USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 740 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 53 GLN : amide:sc= -4.66! K(o=-13!,f=-6.2) USER MOD Set 1.2: A 99 GLN : amide:sc= -6.01! C(o=-13!,f=-6.2!) USER MOD Set 1.3: A 102 TYR OH : rot -174:sc= -2.12! USER MOD Set 2.1: A 35 LYS NZ :NH3+ 159:sc= 0.00803 (180deg=0) USER MOD Set 2.2: A 75 MET CE :methyl -145:sc= -0.363 (180deg=-1.38!) USER MOD Set 3.1: A 30 SER OG : rot 143:sc= 0.0804 USER MOD Set 3.2: A 33 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 40:sc= 0.0539 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 128:sc= -0.143 (180deg=-0.863) USER MOD Single : A 31 GLN : amide:sc= -1.56! C(o=-1.6!,f=-1.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.063) USER MOD Single : A 51 HIS : no HD1:sc= -2.53! K(o=-2.5!,f=-1.4) USER MOD Single : A 52 TYR OH : rot -60:sc= -0.263 USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.14) USER MOD Single : A 61 SER OG : rot 180:sc= -0.296 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 135:sc= -0.484 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.679 X(o=-0.68,f=-0.28) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -2.61! K(o=-2.6!,f=-0.02) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -1.57 K(o=-1.6,f=-3.2!) USER MOD Single : A 85 THR OG1 : rot 63:sc= 0.608 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 30:sc= 0.137 USER MOD Single : A 95 ASN : amide:sc= -8.22! C(o=-8.2!,f=-16!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -83:sc= 0.607 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 110 THR OG1 : rot -159:sc= 0.208 USER MOD ----------------------------------------------------------------- ATOM 208 N VAL A 17 -13.023 -12.312 2.068 1.00 0.00 N ATOM 209 CA VAL A 17 -12.269 -11.099 1.779 1.00 0.00 C ATOM 210 C VAL A 17 -10.805 -11.416 1.494 1.00 0.00 C ATOM 211 O VAL A 17 -10.257 -12.411 1.967 1.00 0.00 O ATOM 212 CB VAL A 17 -12.348 -10.098 2.947 1.00 0.00 C ATOM 213 CG1 VAL A 17 -13.764 -9.561 3.097 1.00 0.00 C ATOM 214 CG2 VAL A 17 -11.877 -10.749 4.239 1.00 0.00 C ATOM 0 HA VAL A 17 -12.719 -10.650 0.894 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.688 -9.258 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.800 -8.856 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.061 -9.055 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.448 -10.387 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.939 -10.028 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.509 -11.608 4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.844 -11.079 4.125 1.00 0.00 H new ATOM 224 N PRO A 18 -10.156 -10.550 0.702 1.00 0.00 N ATOM 225 CA PRO A 18 -8.747 -10.715 0.336 1.00 0.00 C ATOM 226 C PRO A 18 -7.810 -10.488 1.518 1.00 0.00 C ATOM 227 O PRO A 18 -8.191 -9.873 2.514 1.00 0.00 O ATOM 228 CB PRO A 18 -8.529 -9.641 -0.733 1.00 0.00 C ATOM 229 CG PRO A 18 -9.557 -8.603 -0.441 1.00 0.00 C ATOM 230 CD PRO A 18 -10.748 -9.342 0.104 1.00 0.00 C ATOM 0 HA PRO A 18 -8.532 -11.727 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.522 -9.227 -0.679 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.653 -10.050 -1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.184 -7.877 0.281 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.820 -8.050 -1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.285 -8.749 0.844 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.461 -9.591 -0.682 1.00 0.00 H new ATOM 238 N SER A 19 -6.584 -10.986 1.401 1.00 0.00 N ATOM 239 CA SER A 19 -5.594 -10.840 2.461 1.00 0.00 C ATOM 240 C SER A 19 -4.846 -9.516 2.328 1.00 0.00 C ATOM 241 O SER A 19 -4.873 -8.880 1.274 1.00 0.00 O ATOM 242 CB SER A 19 -4.603 -12.005 2.427 1.00 0.00 C ATOM 243 OG SER A 19 -5.185 -13.185 2.951 1.00 0.00 O ATOM 0 H SER A 19 -6.252 -11.495 0.582 1.00 0.00 H new ATOM 0 HA SER A 19 -6.118 -10.846 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.278 -12.180 1.401 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.714 -11.747 3.003 1.00 0.00 H new ATOM 0 HG SER A 19 -4.532 -13.915 2.917 1.00 0.00 H new ATOM 249 N SER A 20 -4.180 -9.110 3.403 1.00 0.00 N ATOM 250 CA SER A 20 -3.427 -7.861 3.409 1.00 0.00 C ATOM 251 C SER A 20 -2.220 -7.950 2.479 1.00 0.00 C ATOM 252 O SER A 20 -1.533 -8.969 2.408 1.00 0.00 O ATOM 253 CB SER A 20 -2.968 -7.524 4.830 1.00 0.00 C ATOM 254 OG SER A 20 -2.627 -8.697 5.546 1.00 0.00 O ATOM 0 H SER A 20 -4.146 -9.627 4.281 1.00 0.00 H new ATOM 0 HA SER A 20 -4.083 -7.068 3.050 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.108 -6.856 4.789 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.761 -6.991 5.355 1.00 0.00 H new ATOM 0 HG SER A 20 -2.151 -9.315 4.953 1.00 0.00 H new ATOM 260 N PRO A 21 -1.954 -6.856 1.751 1.00 0.00 N ATOM 261 CA PRO A 21 -0.830 -6.783 0.813 1.00 0.00 C ATOM 262 C PRO A 21 0.518 -6.756 1.526 1.00 0.00 C ATOM 263 O PRO A 21 0.587 -6.541 2.735 1.00 0.00 O ATOM 264 CB PRO A 21 -1.070 -5.466 0.072 1.00 0.00 C ATOM 265 CG PRO A 21 -1.870 -4.639 1.018 1.00 0.00 C ATOM 266 CD PRO A 21 -2.730 -5.604 1.786 1.00 0.00 C ATOM 0 HA PRO A 21 -0.788 -7.654 0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.129 -4.978 -0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.607 -5.630 -0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.221 -4.075 1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.481 -3.913 0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.900 -5.265 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.709 -5.725 1.323 1.00 0.00 H new ATOM 274 N TYR A 22 1.587 -6.975 0.767 1.00 0.00 N ATOM 275 CA TYR A 22 2.933 -6.978 1.326 1.00 0.00 C ATOM 276 C TYR A 22 3.920 -6.311 0.374 1.00 0.00 C ATOM 277 O TYR A 22 3.633 -6.129 -0.809 1.00 0.00 O ATOM 278 CB TYR A 22 3.382 -8.410 1.623 1.00 0.00 C ATOM 279 CG TYR A 22 3.432 -9.295 0.398 1.00 0.00 C ATOM 280 CD1 TYR A 22 4.490 -9.217 -0.498 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.420 -10.211 0.138 1.00 0.00 C ATOM 282 CE1 TYR A 22 4.538 -10.022 -1.619 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.460 -11.023 -0.979 1.00 0.00 C ATOM 284 CZ TYR A 22 3.522 -10.924 -1.855 1.00 0.00 C ATOM 285 OH TYR A 22 3.567 -11.730 -2.969 1.00 0.00 O ATOM 0 H TYR A 22 1.547 -7.153 -0.237 1.00 0.00 H new ATOM 0 HA TYR A 22 2.913 -6.410 2.256 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.370 -8.384 2.083 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.702 -8.851 2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.289 -8.514 -0.315 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.587 -10.290 0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.367 -9.946 -2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.666 -11.730 -1.165 1.00 0.00 H new ATOM 0 HH TYR A 22 2.776 -12.309 -2.986 1.00 0.00 H new ATOM 295 N GLY A 23 5.087 -5.947 0.899 1.00 0.00 N ATOM 296 CA GLY A 23 6.100 -5.306 0.082 1.00 0.00 C ATOM 297 C GLY A 23 5.879 -3.811 -0.046 1.00 0.00 C ATOM 298 O GLY A 23 6.511 -3.151 -0.871 1.00 0.00 O ATOM 0 H GLY A 23 5.348 -6.085 1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.083 -5.489 0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.101 -5.757 -0.910 1.00 0.00 H new ATOM 302 N VAL A 24 4.979 -3.275 0.772 1.00 0.00 N ATOM 303 CA VAL A 24 4.675 -1.849 0.746 1.00 0.00 C ATOM 304 C VAL A 24 5.908 -1.019 1.087 1.00 0.00 C ATOM 305 O VAL A 24 6.323 -0.950 2.244 1.00 0.00 O ATOM 306 CB VAL A 24 3.544 -1.498 1.731 1.00 0.00 C ATOM 307 CG1 VAL A 24 3.168 -0.029 1.610 1.00 0.00 C ATOM 308 CG2 VAL A 24 2.334 -2.388 1.490 1.00 0.00 C ATOM 0 H VAL A 24 4.447 -3.807 1.461 1.00 0.00 H new ATOM 0 HA VAL A 24 4.350 -1.612 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 24 3.901 -1.675 2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.368 0.201 2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.037 0.589 1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.829 0.177 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.544 -2.127 2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.974 -2.244 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.616 -3.431 1.631 1.00 0.00 H new ATOM 318 N LYS A 25 6.489 -0.388 0.072 1.00 0.00 N ATOM 319 CA LYS A 25 7.673 0.440 0.264 1.00 0.00 C ATOM 320 C LYS A 25 7.634 1.663 -0.647 1.00 0.00 C ATOM 321 O LYS A 25 7.279 1.563 -1.822 1.00 0.00 O ATOM 322 CB LYS A 25 8.940 -0.374 -0.013 1.00 0.00 C ATOM 323 CG LYS A 25 8.923 -1.091 -1.351 1.00 0.00 C ATOM 324 CD LYS A 25 9.509 -0.228 -2.454 1.00 0.00 C ATOM 325 CE LYS A 25 11.009 -0.442 -2.591 1.00 0.00 C ATOM 326 NZ LYS A 25 11.338 -1.852 -2.940 1.00 0.00 N ATOM 0 H LYS A 25 6.159 -0.435 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 25 7.685 0.779 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.803 0.290 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.070 -1.109 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.489 -2.019 -1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.899 -1.363 -1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.019 -0.461 -3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.308 0.822 -2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.402 0.224 -3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.501 -0.175 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.959 -1.867 -3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.823 -2.304 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.462 -2.371 -3.151 1.00 0.00 H new ATOM 340 N ILE A 26 8.002 2.816 -0.098 1.00 0.00 N ATOM 341 CA ILE A 26 8.011 4.057 -0.863 1.00 0.00 C ATOM 342 C ILE A 26 9.233 4.134 -1.772 1.00 0.00 C ATOM 343 O ILE A 26 10.342 4.413 -1.316 1.00 0.00 O ATOM 344 CB ILE A 26 7.997 5.289 0.063 1.00 0.00 C ATOM 345 CG1 ILE A 26 6.955 5.110 1.169 1.00 0.00 C ATOM 346 CG2 ILE A 26 7.717 6.550 -0.738 1.00 0.00 C ATOM 347 CD1 ILE A 26 5.552 4.891 0.648 1.00 0.00 C ATOM 0 H ILE A 26 8.298 2.917 0.873 1.00 0.00 H new ATOM 0 HA ILE A 26 7.107 4.059 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 26 8.978 5.388 0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.239 4.261 1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.962 5.992 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.710 7.411 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.493 6.682 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.747 6.463 -1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.867 4.772 1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.248 5.750 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.529 3.993 0.031 