USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 656 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 61 ASN : amide:sc= 0 X(o=0.68,f=0.68) USER MOD Set 1.2: A 63 SER OG : rot 37:sc= 0.685 USER MOD Set 2.1: A 42 LYS NZ :NH3+ -141:sc= 1.01 (180deg=-1.38!) USER MOD Set 2.2: A 46 ASN : amide:sc= -0.361 K(o=0.65,f=-1.5) USER MOD Set 3.1: A 37 GLN : amide:sc= -2.44 K(o=-2.4,f=-9.9!) USER MOD Set 3.2: A 53 CYS SG : rot 180:sc= 0 USER MOD Set 4.1: A 27 GLN : amide:sc= -0.327 K(o=-0.36,f=0.58) USER MOD Set 4.2: A 59 LYS NZ :NH3+ 145:sc= -0.0294 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -163:sc= 0.0328 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -108:sc= -2.91! (180deg=-4.04!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -119:sc= 0.977 (180deg=-0.638) USER MOD Single : A 36 SER OG : rot 180:sc= -0.302 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1 K(o=-1,f=-3.6!) USER MOD Single : A 66 ASN : amide:sc= -2.55 X(o=-2.5,f=-3) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00981 USER MOD Single : A 72 ASN : amide:sc= -1.47 X(o=-1.5,f=-1) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.511 K(o=0.51,f=-0.31) USER MOD Single : A 84 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.13) USER MOD Single : A 85 HIS : no HD1:sc= -4.68! C(o=-4.7!,f=-5.4!) USER MOD Single : A 91 TYR OH : rot 48:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 16 5.007 5.425 -12.914 1.00 0.00 N ATOM 181 CA ILE A 16 4.270 5.584 -11.666 1.00 0.00 C ATOM 182 C ILE A 16 4.802 6.764 -10.860 1.00 0.00 C ATOM 183 O ILE A 16 6.011 6.973 -10.771 1.00 0.00 O ATOM 184 CB ILE A 16 4.344 4.312 -10.802 1.00 0.00 C ATOM 185 CG1 ILE A 16 3.821 3.106 -11.586 1.00 0.00 C ATOM 186 CG2 ILE A 16 3.554 4.498 -9.516 1.00 0.00 C ATOM 187 CD1 ILE A 16 4.142 1.778 -10.937 1.00 0.00 C ATOM 0 HA ILE A 16 3.230 5.770 -11.935 1.00 0.00 H new ATOM 0 HB ILE A 16 5.386 4.128 -10.541 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.740 3.195 -11.696 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.246 3.123 -12.589 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.616 3.590 -8.916 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.968 5.334 -8.952 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.511 4.703 -9.756 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.741 0.969 -11.547 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.223 1.667 -10.851 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.694 1.740 -9.944 1.00 0.00 H new ATOM 199 N ASN A 17 3.890 7.532 -10.272 1.00 0.00 N ATOM 200 CA ASN A 17 4.267 8.691 -9.471 1.00 0.00 C ATOM 201 C ASN A 17 3.996 8.441 -7.991 1.00 0.00 C ATOM 202 O ASN A 17 2.848 8.477 -7.546 1.00 0.00 O ATOM 203 CB ASN A 17 3.503 9.931 -9.939 1.00 0.00 C ATOM 204 CG ASN A 17 4.278 11.212 -9.699 1.00 0.00 C ATOM 205 OD1 ASN A 17 4.863 11.406 -8.634 1.00 0.00 O ATOM 206 ND2 ASN A 17 4.284 12.094 -10.691 1.00 0.00 N ATOM 0 H ASN A 17 2.885 7.372 -10.335 1.00 0.00 H new ATOM 0 HA ASN A 17 5.336 8.860 -9.603 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.281 9.838 -11.002 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.548 9.984 -9.417 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.788 12.975 -10.587 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.785 11.891 -11.557 1.00 0.00 H new ATOM 213 N ILE A 18 5.059 8.188 -7.235 1.00 0.00 N ATOM 214 CA ILE A 18 4.935 7.934 -5.805 1.00 0.00 C ATOM 215 C ILE A 18 4.843 9.239 -5.020 1.00 0.00 C ATOM 216 O ILE A 18 5.499 10.226 -5.356 1.00 0.00 O ATOM 217 CB ILE A 18 6.124 7.112 -5.274 1.00 0.00 C ATOM 218 CG1 ILE A 18 6.376 5.900 -6.173 1.00 0.00 C ATOM 219 CG2 ILE A 18 5.865 6.670 -3.841 1.00 0.00 C ATOM 220 CD1 ILE A 18 5.282 4.857 -6.103 1.00 0.00 C ATOM 0 H ILE A 18 6.015 8.153 -7.589 1.00 0.00 H new ATOM 0 HA ILE A 18 4.017 7.363 -5.665 1.00 0.00 H new ATOM 0 HB ILE A 18 7.014 7.741 -5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.479 6.238 -7.204 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.324 5.440 -5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.714 6.090 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.729 7.547 -3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.965 6.056 -3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.528 4.027 -6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.193 4.491 -5.080 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.336 5.301 -6.413 1.00 0.00 H new ATOM 232 N THR A 19 4.026 9.237 -3.972 1.00 0.00 N ATOM 233 CA THR A 19 3.848 10.419 -3.139 1.00 0.00 C ATOM 234 C THR A 19 3.678 10.038 -1.672 1.00 0.00 C ATOM 235 O THR A 19 3.195 8.952 -1.356 1.00 0.00 O ATOM 236 CB THR A 19 2.628 11.245 -3.588 1.00 0.00 C ATOM 237 OG1 THR A 19 1.442 10.445 -3.514 1.00 0.00 O ATOM 238 CG2 THR A 19 2.813 11.756 -5.008 1.00 0.00 C ATOM 0 H THR A 19 3.477 8.429 -3.680 1.00 0.00 H new ATOM 0 HA THR A 19 4.748 11.023 -3.253 1.00 0.00 H new ATOM 0 HB THR A 19 2.531 12.102 -2.921 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.670 10.977 -3.799 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.939 12.336 -5.303 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.700 12.387 -5.055 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.933 10.911 -5.686 1.00 0.00 H new ATOM 246 N ALA A 20 4.078 10.940 -0.782 1.00 0.00 N ATOM 247 CA ALA A 20 3.968 10.698 0.652 1.00 0.00 C ATOM 248 C ALA A 20 2.607 10.108 1.006 1.00 0.00 C ATOM 249 O ALA A 20 2.497 9.267 1.896 1.00 0.00 O ATOM 250 CB ALA A 20 4.203 11.988 1.424 1.00 0.00 C ATOM 0 H ALA A 20 4.481 11.844 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 20 4.733 9.974 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.118 11.793 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.200 12.368 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.459 12.729 1.130 1.00 0.00 H new ATOM 256 N ALA A 21 1.572 10.556 0.302 1.00 0.00 N ATOM 257 CA ALA A 21 0.218 10.071 0.542 1.00 0.00 C ATOM 258 C ALA A 21 0.190 8.550 0.646 1.00 0.00 C ATOM 259 O ALA A 21 -0.562 7.987 1.441 1.00 0.00 O ATOM 260 CB ALA A 21 -0.715 10.544 -0.563 1.00 0.00 C ATOM 0 H ALA A 21 1.645 11.254 -0.439 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.125 10.480 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.723 10.175 -0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.726 11.634 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.365 10.163 -1.522 1.00 0.00 H new ATOM 266 N ILE A 22 1.014 7.891 -0.162 1.00 0.00 N ATOM 267 CA ILE A 22 1.084 6.435 -0.160 1.00 0.00 C ATOM 268 C ILE A 22 0.982 5.883 1.258 1.00 0.00 C ATOM 269 O ILE A 22 0.344 4.855 1.490 1.00 0.00 O ATOM 270 CB ILE A 22 2.390 5.933 -0.802 1.00 0.00 C ATOM 271 CG1 ILE A 22 2.397 4.404 -0.866 1.00 0.00 C ATOM 272 CG2 ILE A 22 3.594 6.441 -0.021 1.00 0.00 C ATOM 273 CD1 ILE A 22 3.202 3.852 -2.023 1.00 0.00 C ATOM 0 H ILE A 22 1.643 8.343 -0.826 1.00 0.00 H new ATOM 0 HA ILE A 22 0.239 6.077 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 22 2.451 6.321 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.800 4.011 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.370 4.047 -0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.510 6.078 -0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.594 7.531 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.541 6.079 1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.163 2.763 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.786 4.216 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.238 4.179 -1.934 1.00 0.00 H new ATOM 285 N TYR A 23 1.613 6.571 2.202 1.00 0.00 N ATOM 286 CA TYR A 23 1.594 6.149 3.598 1.00 0.00 C ATOM 287 C TYR A 23 0.175 6.182 4.158 1.00 0.00 C ATOM 288 O TYR A 23 -0.283 5.221 4.776 1.00 0.00 O ATOM 289 CB TYR A 23 2.506 7.047 4.436 1.00 0.00 C ATOM 290 CG TYR A 23 3.954 7.012 4.003 1.00 0.00 C ATOM 291 CD1 TYR A 23 4.675 5.824 4.015 1.00 0.00 C ATOM 292 CD2 TYR A 23 4.601 8.167 3.581 1.00 0.00 C ATOM 293 CE1 TYR A 23 5.998 5.789 3.620 1.00 0.00 C ATOM 294 CE2 TYR A 23 5.923 8.140 3.183 1.00 0.00 C ATOM 295 CZ TYR A 23 6.618 6.949 3.205 1.00 0.00 C ATOM 296 OH TYR A 23 7.936 6.917 2.810 1.00 0.00 O ATOM 0 H TYR A 23 2.144 7.424 2.027 1.00 0.00 H new ATOM 0 HA TYR A 23 1.960 5.124 3.646 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.143 8.073 4.379 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.440 6.743 5.481 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.193 4.913 4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.061 9.102 3.564 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.544 4.858 3.636 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.410 9.047 2.856 1.00 0.00 H new ATOM 0 HH TYR A 23 8.301 7.826 2.815 1.00 0.00 H new ATOM 306 N ASP A 24 -0.516 7.295 3.936 1.00 0.00 N ATOM 307 CA ASP A 24 -1.884 7.455 4.416 1.00 0.00 C ATOM 308 C ASP A 24 -2.783 6.348 3.873 1.00 0.00 C ATOM 309 O ASP A 24 -3.510 5.701 4.627 1.00 0.00 O ATOM 310 CB ASP A 24 -2.434 8.822 4.007 1.00 0.00 C ATOM 311 CG ASP A 24 -2.086 9.908 5.005 1.00 0.00 C ATOM 312 OD1 ASP A 24 -2.207 9.656 6.223 1.00 0.00 O ATOM 313 OD2 ASP A 24 -1.692 11.010 4.570 1.00 0.00 O ATOM 0 H ASP A 24 -0.151 8.100 3.427 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.872 7.388 5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.038 9.092 3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.517 8.759 3.906 1.00 0.00 H new ATOM 318 N GLU A 25 -2.727 6.136 2.562 1.00 0.00 N ATOM 319 CA GLU A 25 -3.538 5.109 1.920 1.00 0.00 C ATOM 320 C GLU A 25 -3.348 3.758 2.605 1.00 0.00 C ATOM 321 O GLU A 25 -4.291 2.976 2.730 1.00 0.00 O ATOM 322 CB GLU A 25 -3.177 4.996 0.437 1.00 0.00 C ATOM 323 CG GLU A 25 -3.250 6.317 -0.310 1.00 0.00 C ATOM 324 CD GLU A 25 -3.612 6.142 -1.772 1.00 0.00 C ATOM 325 OE1 GLU A 25 -2.706 5.838 -2.575 1.00 0.00 O ATOM 326 OE2 GLU A 25 -4.802 6.308 -2.112 1.00 0.00 O ATOM 0 H GLU A 25 -2.129 6.661 