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 75 2.597 1.046 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.152 0.664 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.675 0.848 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 75 1.748 -1.449 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.435 -2.798 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.750 -1.492 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.375 -1.316 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.654 -2.567 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.618 -1.083 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.162 -1.074 1.524 1.00 0.00 H new ATOM 1174 N GLU A 76 0.792 2.965 -0.826 1.00 0.00 N ATOM 1175 CA GLU A 76 0.349 4.288 -1.243 1.00 0.00 C ATOM 1176 C GLU A 76 -0.005 5.090 0.008 1.00 0.00 C ATOM 1177 O GLU A 76 0.451 6.219 0.164 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.859 4.126 -2.182 1.00 0.00 C ATOM 1179 CG GLU A 76 -1.809 5.331 -2.241 1.00 0.00 C ATOM 1180 CD GLU A 76 -1.151 6.612 -2.745 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -0.603 6.573 -3.875 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -1.309 7.667 -2.088 1.00 0.00 O ATOM 0 H GLU A 76 0.292 2.227 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 76 1.129 4.823 -1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.492 3.924 -3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.428 3.251 -1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.650 5.087 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.215 5.510 -1.246 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.815 4.520 0.910 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.205 5.216 2.122 1.00 0.00 C ATOM 1191 C ARG A 77 0.022 5.582 2.943 1.00 0.00 C ATOM 1192 O ARG A 77 0.138 6.727 3.377 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.191 4.382 2.952 1.00 0.00 C ATOM 1194 CG ARG A 77 -2.865 5.330 3.948 1.00 0.00 C ATOM 1195 CD ARG A 77 -3.603 4.628 5.095 1.00 0.00 C ATOM 1196 NE ARG A 77 -4.235 5.598 6.014 1.00 0.00 N ATOM 1197 CZ ARG A 77 -3.617 6.437 6.859 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -2.290 6.483 6.942 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -4.341 7.240 7.627 1.00 0.00 N ATOM 0 H ARG A 77 -1.206 3.583 0.815 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.714 6.136 1.834 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.933 3.911 2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.670 3.581 3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.108 5.991 4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.573 5.960 3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.365 3.965 4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.903 4.004 5.650 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.254 5.633 6.005 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.721 5.872 6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.842 7.129 7.592 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.359 7.216 7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.880 7.881 8.272 1.00 0.00 H new ATOM 1213 N TYR A 78 0.921 4.625 3.154 1.00 0.00 N ATOM 1214 CA TYR A 78 2.130 4.834 3.928 1.00 0.00 C ATOM 1215 C TYR A 78 2.988 5.961 3.344 1.00 0.00 C ATOM 1216 O TYR A 78 3.328 6.900 4.076 1.00 0.00 O ATOM 1217 CB TYR A 78 2.888 3.509 4.061 1.00 0.00 C ATOM 1218 CG TYR A 78 4.219 3.624 4.772 1.00 0.00 C ATOM 1219 CD1 TYR A 78 4.304 4.306 6.000 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.375 3.063 4.197 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.540 4.431 6.649 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.608 3.154 4.865 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.693 3.832 6.097 1.00 0.00 C ATOM 1224 OH TYR A 78 7.884 3.914 6.743 1.00 0.00 O ATOM 0 H TYR A 78 0.826 3.678 2.788 1.00 0.00 H new ATOM 0 HA TYR A 78 1.862 5.165 4.931 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.262 2.798 4.599 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.055 3.097 3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.416 4.733 6.443 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.314 2.562 3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.610 