1.00 0.00 H new ATOM 359 N ILE A 27 9.020 3.885 -3.060 1.00 0.00 N ATOM 360 CA ILE A 27 10.103 3.928 -4.035 1.00 0.00 C ATOM 361 C ILE A 27 10.517 5.366 -4.333 1.00 0.00 C ATOM 362 O ILE A 27 11.705 5.683 -4.372 1.00 0.00 O ATOM 363 CB ILE A 27 9.703 3.238 -5.352 1.00 0.00 C ATOM 364 CG1 ILE A 27 8.436 3.876 -5.923 1.00 0.00 C ATOM 365 CG2 ILE A 27 9.497 1.747 -5.126 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.956 3.226 -7.203 1.00 0.00 C ATOM 0 H ILE A 27 8.108 3.652 -3.452 1.00 0.00 H new ATOM 0 HA ILE A 27 10.945 3.393 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 27 10.509 3.369 -6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.643 3.820 -5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.624 4.933 -6.110 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.215 1.272 -6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.423 1.303 -4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.706 1.596 -4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.054 3.730 -7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.732 3.305 -7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.736 2.175 -7.017 1.00 0.00 H new ATOM 378 N GLU A 28 9.528 6.229 -4.540 1.00 0.00 N ATOM 379 CA GLU A 28 9.790 7.633 -4.834 1.00 0.00 C ATOM 380 C GLU A 28 9.221 8.533 -3.741 1.00 0.00 C ATOM 381 O GLU A 28 8.022 8.811 -3.711 1.00 0.00 O ATOM 382 CB GLU A 28 9.189 8.015 -6.189 1.00 0.00 C ATOM 383 CG GLU A 28 9.802 7.265 -7.360 1.00 0.00 C ATOM 384 CD GLU A 28 9.779 8.070 -8.644 1.00 0.00 C ATOM 385 OE1 GLU A 28 8.975 9.022 -8.734 1.00 0.00 O ATOM 386 OE2 GLU A 28 10.565 7.748 -9.560 1.00 0.00 O ATOM 0 H GLU A 28 8.539 5.981 -4.510 1.00 0.00 H new ATOM 0 HA GLU A 28 10.870 7.774 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.116 7.824 -6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.319 9.086 -6.346 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.832 7.002 -7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.261 6.331 -7.511 1.00 0.00 H new ATOM 393 N LEU A 29 10.090 8.985 -2.843 1.00 0.00 N ATOM 394 CA LEU A 29 9.676 9.853 -1.747 1.00 0.00 C ATOM 395 C LEU A 29 10.085 11.298 -2.013 1.00 0.00 C ATOM 396 O LEU A 29 11.238 11.578 -2.340 1.00 0.00 O ATOM 397 CB LEU A 29 10.288 9.372 -0.430 1.00 0.00 C ATOM 398 CG LEU A 29 9.800 10.080 0.834 1.00 0.00 C ATOM 399 CD1 LEU A 29 8.352 9.716 1.126 1.00 0.00 C ATOM 400 CD2 LEU A 29 10.688 9.728 2.018 1.00 0.00 C ATOM 0 H LEU A 29 11.086 8.764 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 29 8.589 9.810 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.086 8.306 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.370 9.487 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 29 9.856 11.156 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.023 10.230 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.725 10.018 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.270 8.639 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.326 10.241 2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.663 8.651 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.712 10.040 1.810 1.00 0.00 H new ATOM 412 N SER A 30 9.132 12.214 -1.868 1.00 0.00 N ATOM 413 CA SER A 30 9.393 13.631 -2.093 1.00 0.00 C ATOM 414 C SER A 30 9.156 14.436 -0.820 1.00 0.00 C ATOM 415 O SER A 30 8.866 13.876 0.236 1.00 0.00 O ATOM 416 CB SER A 30 8.504 14.162 -3.220 1.00 0.00 C ATOM 417 OG SER A 30 8.639 13.375 -4.390 1.00 0.00 O ATOM 0 H SER A 30 8.173 12.000 -1.596 1.00 0.00 H new ATOM 0 HA SER A 30 10.438 13.742 -2.382 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.463 14.163 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.770 15.196 -3.441 1.00 0.00 H new ATOM 0 HG SER A 30 7.770 13.303 -4.838 1.00 0.00 H new ATOM 423 N GLN A 31 9.280 15.755 -0.929 1.00 0.00 N ATOM 424 CA GLN A 31 9.080 16.638 0.213 1.00 0.00 C ATOM 425 C GLN A 31 7.603 16.977 0.387 1.00 0.00 C ATOM 426 O GLN A 31 7.168 17.370 1.471 1.00 0.00 O ATOM 427 CB GLN A 31 9.893 17.923 0.040 1.00 0.00 C ATOM 428 CG GLN A 31 9.825 18.501 -1.364 1.00 0.00 C ATOM 429 CD GLN A 31 10.921 17.969 -2.268 1.00 0.00 C ATOM 430 OE1 GLN A 31 10.657 17.508 -3.377 1.00 0.00 O ATOM 431 NE2 GLN A 31 12.161 18.033 -1.795 1.00 0.00 N ATOM 0 H GLN A 31 9.518 16.235 -1.797 1.00 0.00 H new ATOM 0 HA GLN A 31 9.423 16.117 1.107 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.533 18.669 0.749 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.934 17.721 0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.854 18.269 -1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.899 19.587 -1.310 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.334 18.424 -0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.940 17.692 -2.358 1.00 0.00 H new ATOM 440 N THR A 32 6.835 16.825 -0.687 1.00 0.00 N ATOM 441 CA THR A 32 5.408 17.115 -0.653 1.00 0.00 C ATOM 442 C THR A 32 4.588 15.897 -1.069 1.00 0.00 C ATOM 443 O THR A 32 3.455 15.718 -0.623 1.00 0.00 O ATOM 444 CB THR A 32 5.053 18.296 -1.576 1.00 0.00 C ATOM 445 OG1 THR A 32 5.648 18.107 -2.865 1.00 0.00 O ATOM 446 CG2 THR A 32 5.532 19.611 -0.979 1.00 0.00 C ATOM 0 H THR A 32 7.178 16.502 -1.592 1.00 0.00 H new ATOM 0 HA THR A 32 5.164 17.380 0.376 1.00 0.00 H new ATOM 0 HB THR A 32 