1.924 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.585 5.399 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.168 4.593 0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.849 4.282 -0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.988 6.960 0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.289 6.825 -0.236 1.00 0.00 H new ATOM 333 N ILE A 26 -2.123 3.493 3.046 1.00 0.00 N ATOM 334 CA ILE A 26 -1.810 2.238 3.719 1.00 0.00 C ATOM 335 C ILE A 26 -2.528 2.139 5.060 1.00 0.00 C ATOM 336 O ILE A 26 -3.020 1.074 5.434 1.00 0.00 O ATOM 337 CB ILE A 26 -0.295 2.086 3.948 1.00 0.00 C ATOM 338 CG1 ILE A 26 0.447 2.071 2.610 1.00 0.00 C ATOM 339 CG2 ILE A 26 -0.003 0.817 4.736 1.00 0.00 C ATOM 340 CD1 ILE A 26 1.881 2.542 2.709 1.00 0.00 C ATOM 0 H ILE A 26 -1.332 4.129 2.950 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.153 1.435 3.066 1.00 0.00 H new ATOM 0 HB ILE A 26 0.057 2.940 4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.433 1.058 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.087 2.704 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.072 0.724 4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.505 0.865 5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.367 -0.048 4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.345 2.505 1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.903 3.566 3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.430 1.895 3.393 1.00 0.00 H new ATOM 352 N GLN A 27 -2.587 3.256 5.778 1.00 0.00 N ATOM 353 CA GLN A 27 -3.247 3.295 7.077 1.00 0.00 C ATOM 354 C GLN A 27 -4.733 2.979 6.943 1.00 0.00 C ATOM 355 O GLN A 27 -5.280 2.186 7.709 1.00 0.00 O ATOM 356 CB GLN A 27 -3.061 4.667 7.726 1.00 0.00 C ATOM 357 CG GLN A 27 -1.605 5.053 7.927 1.00 0.00 C ATOM 358 CD GLN A 27 -1.436 6.219 8.882 1.00 0.00 C ATOM 359 OE1 GLN A 27 -1.537 6.059 10.099 1.00 0.00 O ATOM 360 NE2 GLN A 27 -1.178 7.401 8.334 1.00 0.00 N ATOM 0 H GLN A 27 -2.186 4.146 5.482 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.789 2.536 7.712 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.546 5.421 7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.567 4.674 8.692 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.055 4.193 8.309 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.165 5.311 6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.103 7.488 7.320 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.055 8.222 8.927 1.00 0.00 H new ATOM 369 N GLN A 28 -5.379 3.605 5.965 1.00 0.00 N ATOM 370 CA GLN A 28 -6.803 3.392 5.732 1.00 0.00 C ATOM 371 C GLN A 28 -7.054 2.015 5.125 1.00 0.00 C ATOM 372 O GLN A 28 -7.911 1.267 5.595 1.00 0.00 O ATOM 373 CB GLN A 28 -7.359 4.478 4.809 1.00 0.00 C ATOM 374 CG GLN A 28 -7.263 5.879 5.392 1.00 0.00 C ATOM 375 CD GLN A 28 -8.077 6.892 4.612 1.00 0.00 C ATOM 376 OE1 GLN A 28 -9.285 7.023 4.814 1.00 0.00 O ATOM 377 NE2 GLN A 28 -7.418 7.617 3.715 1.00 0.00 N ATOM 0 H GLN A 28 -4.940 4.263 5.321 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.315 3.445 6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.820 4.450 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.403 4.256 4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.606 5.862 6.427 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.219 6.192 5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.417 7.475 3.581 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.913 8.316 3.161 1.00 0.00 H new ATOM 386 N GLU A 29 -6.302 1.689 4.079 1.00 0.00 N ATOM 387 CA GLU A 29 -6.445 0.402 3.408 1.00 0.00 C ATOM 388 C GLU A 29 -6.572 -0.730 4.423 1.00 0.00 C ATOM 389 O GLU A 29 -7.355 -1.661 4.236 1.00 0.00 O ATOM 390 CB GLU A 29 -5.250 0.145 2.488 1.00 0.00 C ATOM 391 CG GLU A 29 -5.378 -1.124 1.663 1.00 0.00 C ATOM 392 CD GLU A 29 -6.746 -1.270 1.025 1.00 0.00 C ATOM 393 OE1 GLU A 29 -7.368 -0.234 0.710 1.00 0.00 O ATOM 394 OE2 GLU A 29 -7.194 -2.421 0.842 1.00 0.00 O ATOM 0 H GLU A 29 -5.588 2.297 3.678 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.355 0.433 2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.131 0.995 1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.344 0.086 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.616 -1.125 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.184 -1.988 2.299 1.00 0.00 H new ATOM 401 N MET A 30 -5.796 -0.642 5.498 1.00 0.00 N ATOM 402 CA MET A 30 -5.822 -1.659 6.544 1.00 0.00 C ATOM 403 C MET A 30 -7.195 -1.723 7.205 1.00 0.00 C ATOM 404 O MET A 30 -7.825 -2.780 7.250 1.00 0.00 O ATOM 405 CB MET A 30 -4.750 -1.366 7.595 1.00 0.00 C ATOM 406 CG MET A 30 -3.413 -2.028 7.300 1.00 0.00 C ATOM 407 SD MET A 30 -2.159 -1.643 8.538 1.00 0.00 S ATOM 408 CE MET A 30 -1.616 -0.030 7.979 1.00 0.00 C ATOM 0 H MET A 30 -5.142 0.122 5.668 1.00 0.00 H new ATOM 0 HA MET A 30 -5.615 -2.625 6.083 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.605 -0.288 7.664 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.106 -1.702 8.569 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.550 -3.108 7.251 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.061 -1.706 6.320 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.618 -0.111 7.548 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.308 0.346 7.225 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.591 0.658 8.824 1.00 0.00 H new ATOM 418 N LYS A 31 -7.653 -0.587 7.719 1.00 0.00 N ATOM 419 CA LYS A 31 -8.952 -0.513 8.378 1.00 0.00 C ATOM 420 C LYS A 31 -10.078 -0.832 7.399 1.00 0.00 C ATOM 421 O LYS A 31 -11.149 -1.289 7.798 1.00 0.00 O ATOM 422 CB LYS A 31 -9.164 0.878 8.979 1.00 0.00 C ATOM 423 CG LYS A 31 -9.848 1.851 8.034 1.00 0.00 C ATOM 424 CD LYS A 31 -11.361 1.762 8.141 1.00 0.00 C ATOM 425 CE LYS A 31 -11.904 2.728 9.183 1.00 0.00 C ATOM 426 NZ LYS A 31 -13.382 2.883 9.078 1.00 0.00 N ATOM 0 H LYS A 31 -7.144 0.296 7.692 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.968 -1.254 9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.761 0.785 9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.198 1.289 9.273 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.526 2.867 8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.542 1.640 7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.809 1.981 7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.649 0.744 8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.646 2.370 10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.427 3.700 9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.714 3.549 9.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.627 3.249 8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.839 1.960 9.220 1.00 0.00 H new ATOM 440 N ARG A 32 -9.826 -0.591 6.116 1.00 0.00 N ATOM 441 CA ARG A 32 -10.819 -0.853 5.081 1.00 0.00 C ATOM 442 C ARG A 32 -10.821 -2.328 4.691 1.00 0.00 C ATOM 443 O ARG A 32 -11.870 -2.902 4.402 1.00 0.00 O ATOM 444 CB ARG A 32 -10.542 0.011 3.849 1.00 0.00 C ATOM 445 CG ARG A 32 -11.796 0.398 3.082 1.00 0.00 C ATOM 446 CD ARG A 32 -12.382 1.704 3.593 1.00 0.00 C ATOM 447 NE ARG A 32 -13.777 1.872 3.194 1.00 0.00 N ATOM 448 CZ ARG A 32 -14.585 2.788 3.715 1.00 0.00 C ATOM 449 NH1 ARG A 32 -14.140 3.614 4.652 1.00 0.00 N ATOM 450 NH2 ARG A 32 -15.842 2.879 3.300 1.00 0.00 N ATOM 0 H ARG A 32 -8.944 -0.215 5.769 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.801 -0.599 5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.023 0.917 4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.870 -0.528 3.181 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.560 0.494 2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.538 -0.395 3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.310 1.733 4.680 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.793 2.539 3.213 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.151 1.252 2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.175 3.547 4.974 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.763 4.317 5.050 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.189 2.245 2.580 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.462 3.583 3.701 1.00 0.00 H new ATOM 464 N ALA A 33 -9.638 -2.934 4.683 1.00 0.00 N ATOM 465 CA ALA A 33 -9.504 -4.342 4.330 1.00 0.00 C ATOM 466 C ALA A 33 -9.590 -5.229 5.568 1.00 0.00 C ATOM 467 O ALA A 33 -9.755 -6.445 5.463 1.00 0.00 O ATOM 468 CB ALA A 33 -8.191 -4.580 3.599 1.00 0.00 C ATOM 0 H ALA A 33 -8.759 -2.472 4.917 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.329 -4.605 3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.104 -5.636 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.168 -3.981 2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.359 -4.294 4.243 1.00 0.00 H new ATOM 474 N LYS A 34 -9.477 -4.614 6.740 1.00 0.00 N ATOM 475 CA LYS A 34 -9.542 -5.347 7.999 1.00 0.00 C ATOM 476 C LYS A 34 -8.281 -6.177 8.211 1.00 0.00 C ATOM 477 O LYS A 34 -8.348 -7.326 8.647 1.00 0.00 O ATOM 478 CB LYS A 34 -10.773 -6.256 8.020 1.00 0.00 C ATOM 479 CG LYS A 34 -12.005 -5.627 7.392 1.00 0.00 C ATOM 480 CD LYS A 34 -12.766 -4.773 8.393 1.00 0.00 C ATOM 481 CE LYS A 34 -11.851 -3.769 9.078 1.00 0.00 C ATOM 482 NZ LYS A 34 -12.611 -2.613 9.629 1.00 0.00 N ATOM 0 H LYS A 34 -9.340 -3.609 6.844 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.619 -4.622 8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.540 -7.182 7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.998 -6.524 9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.708 -5.014 6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.659 -6.410 7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.572 -4.244 7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.230 -5.415 9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.307 -4.263 9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.108 -3.409 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.286 -1.736 9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.626 -2.744 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.453 -2.551 10.655 1.00 0.00 H new ATOM 496 N VAL A 35 -7.130 -5.587 7.902 1.00 0.00 N ATOM 497 CA VAL A 35 -5.853 -6.271 8.062 1.00 0.00 C ATOM 498 C VAL A 35 -4.903 -5.464 8.939 1.00 0.00 C ATOM 499 O VAL A 35 -5.224 -4.353 9.362 1.00 0.00 O ATOM 500 CB VAL A 35 -5.181 -6.531 6.700 1.00 0.00 C ATOM 501 CG1 VAL A 35 -6.146 -7.229 5.754 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.678 -5.229 6.097 1.00 0.00 C ATOM 0 H VAL A 35 -7.057 -4.636 7.539 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.064 -7.226 8.543 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.324 -7.187 6.856 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.654 -7.405 4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.452 -8.182 6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.024 -6.601 5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.206 -5.432 5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.516 -4.547 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.951 -4.774 6.769 1.00 0.00 H new ATOM 512 N SER A 36 -3.730 -6.028 9.208 1.00 0.00 N ATOM 513 CA SER A 36 -2.733 -5.362 10.038 1.00 0.00 C ATOM 514 C SER A 36 -1.548 -4.899 9.196 1.00 0.00 C ATOM 515 O SER A 36 -1.376 -5.331 8.056 1.00 0.00 O ATOM 516 CB SER A 36 -2.250 -6.301 11.145 1.00 0.00 C ATOM 517 OG SER A 36 -0.955 -5.940 11.592 1.00 0.00 O ATOM 0 H SER A 36 -3.447 -6.945 8.863 1.00 0.00 H new ATOM 0 HA SER A 36 -3.199 -4.487 10.491 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.948 -6.271 11.982 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.238 -7.327 10.776 1.00 0.00 H new ATOM 0 HG SER A 36 -0.670 -6.554 12.300 1.00 0.00 H new ATOM 523 N GLN A 37 -0.733 -4.017 9.767 1.00 0.00 N ATOM 524 CA GLN A 37 0.435 -3.494 9.069 1.00 0.00 C ATOM 525 C GLN A 37 1.308 -4.629 8.542 1.00 0.00 C ATOM 526 O GLN A 37 1.949 -4.498 7.500 1.00 0.00 O ATOM 527 CB GLN A 37 1.253 -2.598 10.001 1.00 0.00 C ATOM 528 CG GLN A 37 0.415 -1.888 11.052 1.00 0.00 C ATOM 529 CD GLN A 37 0.996 -0.547 11.454 1.00 0.00 C ATOM 530 OE1 GLN A 37 1.865 -0.004 10.771 1.00 0.00 O ATOM 531 NE2 GLN A 37 0.519 -0.004 12.568 1.00 0.00 N ATOM 0 H GLN A 37 -0.860 -3.650 10.710 1.00 0.00 H new ATOM 0 HA GLN A 37 0.086 -2.904 8.221 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.011 -3.202 10.500 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.781 -1.853 9.405 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.595 -1.742 10.668 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.332 -2.523 11.934 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.201 -0.488 13.104 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.873 0.898 12.888 1.00 0.00 H new ATOM 540 N ALA A 38 1.326 -5.741 9.269 1.00 0.00 N ATOM 541 CA ALA A 38 2.118 -6.899 8.873 1.00 0.00 C ATOM 542 C ALA A 38 1.548 -7.551 7.618 1.00 0.00 C ATOM 543 O ALA A 38 2.280 -7.849 6.674 1.00 0.00 O ATOM 544 CB ALA A 38 2.183 -7.907 10.011 1.00 0.00 C ATOM 0 H ALA A 38 0.801 -5.865 10.135 1.00 0.00 H new ATOM 0 HA ALA A 38 3.128 -6.557 8.646 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.777 -8.767 9.702 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.643 -7.442 10.883 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.175 -8.235 10.264 1.00 0.00 H new ATOM 550 N LEU A 39 0.238 -7.771 7.614 1.00 0.00 N ATOM 551 CA LEU A 39 -0.431 -8.389 6.474 1.00 0.00 C ATOM 552 C LEU A 39 -0.299 -7.519 5.228 1.00 0.00 C ATOM 553 O LEU A 39 0.320 -7.919 4.242 1.00 0.00 O ATOM 554 CB LEU A 39 -1.909 -8.624 6.791 1.00 0.00 C ATOM 555 CG LEU A 39 -2.680 -9.489 5.794 1.00 0.00 C ATOM 556 CD1 LEU A 39 -3.077 -8.673 4.574 1.00 0.00 C ATOM 557 CD2 LEU A 39 -1.850 -10.697 5.382 1.00 0.00 C ATOM 0 H LEU A 39 -0.382 -7.531 8.387 1.00 0.00 H new ATOM 0 HA LEU A 39 0.049 -9.348 6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.980 -9.088 7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.404 -7.655 6.859 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.589 -9.845 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.625 -9.306 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.710 -7.841 4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.181 -8.287 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.415 -11.301 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.924 -10.360 4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.616 -11.295 6.263 1.00 0.00 H new ATOM 569 N PHE A 40 -0.882 -6.326 5.281 1.00 0.00 N ATOM 570 CA PHE A 40 -0.828 -5.399 4.157 1.00 0.00 C ATOM 571 C PHE A 40 0.589 -5.302 3.598 1.00 0.00 C ATOM 572 O PHE A 40 0.787 -5.249 2.385 1.00 0.00 O ATOM 573 CB PHE A 40 -1.314 -4.013 4.588 1.00 0.00 C ATOM 574 CG PHE A 40 -1.061 -2.944 3.563 1.00 0.00 C ATOM 575 CD1 PHE A 40 0.230 -2.520 3.289 1.00 0.00 C ATOM 576 CD2 PHE A 40 -2.113 -2.363 2.875 1.00 0.00 C ATOM 577 CE1 PHE A 40 0.465 -1.536 2.348 1.00 0.00 C ATOM 578 CE2 PHE A 40 -1.884 -1.379 1.932 1.00 0.00 C ATOM 579 CZ PHE A 40 -0.593 -0.965 1.667 1.00 0.00 C ATOM 0 H PHE A 40 -1.397 -5.979 6.090 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.483 -5.779 3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.383 -4.060 4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.820 -3.737 5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.061 -2.964 3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.124 -2.683 3.078 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.475 -1.213 2.145 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.714 -0.934 1.403 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.411 -0.197 0.930 1.00 0.00 H new ATOM 589 N ALA A 41 1.571 -5.280 4.494 1.00 0.00 N ATOM 590 CA ALA A 41 2.969 -5.192 4.092 1.00 0.00 C ATOM 591 C ALA A 41 3.484 -6.539 3.596 1.00 0.00 C ATOM 592 O ALA A 41 4.466 -6.606 2.857 1.00 0.00 O ATOM 593 CB ALA A 41 3.821 -4.692 5.249 1.00 0.00 C ATOM 0 H ALA A 41 1.424 -5.322 5.502 1.00 0.00 H new ATOM 0 HA ALA A 41 3.040 -4.481 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.863 -4.631 4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.476 -3.704 5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.735 -5.382 6.089 1.00 0.00 H new ATOM 599 N LYS A 42 2.816 -7.610 4.009 1.00 0.00 N ATOM 600 CA LYS A 42 3.205 -8.957 3.607 1.00 0.00 C ATOM 601 C LYS A 42 2.634 -9.302 2.235 1.00 0.00 C ATOM 602 O LYS A 42 3.180 -10.139 1.517 1.00 0.00 O ATOM 603 CB LYS A 42 2.727 -9.978 4.642 1.00 0.00 C ATOM 604 CG LYS A 42 3.174 -11.399 4.346 1.00 0.00 C ATOM 605 CD LYS A 42 2.186 -12.118 3.442 1.00 0.00 C ATOM 606 CE LYS A 42 2.871 -13.193 2.611 1.00 0.00 C ATOM 607 NZ LYS A 42 3.540 -12.622 1.409 1.00 0.00 N ATOM 0 H LYS A 42 2.002 -7.572 4.622 1.00 0.00 H new ATOM 0 HA LYS A 42 4.293 -8.992 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.097 -9.687 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.638 -9.951 4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.156 -11.381 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.281 -11.950 5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.400 -12.570 4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.705 -11.397 2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.607 -13.712 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.136 -13.935 2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.410 -13.264 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.122 -11.696 1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.556 -12.506 1.599 1.00 0.00 H new ATOM 621 N VAL A 43 1.532 -8.650 1.877 1.00 0.00 N ATOM 622 CA VAL A 43 0.888 -8.886 0.590 1.00 0.00 C ATOM 623 C VAL A 43 1.208 -7.769 -0.397 1.00 0.00 C ATOM 624 O VAL A 43 1.063 -7.937 -1.608 1.00 0.00 O ATOM 625 CB VAL A 43 -0.640 -9.003 0.740 1.00 0.00 C ATOM 626 CG1 VAL A 43 -1.002 -10.186 1.625 1.00 0.00 C ATOM 627 CG2 VAL A 43 -1.220 -7.712 1.298 1.00 0.00 C ATOM 0 H VAL A 43 1.067 -7.954 2.460 1.00 0.00 H new ATOM 0 HA VAL A 43 1.280 -9.828 0.207 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.072 -9.173 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.086 -10.252 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.620 -11.104 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.560 -10.051 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.301 -7.812 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.783 -7.509 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.993 -6.889 0.621 1.00 0.00 H new ATOM 637 N ALA A 44 1.644 -6.629 0.129 1.00 0.00 N ATOM 638 CA ALA A 44 1.987 -5.485 -0.706 1.00 0.00 C ATOM 639 C ALA A 44 3.472 -5.484 -1.053 1.00 0.00 C ATOM 640 O ALA A 44 3.846 -5.597 -2.220 1.00 0.00 O ATOM 641 CB ALA A 44 1.605 -4.188 -0.007 1.00 0.00 C ATOM 0 H ALA A 44 1.768 -6.473 1.129 1.00 0.00 H new ATOM 0 HA ALA A 44 1.424 -5.563 -1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.867 -3.342 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.532 -4.180 0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.142 -4.112 0.938 1.00 0.00 H new ATOM 647 N ALA A 45 4.313 -5.354 -0.033 1.00 0.00 N ATOM 648 CA ALA A 45 5.757 -5.339 -0.230 1.00 0.00 C ATOM 649 C ALA A 45 6.386 -6.654 0.218 1.00 0.00 C ATOM 650 O ALA A 45 7.579 -6.880 0.024 1.00 0.00 O ATOM 651 CB ALA A 45 6.380 -4.171 0.520 1.00 0.00 C ATOM 0 H ALA A 45 4.019 -5.257 0.939 1.00 0.00 H new ATOM 0 HA ALA A 45 5.952 -5.218 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.459 -4.172 0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.961 -3.236 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.167 -4.267 1.585 1.00 0.00 H new ATOM 657 N ASN A 46 5.574 -7.518 0.819 1.00 0.00 N ATOM 658 CA ASN A 46 6.052 -8.811 1.296 1.00 0.00 C ATOM 659 C ASN A 46 7.135 -8.633 2.356 1.00 0.00 C ATOM 660 O ASN A 46 8.000 -9.492 2.526 1.00 0.00 O ATOM 661 CB ASN A 46 6.596 -9.639 0.130 1.00 