4.986 7.573 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.490 2.704 4.434 1.00 0.00 H new ATOM 0 HH TYR A 78 8.533 3.323 6.308 1.00 0.00 H new ATOM 1234 N VAL A 79 3.320 5.914 2.048 1.00 0.00 N ATOM 1235 CA VAL A 79 4.137 6.955 1.439 1.00 0.00 C ATOM 1236 C VAL A 79 3.403 8.294 1.482 1.00 0.00 C ATOM 1237 O VAL A 79 4.000 9.285 1.896 1.00 0.00 O ATOM 1238 CB VAL A 79 4.630 6.572 0.029 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.406 5.251 0.059 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.543 6.445 -1.044 1.00 0.00 C ATOM 0 H VAL A 79 3.035 5.170 1.411 1.00 0.00 H new ATOM 0 HA VAL A 79 5.047 7.064 2.029 1.00 0.00 H new ATOM 0 HB VAL A 79 5.262 7.414 -0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.742 5.004 -0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.270 5.351 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.758 4.457 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.001 6.173 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.830 5.674 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.024 7.398 -1.151 1.00 0.00 H new ATOM 1250 N THR A 80 2.115 8.343 1.143 1.00 0.00 N ATOM 1251 CA THR A 80 1.357 9.582 1.167 1.00 0.00 C ATOM 1252 C THR A 80 1.174 10.092 2.597 1.00 0.00 C ATOM 1253 O THR A 80 0.966 11.281 2.782 1.00 0.00 O ATOM 1254 CB THR A 80 0.056 9.385 0.371 1.00 0.00 C ATOM 1255 OG1 THR A 80 0.414 9.287 -0.992 1.00 0.00 O ATOM 1256 CG2 THR A 80 -0.975 10.515 0.490 1.00 0.00 C ATOM 0 H THR A 80 1.576 7.529 0.847 1.00 0.00 H new ATOM 0 HA THR A 80 1.906 10.383 0.671 1.00 0.00 H new ATOM 0 HB THR A 80 -0.422 8.497 0.784 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.112 8.579 -1.418 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.852 10.272 -0.111 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.270 10.630 1.533 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.537 11.447 0.132 1.00 0.00 H new ATOM 1264 N SER A 81 1.293 9.266 3.629 1.00 0.00 N ATOM 1265 CA SER A 81 1.150 9.713 5.003 1.00 0.00 C ATOM 1266 C SER A 81 2.456 10.411 5.399 1.00 0.00 C ATOM 1267 O SER A 81 2.427 11.523 5.929 1.00 0.00 O ATOM 1268 CB SER A 81 0.839 8.487 5.876 1.00 0.00 C ATOM 1269 OG SER A 81 0.732 8.787 7.251 1.00 0.00 O ATOM 0 H SER A 81 1.491 8.270 3.534 1.00 0.00 H new ATOM 0 HA SER A 81 0.333 10.423 5.134 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.094 8.037 5.537 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.622 7.742 5.735 1.00 0.00 H new ATOM 0 HG SER A 81 0.532 7.968 7.750 1.00 0.00 H new ATOM 1275 N CYS A 82 3.599 9.783 5.106 1.00 0.00 N ATOM 1276 CA CYS A 82 4.916 10.308 5.430 1.00 0.00 C ATOM 1277 C CYS A 82 5.328 11.506 4.569 1.00 0.00 C ATOM 1278 O CYS A 82 5.767 12.526 5.098 1.00 0.00 O ATOM 1279 CB CYS A 82 5.963 9.197 5.250 1.00 0.00 C ATOM 1280 SG CYS A 82 5.629 7.798 6.358 1.00 0.00 S ATOM 0 H CYS A 82 3.628 8.882 4.629 1.00 0.00 H new ATOM 0 HA CYS A 82 4.865 10.653 6.463 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.960 8.854 4.215 1.00 0.00 H new ATOM 0 HB3 CYS A 82 6.958 9.595 5.451 1.00 0.00 H new ATOM 0 HG CYS A 82 5.674 6.689 5.682 1.00 0.00 H new ATOM 1286 N LEU A 83 5.244 11.363 3.248 1.00 0.00 N ATOM 1287 CA LEU A 83 5.635 12.368 2.266 1.00 0.00 C ATOM 1288 C LEU A 83 4.538 13.389 1.989 1.00 0.00 C ATOM 1289 O LEU A 83 4.831 14.585 1.894 1.00 0.00 O ATOM 1290 CB LEU A 83 6.022 11.678 0.942 1.00 0.00 C ATOM 1291 CG LEU A 83 6.992 10.483 1.067 1.00 0.00 C ATOM 1292 CD1 LEU A 83 7.174 9.850 -0.310 1.00 0.00 C ATOM 1293 CD2 LEU A 83 8.361 10.872 1.634 1.00 0.00 C ATOM 0 H LEU A 83 4.888 10.510 2.817 1.00 0.00 H new ATOM 0 HA LEU A 83 6.484 12.905 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.111 11.333 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.473 12.421 0.285 1.00 0.00 H new ATOM 0 HG LEU A 83 6.550 9.778 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.858 9.004 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.209 9.505 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.585 10.588 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.994 9.987 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.829 11.608 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.235 11.298 2.629 1.00 0.00 H new