3.969 18.335 -1.679 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.416 18.861 -3.446 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.270 20.431 -1.648 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.055 19.766 -0.011 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.614 19.579 -0.850 1.00 0.00 H new ATOM 454 N THR A 33 5.170 15.062 -1.924 1.00 0.00 N ATOM 455 CA THR A 33 4.494 13.862 -2.400 1.00 0.00 C ATOM 456 C THR A 33 5.205 12.603 -1.917 1.00 0.00 C ATOM 457 O THR A 33 6.333 12.664 -1.430 1.00 0.00 O ATOM 458 CB THR A 33 4.412 13.835 -3.937 1.00 0.00 C ATOM 459 OG1 THR A 33 5.701 14.103 -4.501 1.00 0.00 O ATOM 460 CG2 THR A 33 3.408 14.860 -4.445 1.00 0.00 C ATOM 0 H THR A 33 6.108 15.195 -2.301 1.00 0.00 H new ATOM 0 HA THR A 33 3.484 13.885 -1.991 1.00 0.00 H new ATOM 0 HB THR A 33 4.080 12.843 -4.243 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.641 14.082 -5.479 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.368 14.822 -5.534 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.422 14.636 -4.038 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.714 15.857 -4.128 1.00 0.00 H new ATOM 468 N ALA A 34 4.538 11.462 -2.057 1.00 0.00 N ATOM 469 CA ALA A 34 5.108 10.188 -1.638 1.00 0.00 C ATOM 470 C ALA A 34 4.514 9.032 -2.436 1.00 0.00 C ATOM 471 O ALA A 34 3.312 8.772 -2.373 1.00 0.00 O ATOM 472 CB ALA A 34 4.884 9.974 -0.149 1.00 0.00 C ATOM 0 H ALA A 34 3.602 11.394 -2.457 1.00 0.00 H new ATOM 0 HA ALA A 34 6.180 10.216 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.315 9.019 0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.362 10.778 0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.814 9.971 0.061 1.00 0.00 H new ATOM 478 N LYS A 35 5.364 8.341 -3.188 1.00 0.00 N ATOM 479 CA LYS A 35 4.924 7.212 -3.999 1.00 0.00 C ATOM 480 C LYS A 35 5.054 5.903 -3.226 1.00 0.00 C ATOM 481 O LYS A 35 6.154 5.497 -2.851 1.00 0.00 O ATOM 482 CB LYS A 35 5.742 7.135 -5.290 1.00 0.00 C ATOM 483 CG LYS A 35 5.155 6.194 -6.327 1.00 0.00 C ATOM 484 CD LYS A 35 5.943 6.233 -7.626 1.00 0.00 C ATOM 485 CE LYS A 35 5.487 7.377 -8.520 1.00 0.00 C ATOM 486 NZ LYS A 35 6.231 7.403 -9.809 1.00 0.00 N ATOM 0 H LYS A 35 6.362 8.543 -3.253 1.00 0.00 H new ATOM 0 HA LYS A 35 3.874 7.365 -4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.820 8.133 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.755 6.811 -5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.149 5.177 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.118 6.467 -6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.005 6.343 -7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.823 5.287 -8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.420 7.280 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.629 8.324 -7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.683 7.935 -10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.153 7.863 -9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.377 6.430 -10.145 1.00 0.00 H new ATOM 500 N VAL A 36 3.923 5.245 -2.991 1.00 0.00 N ATOM 501 CA VAL A 36 3.910 3.981 -2.263 1.00 0.00 C ATOM 502 C VAL A 36 3.682 2.806 -3.208 1.00 0.00 C ATOM 503 O VAL A 36 2.609 2.669 -3.796 1.00 0.00 O ATOM 504 CB VAL A 36 2.821 3.970 -1.175 1.00 0.00 C ATOM 505 CG1 VAL A 36 1.441 4.116 -1.799 1.00 0.00 C ATOM 506 CG2 VAL A 36 2.908 2.697 -0.347 1.00 0.00 C ATOM 0 H VAL A 36 3.004 5.566 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 36 4.886 3.879 -1.789 1.00 0.00 H new ATOM 0 HB VAL A 36 2.986 4.819 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.684 4.106 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.386 5.058 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.263 3.288 -2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.131 2.706 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.770 1.831 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.886 2.640 0.131 1.00 0.00 H new ATOM 516 N SER A 37 4.698 1.961 -3.349 1.00 0.00 N ATOM 517 CA SER A 37 4.609 0.799 -4.225 1.00 0.00 C ATOM 518 C SER A 37 4.518 -0.489 -3.412 1.00 0.00 C ATOM 519 O SER A 37 5.340 -0.739 -2.531 1.00 0.00 O ATOM 520 CB SER A 37 5.821 0.743 -5.157 1.00 0.00 C ATOM 521 OG SER A 37 5.763 -0.394 -6.001 1.00 0.00 O ATOM 0 H SER A 37 5.592 2.059 -2.868 1.00 0.00 H new ATOM 0 HA SER A 37 3.703 0.895 -4.824 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.860 1.648 -5.763 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.737 0.715 -4.567 1.00 0.00 H new ATOM 0 HG SER A 37 6.548 -0.406 -6.588 1.00 0.00 H new ATOM 527 N PHE A 38 3.512 -1.303 -3.715 1.00 0.00 N ATOM 528 CA PHE A 38 3.312 -2.565 -3.012 1.00 0.00 C ATOM 529 C PHE A 38 2.967 -3.683 -3.991 1.00 0.00 C ATOM 530 O PHE A 38 2.720 -3.436 -5.171 1.00 0.00 O ATOM 531 CB PHE A 38 2.200 -2.422 -1.971 1.00 0.00 C ATOM 532 CG PHE A 38 0.939 -1.817 -2.519 1.00 0.00 C ATOM 533 CD1 PHE A 38 0.780 -0.442 -2.570 1.00 0.00 C ATOM 534 CD2 PHE A 38 -0.087 -2.624 -2.984 1.00 0.00 C ATOM 535 CE1 PHE A 38 -0.379 0.118 -3.073 1.00 0.00 C ATOM 536 CE2 PHE A 38 -1.248 -2.070 -3.489 1.00 0.00 C ATOM 537 CZ PHE A 38 -1.395 -0.697 -3.533 1.00 0.00 C ATOM 0 H PHE A 38 2.823 -1.111 -4.442 1.00 0.00 H new ATOM 0 HA PHE A 38 4.243 -2.823 