0.00 C ATOM 662 CG ASN A 46 6.675 -11.118 0.458 1.00 0.00 C ATOM 663 OD1 ASN A 46 6.598 -11.511 1.622 1.00 0.00 O ATOM 664 ND2 ASN A 46 6.830 -11.944 -0.570 1.00 0.00 N ATOM 0 H ASN A 46 4.583 -7.346 0.987 1.00 0.00 H new ATOM 0 HA ASN A 46 5.211 -9.338 1.746 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.958 -9.497 -0.742 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.588 -9.276 -0.138 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.890 -12.950 -0.411 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.889 -11.573 -1.518 1.00 0.00 H new ATOM 671 N LYS A 47 7.080 -7.513 3.068 1.00 0.00 N ATOM 672 CA LYS A 47 8.053 -7.221 4.114 1.00 0.00 C ATOM 673 C LYS A 47 7.471 -7.509 5.494 1.00 0.00 C ATOM 674 O LYS A 47 6.320 -7.925 5.618 1.00 0.00 O ATOM 675 CB LYS A 47 8.499 -5.760 4.031 1.00 0.00 C ATOM 676 CG LYS A 47 9.663 -5.532 3.081 1.00 0.00 C ATOM 677 CD LYS A 47 10.998 -5.732 3.778 1.00 0.00 C ATOM 678 CE LYS A 47 12.085 -4.866 3.159 1.00 0.00 C ATOM 679 NZ LYS A 47 13.421 -5.143 3.755 1.00 0.00 N ATOM 0 H LYS A 47 6.371 -6.791 2.940 1.00 0.00 H new ATOM 0 HA LYS A 47 8.918 -7.867 3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.655 -5.149 3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.781 -5.418 5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.585 -6.218 2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.611 -4.521 2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.897 -5.490 4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.288 -6.781 3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.123 -5.044 2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.836 -3.814 3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.134 -4.533 3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.392 -4.949 4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.671 -6.140 3.599 1.00 0.00 H new ATOM 693 N SER A 48 8.274 -7.282 6.529 1.00 0.00 N ATOM 694 CA SER A 48 7.839 -7.518 7.900 1.00 0.00 C ATOM 695 C SER A 48 7.176 -6.274 8.482 1.00 0.00 C ATOM 696 O SER A 48 7.578 -5.149 8.187 1.00 0.00 O ATOM 697 CB SER A 48 9.027 -7.932 8.770 1.00 0.00 C ATOM 698 OG SER A 48 9.547 -9.185 8.362 1.00 0.00 O ATOM 0 H SER A 48 9.229 -6.935 6.444 1.00 0.00 H new ATOM 0 HA SER A 48 7.107 -8.326 7.889 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.808 -7.174 8.709 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.716 -7.986 9.813 1.00 0.00 H new ATOM 0 HG SER A 48 10.306 -9.426 8.933 1.00 0.00 H new ATOM 704 N GLN A 49 6.158 -6.486 9.311 1.00 0.00 N ATOM 705 CA GLN A 49 5.439 -5.381 9.934 1.00 0.00 C ATOM 706 C GLN A 49 6.385 -4.231 10.262 1.00 0.00 C ATOM 707 O GLN A 49 6.171 -3.097 9.836 1.00 0.00 O ATOM 708 CB GLN A 49 4.735 -5.857 11.206 1.00 0.00 C ATOM 709 CG GLN A 49 3.525 -5.017 11.582 1.00 0.00 C ATOM 710 CD GLN A 49 2.795 -5.557 12.796 1.00 0.00 C ATOM 711 OE1 GLN A 49 2.738 -6.768 13.013 1.00 0.00 O ATOM 712 NE2 GLN A 49 2.231 -4.659 13.596 1.00 0.00 N ATOM 0 H GLN A 49 5.813 -7.411 9.566 1.00 0.00 H new ATOM 0 HA GLN A 49 4.692 -5.021 9.226 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.421 -6.892 11.072 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.447 -5.844 12.032 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.845 -3.994 11.780 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.838 -4.978 10.737 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.303 -3.665 13.378 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.726 -4.963 14.428 1.00 0.00 H new ATOM 721 N GLY A 50 7.434 -4.532 11.022 1.00 0.00 N ATOM 722 CA GLY A 50 8.397 -3.512 11.395 1.00 0.00 C ATOM 723 C GLY A 50 8.752 -2.600 10.238 1.00 0.00 C ATOM 724 O GLY A 50 8.854 -1.384 10.406 1.00 0.00 O ATOM 0 H GLY A 50 7.634 -5.464 11.386 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.992 -2.916 12.213 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.303 -3.991 11.768 1.00 0.00 H new ATOM 728 N TRP A 51 8.941 -3.186 9.061 1.00 0.00 N ATOM 729 CA TRP A 51 9.289 -2.417 7.872 1.00 0.00 C ATOM 730 C TRP A 51 8.143 -1.497 7.464 1.00 0.00 C ATOM 731 O TRP A 51 8.367 -0.393 6.967 1.00 0.00 O ATOM 732 CB TRP A 51 9.642 -3.356 6.717 1.00 0.00 C ATOM 733 CG TRP A 51 10.000 -2.635 5.453 1.00 0.00 C ATOM 734 CD1 TRP A 51 11.254 -2.309 5.023 1.00 0.00 C ATOM 735 CD2 TRP A 51 9.093 -2.150 4.457 1.00 0.00 C ATOM 736 NE1 TRP A 51 11.182 -1.650 3.819 1.00 0.00 N ATOM 737 CE2 TRP A 51 9.868 -1.540 3.450 1.00 0.00 C ATOM 738 CE3 TRP A 51 7.703 -2.172 4.316 1.00 0.00 C ATOM 739 CZ2 TRP A 51 9.296 -0.959 2.321 1.00 0.00 C ATOM 740 CZ3 TRP A 51 7.138 -1.595 3.195 1.00 0.00 C ATOM 741 CH2 TRP A 51 7.933 -0.995 2.209 1.00 0.00 C ATOM 0 H TRP A 51 8.859 -4.191 8.905 1.00 0.00 H new ATOM 0 HA TRP A 51 10.157 -1.802 8.109 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.478 -3.989 7.015 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.796 -4.016 6.523 1.00 0.00 H new ATOM 0 HD1 TRP A 51 12.168 -2.536 5.551 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.978 -1.300 3.287 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.081 -2.632 5.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.907 -0.496 1.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.065 -1.607 3.076 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.461 -0.553 1.344 1.00 0.00 H new ATOM 752 N LEU A 52 6.916 -1.959 7.676 1.00 0.00 N ATOM 753 CA LEU A 52 5.734 -1.177 7.330 1.00 0.00 C ATOM 754 C LEU A 52 5.457 -0.112 8.387 1.00 0.00 C ATOM 755 O LEU A 52 5.425 1.081 8.086 1.00 0.00 O ATOM 756 CB LEU A 52 4.518 -2.093 7.182 1.00 0.00 C ATOM 757 CG LEU A 52 3.260 -1.449 6.596 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.831 -0.256 7.435 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.499 -1.031 5.153 1.00 0.00 C ATOM 0 H LEU A 52 6.713 -2.871 8.086 1.00 0.00 H new ATOM 0 HA LEU A 52 5.924 -0.679 6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.798 -2.936 6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.271 -2.498 8.164 1.00 0.00 H new ATOM 0 HG LEU A 52 2.456 -2.185 6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.935 0.189 7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.619 -0.584 8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.631 0.484 7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.594 -0.575 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.317 -0.311 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.758 -1.907 4.559 1.00 0.00 H new ATOM 771 N CYS A 53 5.260 -0.552 9.625 1.00 0.00 N ATOM 772 CA CYS A 53 4.988 0.363 10.727 1.00 0.00 C ATOM 773 C CYS A 53 5.872 1.603 10.636 1.00 0.00 C ATOM 774 O CYS A 53 5.385 2.730 10.707 1.00 0.00 O ATOM 775 CB CYS A 53 5.209 -0.339 12.067 1.00 0.00 C ATOM 776 SG CYS A 53 4.175 0.290 13.410 1.00 0.00 S ATOM 0 H CYS A 53 5.284 -1.537 9.890 1.00 0.00 H new ATOM 0 HA CYS A 53 3.946 0.676 10.657 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.016 -1.405 11.943 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.256 -0.236 12.351 1.00 0.00 H new ATOM 0 HG CYS A 53 4.433 -0.368 14.501 1.00 0.00 H new ATOM 782 N GLU A 54 7.174 1.384 10.480 1.00 0.00 N ATOM 783 CA GLU A 54 8.126 2.484 10.382 1.00 0.00 C ATOM 784 C GLU A 54 7.696 3.482 9.311 1.00 0.00 C ATOM 785 O GLU A 54 7.550 4.675 9.580 1.00 0.00 O ATOM 786 CB GLU A 54 9.525 1.951 10.065 1.00 0.00 C ATOM 787 CG GLU A 54 10.092 1.049 11.148 1.00 0.00 C ATOM 788 CD GLU A 54 11.117 0.068 10.613 1.00 0.00 C ATOM 789 OE1 GLU A 54 11.690 0.338 9.536 1.00 0.00 O ATOM 790 OE2 GLU A 54 11.347 -0.968 11.271 1.00 0.00 O ATOM 0 H GLU A 54 7.593 0.456 10.419 1.00 0.00 H new ATOM 0 HA GLU A 54 8.149 2.996 11.344 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.490 1.399 9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.200 2.793 9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.552 1.663 11.923 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.278 0.498 11.619 1.00 0.00 H new ATOM 797 N LEU A 55 7.495 2.986 8.095 1.00 0.00 N ATOM 798 CA LEU A 55 7.081 3.834 6.982 1.00 0.00 C ATOM 799 C LEU A 55 6.009 4.826 7.421 1.00 0.00 C ATOM 800 O LEU A 55 6.043 5.999 7.047 1.00 0.00 O ATOM 801 CB LEU A 55 6.557 2.975 5.829 1.00 0.00 C ATOM 802 CG LEU A 55 7.598 2.514 4.808 1.00 0.00 C ATOM 803 CD1 LEU A 55 8.949 2.314 5.476 1.00 0.00 C ATOM 804 CD2 LEU A 55 7.143 1.232 4.125 1.00 0.00 C ATOM 0 H LEU A 55 7.612 2.002 7.855 1.00 0.00 H new ATOM 0 HA LEU A 55 7.951 4.396 6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.075 2.093 6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.787 3.539 5.303 1.00 0.00 H new ATOM 0 HG LEU A 55 7.703 3.289 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.677 1.986 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.279 3.254 5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.861 1.558 6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.896 0.918 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.009 0.450 4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.198 1.409 3.612 1.00 0.00 H new ATOM 816 N LEU A 56 5.060 4.348 8.218 1.00 0.00 N ATOM 817 CA LEU A 56 3.978 5.193 8.711 1.00 0.00 C ATOM 818 C LEU A 56 4.455 6.071 9.863 1.00 0.00 C ATOM 819 O LEU A 56 3.896 7.139 10.115 1.00 0.00 O ATOM 820 CB LEU A 56 2.798 4.332 9.165 1.00 0.00 C ATOM 821 CG LEU A 56 2.450 3.143 8.269 1.00 0.00 C ATOM 822 CD1 LEU A 56 1.271 2.370 8.840 1.00 0.00 C ATOM 823 CD2 LEU A 56 2.146 3.613 6.854 1.00 0.00 C ATOM 0 H LEU A 56 5.018 3.380 8.537 1.00 0.00 H new ATOM 0 HA LEU A 56 3.655 5.840 7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.012 3.957 10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.918 4.970 9.245 1.00 0.00 H new ATOM 0 HG LEU A 56 3.312 2.476 8.233 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.038 1.528 8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.525 2.001 9.834 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.404 3.027 