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.972 -3.404 -1.557 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.561 -1.806 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.571 0.200 -2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.022 -3.698 -2.951 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.490 1.192 -3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.040 -2.710 -3.849 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.302 -0.262 -3.926 1.00 0.00 H new ATOM 547 N ASN A 39 2.952 -4.915 -3.491 1.00 0.00 N ATOM 548 CA ASN A 39 2.639 -6.072 -4.321 1.00 0.00 C ATOM 549 C ASN A 39 1.318 -6.706 -3.895 1.00 0.00 C ATOM 550 O ASN A 39 1.080 -6.932 -2.709 1.00 0.00 O ATOM 551 CB ASN A 39 3.764 -7.106 -4.238 1.00 0.00 C ATOM 552 CG ASN A 39 5.095 -6.550 -4.705 1.00 0.00 C ATOM 553 OD1 ASN A 39 5.262 -6.212 -5.878 1.00 0.00 O ATOM 554 ND2 ASN A 39 6.051 -6.454 -3.788 1.00 0.00 N ATOM 0 H ASN A 39 3.153 -5.137 -2.516 1.00 0.00 H new ATOM 0 HA ASN A 39 2.543 -5.732 -5.352 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.859 -7.454 -3.209 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.502 -7.973 -4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.968 -6.088 -4.044 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.868 -6.746 -2.828 1.00 0.00 H new ATOM 561 N LYS A 40 0.463 -6.991 -4.870 1.00 0.00 N ATOM 562 CA LYS A 40 -0.833 -7.601 -4.599 1.00 0.00 C ATOM 563 C LYS A 40 -0.685 -8.806 -3.675 1.00 0.00 C ATOM 564 O LYS A 40 0.352 -9.468 -3.642 1.00 0.00 O ATOM 565 CB LYS A 40 -1.505 -8.026 -5.907 1.00 0.00 C ATOM 566 CG LYS A 40 -1.502 -6.942 -6.971 1.00 0.00 C ATOM 567 CD LYS A 40 -2.717 -7.049 -7.878 1.00 0.00 C ATOM 568 CE LYS A 40 -2.709 -8.348 -8.670 1.00 0.00 C ATOM 569 NZ LYS A 40 -3.428 -8.211 -9.966 1.00 0.00 N ATOM 0 H LYS A 40 0.644 -6.809 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.458 -6.859 -4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.997 -8.908 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.535 -8.317 -5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.488 -5.962 -6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.593 -7.019 -7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.626 -6.993 -7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.735 -6.203 -8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.679 -8.653 -8.856 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.174 -9.137 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.400 -9.117 -10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.417 -7.944 -9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.970 -7.476 -10.541 1.00 0.00 H new ATOM 583 N PRO A 41 -1.745 -9.100 -2.909 1.00 0.00 N ATOM 584 CA PRO A 41 -1.758 -10.228 -1.974 1.00 0.00 C ATOM 585 C PRO A 41 -1.779 -11.575 -2.690 1.00 0.00 C ATOM 586 O PRO A 41 -2.437 -11.731 -3.718 1.00 0.00 O ATOM 587 CB PRO A 41 -3.054 -10.022 -1.186 1.00 0.00 C ATOM 588 CG PRO A 41 -3.932 -9.239 -2.099 1.00 0.00 C ATOM 589 CD PRO A 41 -3.015 -8.353 -2.898 1.00 0.00 C ATOM 0 HA PRO A 41 -0.864 -10.251 -1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.510 -10.975 -0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.870 -9.484 -0.256 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.503 -9.899 -2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.653 -8.647 -1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.393 -8.188 -3.907 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.901 -7.372 -2.436 1.00 0.00 H new ATOM 652 N VAL A 47 -13.222 -14.057 -5.420 1.00 0.00 N ATOM 653 CA VAL A 47 -13.529 -12.962 -6.333 1.00 0.00 C ATOM 654 C VAL A 47 -12.308 -12.079 -6.563 1.00 0.00 C ATOM 655 O VAL A 47 -11.481 -11.875 -5.674 1.00 0.00 O ATOM 656 CB VAL A 47 -14.684 -12.093 -5.798 1.00 0.00 C ATOM 657 CG1 VAL A 47 -15.971 -12.900 -5.728 1.00 0.00 C ATOM 658 CG2 VAL A 47 -14.331 -11.519 -4.434 1.00 0.00 C ATOM 0 HA VAL A 47 -13.830 -13.413 -7.278 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.840 -11.263 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.775 -12.270 -5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.230 -13.258 -6.724 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.831 -13.751 -5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.158 -10.908 -4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.147 -12.333 -3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.435 -10.904 -4.519 1.00 0.00 H new ATOM 668 N PRO A 48 -12.190 -11.540 -7.786 1.00 0.00 N ATOM 669 CA PRO A 48 -11.074 -10.668 -8.162 1.00 0.00 C ATOM 670 C PRO A 48 -11.134 -9.314 -7.464 1.00 0.00 C ATOM 671 O PRO A 48 -12.164 -8.639 -7.489 1.00 0.00 O ATOM 672 CB PRO A 48 -11.248 -10.499 -9.673 1.00 0.00 C ATOM 673 CG PRO A 48 -12.702 -10.724 -9.913 1.00 0.00 C ATOM 674 CD PRO A 48 -13.138 -11.740 -8.895 1.00 0.00 C ATOM 0 HA PRO A 48 -10.112 -11.092 -7.875 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.942 -9.505 -9.998 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.640 -11.216 -10.224 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.264 -9.796 -9.803 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.879 -11.086 -10.926 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -14.168 -11.575 -8.578 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.085 -12.754 -9.291 1.00 0.00 H new ATOM 682 N ILE A 49 -10.027 -8.923 -6.843 1.00 0.00 N ATOM 683 CA ILE A 49 -9.955 -7.648 -6.141 1.00 0.00 C ATOM 684 C ILE A 49 -10.436 -6.504 -7.026 1.00 0.00 C ATOM 685 O ILE A 49 -9.978 -6.346 -8.158 1.00 0.00 O ATOM 686 CB ILE A 49 -8.521 -7.346 -5.666 1.00 0.00 C ATOM 687 CG1 ILE A 49 -8.031 -8.446 -4.721 1.00 0.00 C ATOM 688 CG2 ILE A 49 -8.464 -5.989 -4.982 1.00 0.00 C ATOM 689 CD1 ILE A 49 -6.543 -8.395 -4.455 1.00 0.00 C ATOM 0 H ILE A 49 -9.167 -9.471 -6.812 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.607 -7.731 -5.272 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.864 -7.320 -6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.564 -8.364 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.283 -9.418 -5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.444 -5.790 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.776 -5.215 -5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.131 -5.988 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.267 -9.203 -3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.001 -8.507 -5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.287 -7.438 -4.001 1.00 0.00 H new ATOM 701 N HIS A 50 -11.362 -5.707 -6.502 1.00 0.00 N ATOM 702 CA HIS A 50 -11.905 -4.575 -7.244 1.00 0.00 C ATOM 703 C HIS A 50 -10.908 -3.420 -7.279 1.00 0.00 C ATOM 704 O HIS A 50 -10.493 -2.978 -8.351 1.00 0.00 O ATOM 705 CB HIS A 50 -13.220 -4.110 -6.617 1.00 0.00 C ATOM 706 CG HIS A 50 -14.166 -3.491 -7.599 1.00 0.00 C ATOM 707 ND1 HIS A 50 -15.071 -2.509 -7.258 1.00 0.00 N ATOM 708 CD2 HIS A 50 -14.344 -3.721 -8.922 1.00 0.00 C ATOM 709 CE1 HIS A 50 -15.765 -2.161 -8.326 1.00 0.00 C ATOM 710 NE2 HIS A 50 -15.344 -2.882 -9.349 1.00 0.00 N ATOM 0 H HIS A 50 -11.752 -5.824 -5.567 1.00 0.00 H new ATOM 0 HA HIS A 50 -12.094 -4.900 -8.267 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.708 -4.961 -6.142 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.002 -3.388 -5.830 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.801 -4.431 -9.528 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -16.544 -1.414 -8.358 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.703 -2.825 -10.302 1.00 0.00 H new ATOM 719 N HIS A 51 -10.528 -2.936 -6.102 1.00 0.00 N ATOM 720 CA HIS A 51 -9.580 -1.833 -5.998 1.00 0.00 C ATOM 721 C HIS A 51 -8.824 -1.889 -4.674 1.00 0.00 C ATOM 722 O HIS A 51 -8.982 -2.831 -3.897 1.00 0.00 O ATOM 723 CB HIS A 51 -10.307 -0.494 -6.127 1.00 0.00 C ATOM 724 CG HIS A 51 -11.106 -0.126 -4.915 1.00 0.00 C ATOM 725 ND1 HIS A 51 -12.226 -0.822 -4.512 1.00 0.00 N ATOM 726 CD2 HIS A 51 -10.939 0.870 -4.014 1.00 0.00 C ATOM 727 CE1 HIS A 51 -12.715 -0.268 -3.417 1.00 0.00 C ATOM 728 NE2 HIS A 51 -11.951 0.760 -3.093 1.00 0.00 N ATOM 0 H HIS A 51 -10.862 -3.290 -5.206 1.00 0.00 H new ATOM 0 HA HIS A 51 -8.860 -1.927 -6.811 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.575 0.290 -6.321 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.970 -0.532 -6.991 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -10.155 1.613 -4.019 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -13.590 -0.599 -2.878 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.090 1.372 -2.289 1.00 0.00 H new ATOM 737 N TYR A 52 -8.001 -0.876 -4.425 1.00 0.00 N ATOM 738 CA TYR A 52 -7.219 -0.812 -3.197 1.00 0.00 C ATOM 739 C TYR A 52 -7.506 0.478 -2.434 1.00 0.00 C ATOM 740 O TYR A 52 -7.567 1.558 -3.022 1.00 0.00 O ATOM 741 CB TYR A 52 -5.725 -0.908 -3.514 1.00 0.00 C ATOM 742 CG TYR A 52 -5.277 -2.298 -3.904 1.00 0.00 C ATOM 743 CD1 TYR A 52 -5.305 -2.711 -5.231 1.00 0.00 C ATOM 744 CD2 TYR A 52 -4.825 -3.198 -2.947 1.00 0.00 C ATOM 745 CE1 TYR A 52 -4.898 -3.981 -5.592 1.00 0.00 C ATOM 746 CE2 TYR A 52 -4.414 -4.468 -3.300 1.00 0.00 C ATOM 747 CZ TYR A 52 -4.453 -4.856 -4.623 1.00 0.00 C ATOM 748 OH TYR A 52 -4.044 -6.121 -4.979 1.00 0.00 O ATOM 0 H TYR A 52 -7.859 -0.089 -5.057 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.506 -1.655 -2.569 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.489 -0.219 -4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.156 -0.583 -2.643 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.651 -2.028 -5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.795 -2.899 -1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.928 -4.287 -6.627 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.064 -5.155 -2.544 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.787 -6.597 -5.405 1.00 0.00 H new ATOM 758 N GLN A 53 -7.680 0.356 -1.123 1.00 0.00 N ATOM 759 CA GLN A 53 -7.961 1.512 -0.279 1.00 0.00 C ATOM 760 C GLN A 53 -6.731 1.904 0.533 1.00 0.00 C ATOM 761 O GLN A 53 -6.142 1.076 1.228 1.00 0.00 O ATOM 762 CB GLN A 53 -9.132 1.212 0.659 1.00 0.00 C ATOM 763 CG GLN A 53 -9.742 2.455 1.286 1.00 0.00 C ATOM 764 CD GLN A 53 -9.044 2.865 2.567 1.00 0.00 C ATOM 765 OE1 GLN A 53 -9.254 2.264 3.622 1.00 0.00 O ATOM 766 NE2 GLN A 53 -8.208 3.893 2.483 1.00 0.00 N ATOM 0 H GLN A 53 -7.632 -0.531 -0.622 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.228 2.347 -0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.904 0.679 0.104 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.791 0.545 