8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.900 2.754 6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.301 4.301 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.019 4.121 6.444 1.00 0.00 H new ATOM 835 N ARG A 57 5.492 5.615 10.558 1.00 0.00 N ATOM 836 CA ARG A 57 6.045 6.359 11.683 1.00 0.00 C ATOM 837 C ARG A 57 6.888 7.534 11.196 1.00 0.00 C ATOM 838 O ARG A 57 6.626 8.686 11.543 1.00 0.00 O ATOM 839 CB ARG A 57 6.892 5.440 12.563 1.00 0.00 C ATOM 840 CG ARG A 57 7.758 6.185 13.566 1.00 0.00 C ATOM 841 CD ARG A 57 8.582 5.226 14.411 1.00 0.00 C ATOM 842 NE ARG A 57 8.853 5.763 15.742 1.00 0.00 N ATOM 843 CZ ARG A 57 8.002 5.671 16.758 1.00 0.00 C ATOM 844 NH1 ARG A 57 6.834 5.065 16.597 1.00 0.00 N ATOM 845 NH2 ARG A 57 8.320 6.184 17.940 1.00 0.00 N ATOM 0 H ARG A 57 5.966 4.734 10.362 1.00 0.00 H new ATOM 0 HA ARG A 57 5.214 6.749 12.271 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.234 4.758 13.101 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.532 4.830 11.926 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.422 6.869 13.038 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.126 6.792 14.214 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.052 4.278 14.504 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.525 5.016 13.906 1.00 0.00 H new ATOM 0 HE ARG A 57 9.744 6.234 15.900 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.586 4.668 15.691 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.183 4.996 17.379 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.218 6.649 18.069 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.666 6.113 18.719 1.00 0.00 H new ATOM 859 N TRP A 58 7.901 7.234 10.391 1.00 0.00 N ATOM 860 CA TRP A 58 8.784 8.265 9.856 1.00 0.00 C ATOM 861 C TRP A 58 8.129 8.988 8.684 1.00 0.00 C ATOM 862 O TRP A 58 8.157 10.216 8.606 1.00 0.00 O ATOM 863 CB TRP A 58 10.112 7.649 9.414 1.00 0.00 C ATOM 864 CG TRP A 58 10.809 6.894 10.505 1.00 0.00 C ATOM 865 CD1 TRP A 58 10.720 5.556 10.761 1.00 0.00 C ATOM 866 CD2 TRP A 58 11.700 7.434 11.486 1.00 0.00 C ATOM 867 NE1 TRP A 58 11.502 5.231 11.844 1.00 0.00 N ATOM 868 CE2 TRP A 58 12.115 6.366 12.306 1.00 0.00 C ATOM 869 CE3 TRP A 58 12.190 8.716 11.752 1.00 0.00 C ATOM 870 CZ2 TRP A 58 12.994 6.543 13.371 1.00 0.00 C ATOM 871 CZ3 TRP A 58 13.063 8.890 12.809 1.00 0.00 C ATOM 872 CH2 TRP A 58 13.458 7.808 13.608 1.00 0.00 C ATOM 0 H TRP A 58 8.132 6.286 10.094 1.00 0.00 H new ATOM 0 HA TRP A 58 8.974 8.991 10.646 1.00 0.00 H new ATOM 0 HB2 TRP A 58 9.931 6.977 8.575 1.00 0.00 H new ATOM 0 HB3 TRP A 58 10.769 8.440 9.053 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.123 4.856 10.196 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.609 4.297 12.239 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.891 9.556 11.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.299 5.711 13.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.447 9.876 13.023 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.142 7.976 14.427 1.00 0.00 H new ATOM 883 N LYS A 59 7.539 8.219 7.775 1.00 0.00 N ATOM 884 CA LYS A 59 6.876 8.786 6.607 1.00 0.00 C ATOM 885 C LYS A 59 7.834 9.666 5.811 1.00 0.00 C ATOM 886 O LYS A 59 7.486 10.780 5.419 1.00 0.00 O ATOM 887 CB LYS A 59 5.653 9.602 7.036 1.00 0.00 C ATOM 888 CG LYS A 59 4.528 8.757 7.606 1.00 0.00 C ATOM 889 CD LYS A 59 3.277 9.585 7.850 1.00 0.00 C ATOM 890 CE LYS A 59 2.019 8.734 7.762 1.00 0.00 C ATOM 891 NZ LYS A 59 0.810 9.559 7.489 1.00 0.00 N ATOM 0 H LYS A 59 7.507 7.201 7.825 1.00 0.00 H new ATOM 0 HA LYS A 59 6.552 7.964 5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.959 10.335 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.279 10.159 6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.298 7.943 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.852 8.301 8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.334 10.051 8.834 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.224 10.391 7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.137 7.991 6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.883 8.189 8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.156 9.026 6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.338 9.791 8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.090 10.437 7.008 1.00 0.00 H new ATOM 905 N GLU A 60 9.039 9.158 5.574 1.00 0.00 N ATOM 906 CA GLU A 60 10.046 9.899 4.824 1.00 0.00 C ATOM 907 C GLU A 60 9.474 10.409 3.504 1.00 0.00 C ATOM 908 O GLU A 60 8.336 10.105 3.150 1.00 0.00 O ATOM 909 CB GLU A 60 11.267 9.017 4.556 1.00 0.00 C ATOM 910 CG GLU A 60 12.325 9.095 5.644 1.00 0.00 C ATOM 911 CD GLU A 60 12.113 8.068 6.739 1.00 0.00 C ATOM 912 OE1 GLU A 60 11.449 7.044 6.471 1.00 0.00 O ATOM 913 OE2 GLU A 60 12.610 8.287 7.863 1.00 0.00 O ATOM 0 H GLU A 60 9.342 8.237 5.890 1.00 0.00 H new ATOM 0 HA GLU A 60 10.351 10.756 5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.941 7.982 4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.713 9.308 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.309 8.949 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.318 10.093 6.081 1.00 0.00 H new ATOM 920 N ASN A 61 10.274 11.187 2.781 1.00 0.00 N ATOM 921 CA ASN A 61 9.848 11.740 1.500 1.00 0.00 C ATOM 922 C ASN A 61 10.244 10.819 0.350 1.00 0.00 C ATOM 923 O ASN A 61 11.424 10.631 0.051 1.00 0.00 O ATOM 924 CB ASN A 61 10.459 13.127 1.292 1.00 0.00 C ATOM 925 CG ASN A 61 10.517 13.520 -0.172 1.00 0.00 C ATOM 926 OD1 ASN A 61 11.597 13.658 -0.747 1.00 0.00 O ATOM 927 ND2 ASN A 61 9.352 13.701 -0.782 1.00 0.00 N ATOM 0 H ASN A 61 11.220 11.448 3.060 1.00 0.00 H new ATOM 0 HA ASN A 61 8.762 11.827 1.513 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.873 13.865 1.840 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.465 13.144 1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.328 13.965 -1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.481 13.576 -0.266 1.00 0.00 H new ATOM 934 N PRO A 62 9.237 10.231 -0.311 1.00 0.00 N ATOM 935 CA PRO A 62 9.455 9.321 -1.439 1.00 0.00 C ATOM 936 C PRO A 62 9.974 10.045 -2.677 1.00 0.00 C ATOM 937 O PRO A 62 9.560 11.167 -2.970 1.00 0.00 O ATOM 938 CB PRO A 62 8.062 8.743 -1.703 1.00 0.00 C ATOM 939 CG PRO A 62 7.120 9.774 -1.186 1.00 0.00 C ATOM 940 CD PRO A 62 7.807 10.410 -0.009 1.00 0.00 C ATOM 0 HA PRO A 62 10.209 8.567 -1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.904 8.560 -2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.925 7.790 -1.192 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.893 10.515 -1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.173 9.323 -0.888 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.546 11.464 0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.530 9.926 0.928 1.00 0.00 H new ATOM 948 N SER A 63 10.883 9.397 -3.398 1.00 0.00 N ATOM 949 CA SER A 63 11.461 9.982 -4.603 1.00 0.00 C ATOM 950 C SER A 63 12.113 8.908 -5.469 1.00 0.00 C ATOM 951 O SER A 63 12.474 7.829 -4.998 1.00 0.00 O ATOM 952 CB SER A 63 12.493 11.049 -4.232 1.00 0.00 C ATOM 953 OG SER A 63 11.889 12.327 -4.127 1.00 0.00 O ATOM 0 H SER A 63 11.235 8.467 -3.169 1.00 0.00 H new ATOM 0 HA SER A 63 10.657 10.446 -5.174 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.967 10.788 -3.286 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.280 11.076 -4.986 1.00 0.00 H new ATOM 0 HG SER A 63 10.998 12.236 -3.730 1.00 0.00 H new ATOM 959 N PRO A 64 12.266 9.209 -6.767 1.00 0.00 N ATOM 960 CA PRO A 64 12.875 8.284 -7.727 1.00 0.00 C ATOM 961 C PRO A 64 14.371 8.104 -7.491 1.00 0.00 C ATOM 962 O PRO A 64 15.035 7.354 -8.206 1.00 0.00 O ATOM 963 CB PRO A 64 12.624 8.959 -9.078 1.00 0.00 C ATOM 964 CG PRO A 64 12.493 10.408 -8.758 1.00 0.00 C ATOM 965 CD PRO A 64 11.859 10.476 -7.397 1.00 0.00 C ATOM 0 HA PRO A 64 12.453 7.282 -7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.447 8.779 -9.770 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.720 8.575 -9.551 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.467 10.898 -8.760 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.879 10.918 -9.500 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.213 11.338 -6.831 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.774 10.562 -7.463 1.00 0.00 H new ATOM 973 N GLU A 65 14.893 8.795 -6.483 1.00 0.00 N ATOM 974 CA GLU A 65 16.312 8.711 -6.154 1.00 0.00 C ATOM 975 C GLU A 65 16.577 7.564 -5.183 1.00 0.00 C ATOM 976 O GLU A 65 17.549 6.824 -5.332 1.00 0.00 O ATOM 977 CB GLU A 65 16.797 10.030 -5.548 1.00 0.00 C ATOM 978 CG GLU A 65 17.127 11.091 -6.584 1.00 0.00 C ATOM 979 CD GLU A 65 18.541 10.967 -7.116 1.00 0.00 C ATOM 980 OE1 GLU A 65 19.485 11.329 -6.383 1.00 0.00 O ATOM 981 OE2 GLU A 65 18.704 10.507 -8.266 1.00 0.00 O ATOM 0 H GLU A 65 14.356 9.419 -5.880 1.00 0.00 H new ATOM 0 HA GLU A 65 16.862 8.519 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.029 10.416 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.683 9.838 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.423 11.015 -7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.994 12.079 -6.142 1.00 0.00 H new ATOM 988 N ASN A 66 15.707 7.425 -4.189 1.00 0.00 N ATOM 989 CA ASN A 66 15.848 6.369 -3.192 1.00 0.00 C ATOM 990 C ASN A 66 15.345 5.036 -3.737 1.00 0.00 C ATOM 991 O ASN A 66 14.145 4.849 -3.940 1.00 0.00 O ATOM 992 CB ASN A 66 15.080 6.734 -1.920 1.00 0.00 C ATOM 993 CG ASN A 66 15.599 5.998 -0.700 1.00 0.00 C ATOM 994 OD1 ASN A 66 16.389 5.061 -0.816 1.00 0.00 O ATOM 995 ND2 ASN A 66 15.155 6.420 0.478 1.00 0.00 N ATOM 0 H ASN A 66 14.897 8.030 -4.052 1.00 0.00 H new ATOM 0 HA ASN A 66 16.907 6.268 -2.953 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.152 7.808 -1.751 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.024 6.503 -2.058 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.468 5.963 1.335 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.500 