1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.695 3.277 0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.796 2.272 1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.064 4.362 1.589 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.710 4.214 3.313 1.00 0.00 H new ATOM 775 N VAL A 54 -6.349 3.174 0.442 1.00 0.00 N ATOM 776 CA VAL A 54 -5.190 3.678 1.170 1.00 0.00 C ATOM 777 C VAL A 54 -5.576 4.829 2.091 1.00 0.00 C ATOM 778 O VAL A 54 -6.326 5.724 1.703 1.00 0.00 O ATOM 779 CB VAL A 54 -4.086 4.153 0.207 1.00 0.00 C ATOM 780 CG1 VAL A 54 -2.863 4.616 0.983 1.00 0.00 C ATOM 781 CG2 VAL A 54 -3.721 3.048 -0.772 1.00 0.00 C ATOM 0 H VAL A 54 -6.825 3.873 -0.129 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.809 2.851 1.769 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.466 5.000 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.094 4.948 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.139 5.442 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.478 3.791 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.940 3.401 -1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.360 2.179 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.601 2.771 -1.352 1.00 0.00 H new ATOM 791 N ASP A 55 -5.060 4.799 3.315 1.00 0.00 N ATOM 792 CA ASP A 55 -5.349 5.842 4.293 1.00 0.00 C ATOM 793 C ASP A 55 -4.060 6.423 4.865 1.00 0.00 C ATOM 794 O ASP A 55 -3.261 5.710 5.473 1.00 0.00 O ATOM 795 CB ASP A 55 -6.216 5.284 5.422 1.00 0.00 C ATOM 796 CG ASP A 55 -7.052 6.356 6.093 1.00 0.00 C ATOM 797 OD1 ASP A 55 -6.862 7.547 5.768 1.00 0.00 O ATOM 798 OD2 ASP A 55 -7.897 6.004 6.942 1.00 0.00 O ATOM 0 H ASP A 55 -4.439 4.064 3.654 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.893 6.640 3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.873 4.511 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.577 4.807 6.165 1.00 0.00 H new ATOM 803 N VAL A 56 -3.862 7.723 4.664 1.00 0.00 N ATOM 804 CA VAL A 56 -2.671 8.401 5.159 1.00 0.00 C ATOM 805 C VAL A 56 -3.040 9.569 6.066 1.00 0.00 C ATOM 806 O VAL A 56 -4.083 10.200 5.890 1.00 0.00 O ATOM 807 CB VAL A 56 -1.798 8.919 4.001 1.00 0.00 C ATOM 808 CG1 VAL A 56 -2.509 10.037 3.256 1.00 0.00 C ATOM 809 CG2 VAL A 56 -0.447 9.388 4.521 1.00 0.00 C ATOM 0 H VAL A 56 -4.512 8.327 4.161 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.104 7.667 5.731 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.628 8.100 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.877 10.391 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.449 9.663 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.711 10.860 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.157 9.751 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.594 10.193 5.241 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.065 8.557 5.006 1.00 0.00 H new ATOM 819 N LYS A 57 -2.178 9.854 7.036 1.00 0.00 N ATOM 820 CA LYS A 57 -2.411 10.948 7.970 1.00 0.00 C ATOM 821 C LYS A 57 -1.180 11.195 8.837 1.00 0.00 C ATOM 822 O LYS A 57 -0.401 10.280 9.098 1.00 0.00 O ATOM 823 CB LYS A 57 -3.619 10.640 8.858 1.00 0.00 C ATOM 824 CG LYS A 57 -3.682 11.489 10.115 1.00 0.00 C ATOM 825 CD LYS A 57 -4.711 10.955 11.098 1.00 0.00 C ATOM 826 CE LYS A 57 -4.140 9.829 11.946 1.00 0.00 C ATOM 827 NZ LYS A 57 -2.971 10.279 12.751 1.00 0.00 N ATOM 0 H LYS A 57 -1.311 9.341 7.196 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.613 11.849 7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.531 10.792 8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.592 9.588 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.701 11.511 10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.930 12.516 9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.051 11.763 11.746 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.584 10.595 10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.914 9.447 12.612 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.840 9.004 11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.590 9.475 13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.235 10.651 12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.270 11.026 13.410 1.00 0.00 H new ATOM 841 N GLU A 58 -1.013 12.438 9.280 1.00 0.00 N ATOM 842 CA GLU A 58 0.123 12.803 10.117 1.00 0.00 C ATOM 843 C GLU A 58 0.074 12.066 11.453 1.00 0.00 C ATOM 844 O GLU A 58 -0.984 11.945 12.069 1.00 0.00 O ATOM 845 CB GLU A 58 0.142 14.315 10.357 1.00 0.00 C ATOM 846 CG GLU A 58 0.945 15.085 9.321 1.00 0.00 C ATOM 847 CD GLU A 58 0.416 16.488 9.099 1.00 0.00 C ATOM 848 OE1 GLU A 58 -0.784 16.626 8.780 1.00 0.00 O ATOM 849 OE2 GLU A 58 1.201 17.448 9.244 1.00 0.00 O ATOM 0 H GLU A 58 -1.650 13.208 9.073 1.00 0.00 H new ATOM 0 HA GLU A 58 1.035 12.513 9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.883 14.687 10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.556 14.512 11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.986 15.139 9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.929 14.541 8.377 1.00 0.00 H new ATOM 856 N VAL A 59 1.228 11.575 11.892 1.00 0.00 N ATOM 857 CA VAL A 59 1.318 10.850 13.154 1.00 0.00 C ATOM 858 C VAL A 59 0.724 11.662 14.299 1.00 0.00 C ATOM 859 O VAL A 59 0.359 11.114 15.339 1.00 0.00 O ATOM 860 