7.201 0.526 1.00 0.00 H new ATOM 1002 N ARG A 67 16.271 4.112 -3.972 1.00 0.00 N ATOM 1003 CA ARG A 67 15.923 2.796 -4.494 1.00 0.00 C ATOM 1004 C ARG A 67 15.195 1.968 -3.439 1.00 0.00 C ATOM 1005 O ARG A 67 14.000 1.697 -3.562 1.00 0.00 O ATOM 1006 CB ARG A 67 17.180 2.059 -4.958 1.00 0.00 C ATOM 1007 CG ARG A 67 17.699 2.528 -6.307 1.00 0.00 C ATOM 1008 CD ARG A 67 16.988 1.825 -7.453 1.00 0.00 C ATOM 1009 NE ARG A 67 15.817 2.568 -7.910 1.00 0.00 N ATOM 1010 CZ ARG A 67 15.304 2.455 -9.130 1.00 0.00 C ATOM 1011 NH1 ARG A 67 15.857 1.632 -10.011 1.00 0.00 N ATOM 1012 NH2 ARG A 67 14.236 3.165 -9.471 1.00 0.00 N ATOM 0 H ARG A 67 17.268 4.251 -3.809 1.00 0.00 H new ATOM 0 HA ARG A 67 15.257 2.935 -5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 67 17.964 2.190 -4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.966 0.992 -5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.560 3.605 -6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 67 18.771 2.339 -6.372 1.00 0.00 H new ATOM 0 HD2 ARG A 67 17.681 1.695 -8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.683 0.829 -7.133 1.00 0.00 H new ATOM 0 HE ARG A 67 15.368 3.209 -7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.678 1.084 -9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.462 1.547 -10.947 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.808 3.799 -8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.843 3.077 -10.408 1.00 0.00 H new ATOM 1026 N THR A 68 15.924 1.567 -2.402 1.00 0.00 N ATOM 1027 CA THR A 68 15.348 0.769 -1.327 1.00 0.00 C ATOM 1028 C THR A 68 13.956 1.266 -0.957 1.00 0.00 C ATOM 1029 O THR A 68 13.085 0.481 -0.577 1.00 0.00 O ATOM 1030 CB THR A 68 16.240 0.793 -0.071 1.00 0.00 C ATOM 1031 OG1 THR A 68 17.603 0.544 -0.432 1.00 0.00 O ATOM 1032 CG2 THR A 68 15.780 -0.247 0.939 1.00 0.00 C ATOM 0 H THR A 68 16.914 1.782 -2.284 1.00 0.00 H new ATOM 0 HA THR A 68 15.278 -0.254 -1.696 1.00 0.00 H new ATOM 0 HB THR A 68 16.160 1.780 0.385 1.00 0.00 H new ATOM 0 HG1 THR A 68 18.163 0.563 0.372 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.425 -0.211 1.817 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.752 -0.037 1.235 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.833 -1.239 0.490 1.00 0.00 H new ATOM 1040 N LEU A 69 13.750 2.574 -1.071 1.00 0.00 N ATOM 1041 CA LEU A 69 12.461 3.176 -0.749 1.00 0.00 C ATOM 1042 C LEU A 69 11.540 3.173 -1.965 1.00 0.00 C ATOM 1043 O LEU A 69 10.527 2.472 -1.986 1.00 0.00 O ATOM 1044 CB LEU A 69 12.656 4.608 -0.247 1.00 0.00 C ATOM 1045 CG LEU A 69 11.634 5.106 0.775 1.00 0.00 C ATOM 1046 CD1 LEU A 69 11.538 4.143 1.948 1.00 0.00 C ATOM 1047 CD2 LEU A 69 11.999 6.502 1.257 1.00 0.00 C ATOM 0 H LEU A 69 14.459 3.237 -1.384 1.00 0.00 H new ATOM 0 HA LEU A 69 11.996 2.581 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.649 4.684 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.637 5.279 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 69 10.659 5.154 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.806 4.515 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.229 3.162 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.511 4.062 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.261 6.841 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.984 6.480 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.014 7.187 0.409 1.00 0.00 H new ATOM 1059 N TRP A 70 11.898 3.957 -2.974 1.00 0.00 N ATOM 1060 CA TRP A 70 11.104 4.042 -4.195 1.00 0.00 C ATOM 1061 C TRP A 70 10.652 2.659 -4.648 1.00 0.00 C ATOM 1062 O TRP A 70 9.472 2.440 -4.918 1.00 0.00 O ATOM 1063 CB TRP A 70 11.910 4.718 -5.306 1.00 0.00 C ATOM 1064 CG TRP A 70 11.091 5.051 -6.516 1.00 0.00 C ATOM 1065 CD1 TRP A 70 11.010 4.331 -7.674 1.00 0.00 C ATOM 1066 CD2 TRP A 70 10.238 6.188 -6.688 1.00 0.00 C ATOM 1067 NE1 TRP A 70 10.158 4.953 -8.555 1.00 0.00 N ATOM 1068 CE2 TRP A 70 9.671 6.093 -7.974 1.00 0.00 C ATOM 1069 CE3 TRP A 70 9.897 7.276 -5.880 1.00 0.00 C ATOM 1070 CZ2 TRP A 70 8.785 7.046 -8.468 1.00 0.00 C ATOM 1071 CZ3 TRP A 70 9.017 8.221 -6.372 1.00 0.00 C ATOM 1072 CH2 TRP A 70 8.468 8.101 -7.656 1.00 0.00 C ATOM 0 H TRP A 70 12.733 4.543 -2.972 1.00 0.00 H new ATOM 0 HA TRP A 70 10.219 4.641 -3.982 1.00 0.00 H new ATOM 0 HB2 TRP A 70 12.357 5.632 -4.916 1.00 0.00 H new ATOM 0 HB3 TRP A 70 12.730 4.063 -5.600 1.00 0.00 H new ATOM 0 HD1 TRP A 70 11.538 3.409 -7.869 1.00 0.00 H new ATOM 0 HE1 TRP A 70 9.926 4.619 -9.491 1.00 0.00 H new ATOM 0 HE3 TRP A 70 10.314 7.376 -4.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 8.362 6.956 -9.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 8.748 9.067 -5.757 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.782 8.855 -8.011 1.00 0.00 H new ATOM 1083 N GLU A 71 11.599 1.728 -4.729 1.00 0.00 N ATOM 1084 CA GLU A 71 11.295 0.366 -5.151 1.00 0.00 C ATOM 1085 C GLU A 71 10.098 -0.187 -4.383 1.00 0.00 C ATOM 1086 O GLU A 71 9.022 -0.382 -4.947 1.00 0.00 O ATOM 1087 CB GLU A 71 12.511 -0.539 -4.942 1.00 0.00 C ATOM 1088 CG GLU A 71 13.673 -0.222 -5.869 1.00 0.00 C ATOM 1089 CD GLU A 71 14.511 -1.443 -6.192 1.00 0.00 C ATOM 1090 OE1 GLU A 71 13.976 -2.568 -6.115 1.00 0.00 O ATOM 1091 OE2 GLU A 71 15.704 -1.272 -6.523 1.00 0.00 O ATOM 0 H GLU A 71 12.581 1.893 -4.508 1.00 0.00 H new ATOM 0 HA GLU A 71 11.045 0.388 -6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.847 -0.449 -3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.211 -1.576 -5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.288 0.205 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.305 0.536 -5.407 1.00 0.00 H new ATOM 1098 N ASN A 72 10.295 -0.439 -3.093 1.00 0.00 N ATOM 1099 CA ASN A 72 9.232 -0.971 -2.247 1.00 0.00 C ATOM 1100 C ASN A 72 7.954 -0.151 -2.399 1.00 0.00 C ATOM 1101 O ASN A 72 6.887 -0.693 -2.690 1.00 0.00 O ATOM 1102 CB ASN A 72 9.674 -0.981 -0.782 1.00 0.00 C ATOM 1103 CG ASN A 72 10.820 -1.942 -0.531 1.00 0.00 C ATOM 1104 OD1 ASN A 72 10.882 -3.020 -1.123 1.00 0.00 O ATOM 1105 ND2 ASN A 72 11.733 -1.556 0.352 1.00 0.00 N ATOM 0 H ASN A 72 11.180 -0.284 -2.611 1.00 0.00 H new ATOM 0 HA ASN A 72 9.027 -1.993 -2.564 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.976 0.025 -0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.828 -1.256 -0.152 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.526 -2.162 0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.641 -0.654 0.819 1.00 0.00 H new ATOM 1112 N LEU A 73 8.070 1.157 -2.200 1.00 0.00 N ATOM 1113 CA LEU A 73 6.925 2.053 -2.315 1.00 0.00 C ATOM 1114 C LEU A 73 6.266 1.921 -3.684 1.00 0.00 C ATOM 1115 O LEU A 73 5.103 2.287 -3.862 1.00 0.00 O ATOM 1116 CB LEU A 73 7.360 3.501 -2.083 1.00 0.00 C ATOM 1117 CG LEU A 73 7.577 3.912 -0.626 1.00 0.00 C ATOM 1118 CD1 LEU A 73 7.761 5.417 -0.518 1.00 0.00 C ATOM 1119 CD2 LEU A 73 6.412 3.451 0.237 1.00 0.00 C ATOM 0 H LEU A 73 8.946 1.621 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 73 6.197 1.772 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.287 3.673 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.607 4.159 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 73 8.485 3.429 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.914 5.691 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.629 5.720 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.872 5.920 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.583 3.752 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.489 3.905 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.328 2.366 0.185 1.00 0.00 H new ATOM 1131 N CYS A 74 7.014 1.394 -4.647 1.00 0.00 N ATOM 1132 CA CYS A 74 6.502 1.212 -6.000 1.00 0.00 C ATOM 1133 C CYS A 74 5.490 0.071 -6.050 1.00 0.00 C ATOM 1134 O CYS A 74 4.373 0.238 -6.540 1.00 0.00 O ATOM 1135 CB CYS A 74 7.651 0.932 -6.969 1.00 0.00 C ATOM 1136 SG CYS A 74 7.291 1.368 -8.687 1.00 0.00 S ATOM 0 H CYS A 74 7.977 1.085 -4.516 1.00 0.00 H new ATOM 0 HA CYS A 74 6.000 2.132 -6.298 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.531 1.486 -6.642 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.904 -0.127 -6.920 1.00 0.00 H new ATOM 0 HG CYS A 74 8.323 1.097 -9.429 1.00 0.00 H new ATOM 1142 N THR A 75 5.890 -1.090 -5.540 1.00 0.00 N ATOM 1143 CA THR A 75 5.020 -2.259 -5.528 1.00 0.00 C ATOM 1144 C THR A 75 3.773 -2.009 -4.689 1.00 0.00 C ATOM 1145 O THR A 75 2.672 -2.418 -5.058 1.00 0.00 O ATOM 1146 CB THR A 75 5.753 -3.499 -4.982 1.00 0.00 C ATOM 1147 OG1 THR A 75 5.216 -4.687 -5.575 1.00 0.00 O ATOM 1148 CG2 THR A 75 5.624 -3.580 -3.468 1.00 0.00 C ATOM 0 H THR A 75 6.811 -1.245 -5.130 1.00 0.00 H new ATOM 0 HA THR A 75 4.727 -2.445 -6.561 1.00 0.00 H new ATOM 0 HB THR A 75 6.809 -3.411 -5.238 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.689 -5.470 -5.224 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.149 -4.463 -3.105 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.059 -2.688 -3.017 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.571 -3.647 -3.196 1.00 0.00 H new ATOM 1156 N ILE A 76 3.952 -1.333 -3.559 1.00 0.00 N ATOM 1157 CA ILE A 76 2.840 -1.027 -2.668 1.00 0.00 C ATOM 1158 C ILE A 76 1.874 -0.040 -3.314 1.00 0.00 C ATOM 1159 O ILE A 76 0.673 -0.064 -3.044 1.00 0.00 O ATOM 1160 CB ILE A 76 3.334 -0.444 -1.331 1.00 0.00 C ATOM 1161 CG1 ILE A 76 4.404 -1.350 -0.719 1.00 0.00 C ATOM 1162 CG2 ILE A 76 2.169 -0.266 -0.368 1.00 0.00 C ATOM 1163 CD1 ILE A 76 4.876 -0.892 0.644 1.00 0.00 C ATOM 0 H ILE A 76 4.857 -0.987 -3.239 1.00 0.00 H new ATOM 0 HA ILE A 76 2.322 -1.966 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 76 3.777 0.534 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.008 -2.362 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.259 -1.397 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.534 0.147 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.438 0.415 -0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.700 -1.232 -0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.634 -1.581 1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.302 0.108 0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.032 -0.873 1.334 1.00 0.00 H new ATOM 1175 N ARG A 77 2.406 0.826 -4.170 1.00 0.00 N ATOM 1176 CA ARG A 77 1.591 1.822 -4.856 1.00 0.00 C ATOM 1177 C ARG A 77 0.656 1.159 -5.862 1.00 0.00 C ATOM 1178 O ARG A 77 -0.491 1.575 -6.026 1.00 0.00 O ATOM 1179 CB ARG A 77 2.484 2.841 -5.567 1.00 0.00 C ATOM 1180 CG ARG A 77 1.725 3.765 -6.505 1.00 0.00 C ATOM 1181 CD ARG A 77 1.029 4.882 -5.744 1.00 0.00 C ATOM 1182 NE ARG A 77 0.199 5.706 -6.618 1.00 0.00 N ATOM 1183 CZ ARG A 77 -0.148 6.958 -6.338 1.00 0.00 C ATOM 1184 NH1 ARG A 77 0.263 7.527 -5.213 1.00 0.00 N ATOM 1185 NH2 ARG A 77 -0.906 7.643 -7.185 1.00 0.00 N ATOM 0 H ARG A 77 3.398 0.858 -4.405 1.00 0.00 H new ATOM 0 HA ARG A 77 0.987 2.338 -4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.002 3.442 -4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.248 2.309 -6.134 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.415 4.194 -7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.987 3.190 -7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.410 4.453 -4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.776 5.509 -5.257 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.133 5.298 -7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.847 7.004 -4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.005 8.488 -5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.223 7.209 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.172 8.604 -6.969 1.00 0.00 H new ATOM 1199 N ARG A 78 1.154 0.126 -6.534 1.00 0.00 N ATOM 1200 CA ARG A 78 0.364 -0.593 -7.526 1.00 0.00 C ATOM 1201 C ARG A 78 -0.731 -1.417 -6.855 1.00 0.00 C ATOM 1202 O ARG A 78 -1.817 -1.594 -7.409 1.00 0.00 O ATOM 1203 CB ARG A 78 1.263 -1.506 -8.362 1.00 0.00 C ATOM 1204 CG ARG A 78 2.004 -0.780 -9.473 1.00 0.00 C ATOM 1205 CD ARG A 78 3.336 -1.444 -9.782 1.00 0.00 C ATOM 1206 NE ARG A 78 3.744 -1.234 -11.168 1.00 0.00 N ATOM 1207 CZ ARG A 78 5.006 -1.292 -11.580 1.00 0.00 C ATOM 1208 NH1 ARG A 78 5.977 -1.554 -10.716 1.00 0.00 N ATOM 1209 NH2 ARG A 78 5.298 -1.089 -12.858 1.00 0.00 N ATOM 0 H ARG A 78 2.101 -0.232 -6.409 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.106 0.141 -8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.989 -1.986 -7.706 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.656 -2.298 -8.799 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.388 -0.763 -10.372 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.172 0.257 -9.182 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.102 -1.048 -9.115 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.263 -2.513 -9.584 1.00 0.00 H new ATOM 0 HE ARG A 78 3.021 -1.032 -11.858 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.756 -1.712 -9.733 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.945 -1.598 -11.035 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.553 -0.888 -13.526 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.267 -1.134 -13.173 1.00 0.00 H new ATOM 1223 N PHE A 79 -0.439 -1.918 -5.659 1.00 0.00 N ATOM 1224 CA PHE A 79 -1.398 -2.725 -4.913 1.00 0.00 C ATOM 1225 C PHE A 79 -2.660 -1.923 -4.606 1.00 0.00 C ATOM 1226 O PHE A 79 -3.776 -2.377 -4.863 1.00 0.00 O ATOM 1227 CB PHE A 79 -0.770 -3.228 -3.612 1.00 0.00 C ATOM 1228 CG PHE A 79 -1.535 -4.351 -2.972 1.00 0.00 C ATOM 1229 CD1 PHE A 79 -2.840 -4.164 -2.547 1.00 0.00 C ATOM 1230 CD2 PHE A 79 -0.949 -5.594 -2.797 1.00 0.00 C ATOM 1231 CE1 PHE A 79 -3.546 -5.196 -1.958 1.00 0.00 C ATOM 1232 CE2 PHE A 79 -1.650 -6.630 -2.209 1.00 0.00 C ATOM 1233 CZ PHE A 79 -2.951 -6.431 -1.789 1.00 0.00 C ATOM 0 H PHE A 79 0.454 -1.779 -5.186 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.673 -3.581 -5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.248 -3.561 -3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.700 -2.399 -2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.311 -3.201 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.068 -5.755 -3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.563 -5.037 -1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.181 -7.594 -2.078 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.501 -7.239 -1.330 1.00 0.00 H new ATOM 1243 N LEU A 80 -2.475 -0.730 -4.053 1.00 0.00 N ATOM 1244 CA LEU A 80 -3.597 0.137 -3.709 1.00 0.00 C ATOM 1245 C LEU A 80 -4.422 0.476 -4.946 1.00 0.00 C ATOM 1246 O LEU A 80 -5.632 0.683 -4.859 1.00 0.00 O ATOM 1247 CB LEU A 80 -3.092 1.422 -3.050 1.00 0.00 C ATOM 1248 CG LEU A 80 -2.097 1.242 -1.903 1.00 0.00 C ATOM 1249 CD1 LEU A 80 -1.500 2.581 -1.500 1.00 0.00 C ATOM 1250 CD2 LEU A 80 -2.771 0.576 -0.712 1.00 0.00 C ATOM 0 H LEU A 80 -1.558 -0.340 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.235 -0.398 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.624 2.040 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.952 1.976 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.289 0.596 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.794 2.433 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.981 3.019 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.296 3.251 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.048 0.456 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.599 1.197 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.150 -0.402 -1.008 1.00 0.00 H new ATOM 1262 N ASN A 81 -3.759 0.528 -6.097 1.00 0.00 N ATOM 1263 CA ASN A 81 -4.432 0.841 -7.353 1.00 0.00 C ATOM 1264 C ASN A 81 -5.481 -0.216 -7.685 1.00 0.00 C ATOM 1265 O ASN A 81 -6.369 0.012 -8.508 1.00 0.00 O ATOM 1266 CB ASN A 81 -3.413 0.940 -8.490 1.00 0.00 C ATOM 1267 CG ASN A 81 -2.861 2.343 -8.650 1.00 0.00 C ATOM 1268 OD1 ASN A 81 -3.522 3.223 -9.200 1.00 0.00 O ATOM 1269 ND2 ASN A 81 -1.641 2.557 -8.170 1.00 0.00 N ATOM 0 H ASN A 81 -2.757 0.358 -6.186 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.934 1.802 -7.239 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.592 0.249 -8.300 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.882 0.628 -9.423 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.216 3.481 -8.250 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.129 1.797 -7.721 1.00 0.00 H new ATOM 1276 N LEU A 82 -5.373 -1.372 -7.040 1.00 0.00 N ATOM 1277 CA LEU A 82 -6.313 -2.465 -7.266 1.00 0.00 C ATOM 1278 C LEU A 82 -7.681 -2.137 -6.677 1.00 0.00 C ATOM 1279 O LEU A 82 -7.805 -1.371 -5.721 1.00 0.00 O ATOM 1280 CB LEU A 82 -5.777 -3.760 -6.653 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.472 -4.293 -7.245 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -3.964 -5.477 -6.436 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -4.668 -4.685 -8.702 1.00 0.00 C ATOM 0 H LEU A 82 -4.644 -1.577 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.424 -2.599 -8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.629 -3.599 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.541 -4.531 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.725 -3.501 -7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.035 -5.843 -6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.784 -5.164 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.709 -6.273 -6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.729 -5.062 -9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.430 -5.461 -8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.985 -3.813 -9.274 1.00 0.00 H new ATOM 1295 N PRO A 83 -8.734 -2.732 -7.257 1.00 0.00 N ATOM 1296 CA PRO A 83 -10.112 -2.521 -6.804 1.00 0.00 C ATOM 1297 C PRO A 83 -10.378 -3.157 -5.444 1.00 0.00 C ATOM 1298 O PRO A 83 -9.806 -4.194 -5.111 1.00 0.00 O ATOM 1299 CB PRO A 83 -10.950 -3.205 -7.887 1.00 0.00 C ATOM 1300 CG PRO A 83 -10.046 -4.235 -8.472 1.00 0.00 C ATOM 1301 CD PRO A 83 -8.660 -3.657 -8.401 1.00 0.00 C ATOM 0 HA PRO A 83 -10.341 -1.463 -6.673 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.847 -3.659 -7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.279 -2.492 -8.643 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.108 -5.170 -7.915 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.324 -4.458 -9.502 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.909 -4.431 -8.244 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.394 -3.137 -9.321 1.00 0.00 H new ATOM 1309 N GLN A 84 -11.251 -2.528 -4.663 1.00 0.00 N ATOM 1310 CA GLN A 84 -11.592 -3.033 -3.338 1.00 0.00 C ATOM 1311 C GLN A 84 -11.842 -4.537 -3.377 1.00 0.00 C ATOM 1312 O GLN A 84 -11.374 -5.278 -2.512 1.00 0.00 O ATOM 1313 CB GLN A 84 -12.828 -2.313 -2.797 1.00 0.00 C ATOM 1314 CG GLN A 84 -13.154 -2.663 -1.354 1.00 0.00 C ATOM 1315 CD GLN A 84 -11.980 -2.441 -0.421 1.00 0.00 C ATOM 1316 OE1 GLN A 84 -11.221 -3.366 -0.130 1.00 0.00 O ATOM 1317 NE2 GLN A 84 -11.824 -1.211 0.053 1.00 0.00 N ATOM 0 H GLN A 84 -11.734 -1.669 -4.925 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.749 -2.840 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.674 -1.237 -2.875 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.685 -2.559 -3.424 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.998 -2.060 -1.020 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.465 -3.706 -1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.477 -0.475 -0.215 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.051 -1.002 0.685 1.00 0.00 H new ATOM 1326 N HIS A 85 -12.584 -4.983 -4.386 1.00 0.00 N ATOM 1327 CA HIS A 85 -12.896 -6.400 -4.538 1.00 0.00 C ATOM 1328 C HIS A 85 -11.621 -7.225 -4.679 1.00 0.00 C ATOM 1329 O HIS A 85 -11.573 -8.385 -4.270 1.00 0.00 O ATOM 1330 CB HIS A 85 -13.796 -6.618 -5.755 1.00 0.00 C ATOM 1331 CG HIS A 85 -13.039 -6.914 -7.014 1.00 0.00 C ATOM 1332 ND1 HIS A 85 -12.772 -5.961 -7.973 1.00 0.00 N ATOM 1333 CD2 HIS A 85 -12.491 -8.066 -7.466 1.00 0.00 C ATOM 1334 CE1 HIS A 85 -12.093 -6.514 -8.963 1.00 0.00 C ATOM 1335 NE2 HIS A 85 -11.909 -7.791 -8.679 1.00 0.00 N ATOM 0 H HIS A 85 -12.980 -4.384 -5.110 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.423 -6.729 -3.642 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.479 -7.442 -5.549 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.407 -5.729 -5.909 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.508 -9.023 -6.966 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.748 -6.008 -9.852 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -11.415 -8.464 -9.265 1.00 0.00 H new ATOM 1344 N GLU A 86 -10.590 -6.619 -5.260 1.00 0.00 N ATOM 1345 CA GLU A 86 -9.316 -7.300 -5.456 1.00 0.00 C ATOM 1346 C GLU A 86 -8.533 -7.376 -4.148 1.00 0.00 C ATOM 1347 O GLU A 86 -8.331 -8.457 -3.596 1.00 0.00 O ATOM 1348 CB GLU A 86 -8.485 -6.578 -6.519 1.00 0.00 C ATOM 1349 CG GLU A 86 -8.714 -7.098 -7.928 1.00 0.00 C ATOM 1350 CD GLU A 86 -7.898 -8.340 -8.231 1.00 0.00 C ATOM 1351 OE1 GLU A 86 -6.679 -8.331 -7.959 1.00 0.00 O ATOM 1352 OE2 GLU A 86 -8.479 -9.321 -8.741 1.00 0.00 O ATOM 0 H GLU A 86 -10.612 -5.659 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.524 -8.315 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.720 -5.514 -6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.428 -6.678 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.772 -7.322 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.461 -6.317 -8.645 1.00 0.00 H new ATOM 1359 N ARG A 87 -8.095 -6.220 -3.659 1.00 0.00 N ATOM 1360 CA ARG A 87 -7.334 -6.156 -2.418 1.00 0.00 C ATOM 1361 C ARG A 87 -7.934 -7.080 -1.362 1.00 0.00 C ATOM 1362 O ARG A 87 -7.216 -7.821 -0.691 1.00 0.00 O ATOM 1363 CB ARG A 87 -7.297 -4.719 -1.892 1.00 0.00 C ATOM 1364 CG ARG A 87 -7.137 -3.675 -2.984 1.00 0.00 C ATOM 1365 CD ARG A 87 -6.556 -2.380 -2.436 1.00 0.00 C ATOM 1366 NE ARG A 87 -7.028 -1.213 -3.175 1.00 0.00 N ATOM 1367 CZ ARG A 87 -8.172 -0.591 -2.913 1.00 0.00 C ATOM 1368 NH1 ARG A 87 -8.957 -1.023 -1.936 1.00 0.00 N ATOM 1369 NH2 ARG A 87 -8.534 0.466 -3.630 1.00 0.00 N ATOM 0 H ARG A 87 -8.254 -5.316 -4.104 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.317 -6.486 -2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.216 -4.519 -1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.474 -4.621 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.487 -4.064 -3.768 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.105 -3.475 -3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.827 -2.277 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.468 -2.423 -2.482 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.448 -0.856 -3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.683 -1.835 -1.383 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.835 -0.543 -1.737 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.933 0.801 -4.383 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.413 0.943 -3.428 1.00 0.00 H new ATOM 1383 N ASP A 88 -9.254 -7.030 -1.222 1.00 0.00 N ATOM 1384 CA ASP A 88 -9.952 -7.863 -0.249 1.00 0.00 C ATOM 1385 C ASP A 88 -9.627 -9.338 -0.465 1.00 0.00 C ATOM 1386 O ASP A 88 -9.421 -10.085 0.492 1.00 0.00 O ATOM 1387 CB ASP A 88 -11.462 -7.641 -0.346 1.00 0.00 C ATOM 1388 CG ASP A 88 -12.215 -8.270 0.810 1.00 0.00 C ATOM 1389 OD1 ASP A 88 -12.152 -9.509 0.954 1.00 0.00 O ATOM 1390 OD2 ASP A 88 -12.866 -7.524 1.570 1.00 0.00 O ATOM 0 H ASP A 88 -9.862 -6.422 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.614 -7.577 0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.668 -6.571 -0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.828 -8.058 -1.284 1.00 0.00 H new ATOM 1395 N VAL A 89 -9.585 -9.751 -1.727 1.00 0.00 N ATOM 1396 CA VAL A 89 -9.286 -11.136 -2.069 1.00 0.00 C ATOM 1397 C VAL A 89 -7.872 -11.515 -1.640 1.00 0.00 C ATOM 1398 O VAL A 89 -7.664 -12.539 -0.988 1.00 0.00 O ATOM 1399 CB VAL A 89 -9.436 -11.387 -3.581 1.00 0.00 C ATOM 1400 CG1 VAL A 89 -9.224 -12.859 -3.902 1.00 0.00 C ATOM 1401 CG2 VAL A 89 -10.800 -10.918 -4.065 1.00 0.00 C ATOM 0 H VAL A 89 -9.754 -9.146 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.005 -11.756 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.672 -10.813 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.334 -13.017 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.223 -13.159 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.963 -13.458 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.889 -11.103 -5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.581 -11.464 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.908 -9.851 -3.871 1.00 0.00 H new ATOM 1411 N ILE A 90 -6.905 -10.682 -2.010 1.00 0.00 N ATOM 1412 CA ILE A 90 -5.511 -10.929 -1.662 1.00 0.00 C ATOM 1413 C ILE A 90 -5.341 -11.089 -0.155 1.00 0.00 C ATOM 1414 O ILE A 90 -4.705 -12.035 0.312 1.00 0.00 O ATOM 1415 CB ILE A 90 -4.598 -9.790 -2.152 1.00 0.00 C ATOM 1416 CG1 ILE A 90 -4.671 -9.669 -3.676 1.00 0.00 C ATOM 1417 CG2 ILE A 90 -3.165 -10.028 -1.702 1.00 0.00 C ATOM 1418 CD1 ILE A 90 -4.257 -8.310 -4.195 1.00 0.00 C ATOM 0 H ILE A 90 -7.061 -9.831 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.221 -11.855 -2.159 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.944 -8.853 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.032 -10.430 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.690 -9.878 -4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.532 -9.214 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.128 -10.069 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.806 -10.972 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.333 -8.297 -5.282 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.911 -7.546 -3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.227 -8.107 -3.901 1.00 0.00 H new ATOM 1430 N TYR A 91 -5.914 -10.160 0.602 1.00 0.00 N ATOM 1431 CA TYR A 91 -5.825 -10.197 2.057 1.00 0.00 C ATOM 1432 C TYR A 91 -6.480 -11.459 2.610 1.00 0.00 C ATOM 1433 O TYR A 91 -5.918 -12.135 3.471 1.00 0.00 O ATOM 1434 CB TYR A 91 -6.488 -8.958 2.661 1.00 0.00 C ATOM 1435 CG TYR A 91 -6.003 -7.658 2.060 1.00 0.00 C ATOM 1436 CD1 TYR A 91 -4.645 -7.379 1.962 1.00 0.00 C ATOM 1437 CD2 TYR A 91 -6.902 -6.709 1.589 1.00 0.00 C ATOM 1438 CE1 TYR A 91 -4.198 -6.192 1.415 1.00 0.00 C ATOM 1439 CE2 TYR A 91 -6.464 -5.520 1.039 1.00 0.00 C ATOM 1440 CZ TYR A 91 -5.111 -5.266 0.954 1.00 0.00 C ATOM 1441 OH TYR A 91 -4.669 -4.083 0.407 1.00 0.00 O ATOM 0 H TYR A 91 -6.445 -9.372 0.232 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.770 -10.206 2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -7.567 -9.031 2.525 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.302 -8.944 3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.927 -8.102 2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.962 -6.904 1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.139 -5.990 1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.177 -4.794 0.678 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.964 -4.269 -0.248 1.00 0.00 H new ATOM 1451 N GLU A 92 -7.671 -11.768 2.108 1.00 0.00 N ATOM 1452 CA GLU A 92 -8.403 -12.949 2.552 1.00 0.00 C ATOM 1453 C GLU A 92 -7.616 -14.221 2.254 1.00 0.00 C ATOM 1454 O GLU A 92 -7.297 -14.992 3.159 1.00 0.00 O ATOM 1455 CB GLU A 92 -9.773 -13.012 1.873 1.00 0.00 C ATOM 1456 CG GLU A 92 -10.762 -11.987 2.401 1.00 0.00 C ATOM 1457 CD GLU A 92 -11.117 -12.214 3.857 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -10.279 -11.904 4.729 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -12.235 -12.702 4.125 1.00 0.00 O ATOM 0 H GLU A 92 -8.149 -11.218 1.395 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.543 -12.874 3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.645 -12.862 0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.190 -14.010 2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.341 -10.988 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.671 -12.021 1.800 1.00 0.00 H new ATOM 1466 N GLU A 93 -7.307 -14.434 0.979 1.00 0.00 N ATOM 1467 CA GLU A 93 -6.558 -15.614 0.561 1.00 0.00 C ATOM 1468 C GLU A 93 -5.262 -15.745 1.357 1.00 0.00 C ATOM 1469 O GLU A 93 -4.891 -16.840 1.779 1.00 0.00 O ATOM 1470 CB GLU A 93 -6.246 -15.544 -0.935 1.00 0.00 C ATOM 1471 CG GLU A 93 -7.484 -15.535 -1.815 1.00 0.00 C ATOM 1472 CD GLU A 93 -7.228 -16.126 -3.188 1.00 0.00 C ATOM 1473 OE1 GLU A 93 -7.188 -17.369 -3.300 1.00 0.00 O ATOM 1474 OE2 GLU A 93 -7.069 -15.346 -4.150 1.00 0.00 O ATOM 0 H GLU A 93 -7.563 -13.805 0.218 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.174 -16.492 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.662 -14.645 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.623 -16.396 -1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.278 -16.097 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.840 -14.511 -1.925 1.00 0.00 H new ATOM 1481 N GLU A 94 -4.580 -14.622 1.556 1.00 0.00 N ATOM 1482 CA GLU A 94 -3.326 -14.612 2.299 1.00 0.00 C ATOM 1483 C GLU A 94 -3.561 -14.953 3.768 1.00 0.00 C ATOM 1484 O GLU A 94 -3.090 -15.978 4.262 1.00 0.00 O ATOM 1485 CB GLU A 94 -2.649 -13.245 2.184 1.00 0.00 C ATOM 1486 CG GLU A 94 -1.470 -13.068 3.125 1.00 0.00 C ATOM 1487 CD GLU A 94 -0.256 -13.871 2.697 1.00 0.00 C ATOM 1488 OE1 GLU A 94 0.083 -13.836 1.496 1.00 0.00 O ATOM 1489 OE2 GLU A 94 0.353 -14.533 3.562 1.00 0.00 O ATOM 0 H GLU A 94 -4.875 -13.708 1.213 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.673 -15.370 1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.309 -13.103 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.385 -12.467 2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.204 -12.012 3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.764 -13.369 4.130 1.00 0.00 H new