CB VAL A 59 2.778 10.496 13.495 1.00 0.00 C ATOM 861 CG1 VAL A 59 3.673 11.716 13.342 1.00 0.00 C ATOM 862 CG2 VAL A 59 2.873 9.927 14.903 1.00 0.00 C ATOM 0 H VAL A 59 2.113 11.666 11.393 1.00 0.00 H new ATOM 0 HA VAL A 59 0.747 9.930 13.031 1.00 0.00 H new ATOM 0 HB VAL A 59 3.122 9.734 12.796 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.700 11.447 13.587 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.627 12.074 12.314 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.334 12.503 14.016 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.911 9.682 15.127 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.511 10.665 15.619 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.265 9.025 14.973 1.00 0.00 H new ATOM 872 N ALA A 60 0.627 12.972 14.100 1.00 0.00 N ATOM 873 CA ALA A 60 0.074 13.861 15.114 1.00 0.00 C ATOM 874 C ALA A 60 -1.396 14.159 14.840 1.00 0.00 C ATOM 875 O ALA A 60 -2.205 14.245 15.764 1.00 0.00 O ATOM 876 CB ALA A 60 0.874 15.154 15.177 1.00 0.00 C ATOM 0 H ALA A 60 0.925 13.442 13.245 1.00 0.00 H new ATOM 0 HA ALA A 60 0.142 13.358 16.078 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.449 15.808 15.939 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.910 14.929 15.429 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.836 15.653 14.209 1.00 0.00 H new ATOM 882 N SER A 61 -1.736 14.316 13.564 1.00 0.00 N ATOM 883 CA SER A 61 -3.108 14.610 13.170 1.00 0.00 C ATOM 884 C SER A 61 -4.043 13.471 13.568 1.00 0.00 C ATOM 885 O SER A 61 -3.595 12.400 13.973 1.00 0.00 O ATOM 886 CB SER A 61 -3.187 14.845 11.660 1.00 0.00 C ATOM 887 OG SER A 61 -4.524 15.074 11.249 1.00 0.00 O ATOM 0 H SER A 61 -1.080 14.244 12.786 1.00 0.00 H new ATOM 0 HA SER A 61 -3.424 15.515 13.689 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.568 15.700 11.389 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.784 13.980 11.133 1.00 0.00 H new ATOM 0 HG SER A 61 -4.548 15.223 10.281 1.00 0.00 H new ATOM 893 N GLU A 62 -5.345 13.714 13.449 1.00 0.00 N ATOM 894 CA GLU A 62 -6.343 12.710 13.797 1.00 0.00 C ATOM 895 C GLU A 62 -7.248 12.407 12.608 1.00 0.00 C ATOM 896 O GLU A 62 -7.934 11.385 12.580 1.00 0.00 O ATOM 897 CB GLU A 62 -7.184 13.186 14.984 1.00 0.00 C ATOM 898 CG GLU A 62 -7.801 14.560 14.781 1.00 0.00 C ATOM 899 CD GLU A 62 -8.384 15.133 16.058 1.00 0.00 C ATOM 900 OE1 GLU A 62 -7.600 15.505 16.955 1.00 0.00 O ATOM 901 OE2 GLU A 62 -9.627 15.208 16.160 1.00 0.00 O ATOM 0 H GLU A 62 -5.732 14.596 13.115 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.819 11.795 14.075 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.979 12.464 15.168 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.559 13.206 15.877 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.043 15.241 14.395 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.584 14.494 14.026 1.00 0.00 H new ATOM 908 N ILE A 63 -7.244 13.302 11.625 1.00 0.00 N ATOM 909 CA ILE A 63 -8.064 13.131 10.432 1.00 0.00 C ATOM 910 C ILE A 63 -7.383 12.210 9.425 1.00 0.00 C ATOM 911 O ILE A 63 -6.289 12.503 8.943 1.00 0.00 O ATOM 912 CB ILE A 63 -8.364 14.482 9.756 1.00 0.00 C ATOM 913 CG1 ILE A 63 -9.163 15.383 10.699 1.00 0.00 C ATOM 914 CG2 ILE A 63 -9.118 14.265 8.453 1.00 0.00 C ATOM 915 CD1 ILE A 63 -9.054 16.854 10.365 1.00 0.00 C ATOM 0 H ILE A 63 -6.682 14.153 11.632 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.002 12.681 10.756 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.420 14.976 9.528 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.212 15.088 10.668 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.817 15.224 11.720 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.323 15.229 7.987 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.514 13.657 7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.059 13.753 8.658 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.645 17.433 11.074 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.011 17.164 10.424 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.427 17.027 9.356 1.00 0.00 H new ATOM 927 N TRP A 64 -8.039 11.099 9.111 1.00 0.00 N ATOM 928 CA TRP A 64 -7.497 10.136 8.159 1.00 0.00 C ATOM 929 C TRP A 64 -7.941 10.467 6.738 1.00 0.00 C ATOM 930 O TRP A 64 -9.127 10.670 6.478 1.00 0.00 O ATOM 931 CB TRP A 64 -7.940 8.719 8.527 1.00 0.00 C ATOM 932 CG TRP A 64 -7.133 8.114 9.636 1.00 0.00 C ATOM 933 CD1 TRP A 64 -7.426 8.134 10.970 1.00 0.00 C ATOM 934 CD2 TRP A 64 -5.898 7.401 9.506 1.00 0.00 C ATOM 935 NE1 TRP A 64 -6.448 7.477 11.675 1.00 0.00 N ATOM 936 CE2 TRP A 64 -5.500 7.017 10.801 1.00 0.00 C ATOM 937 CE3 TRP A 64 -5.091 7.047 8.420 1.00 0.00 C ATOM 938 CZ2 TRP A 64 -4.331 6.299 11.038 1.00 0.00 C ATOM 939 CZ3 TRP A 64 -3.931 6.335 8.658 1.00 0.00 C ATOM 940 CH2 TRP A 64 -3.560 5.966 9.957 1.00 0.00 C ATOM 0 H TRP A 64 -8.946 10.843 9.501 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.409 10.192 8.203 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.990 8.739 8.820 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.867 8.083 7.645 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.298 8.598 11.406 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.431 7.352 12.687 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -5.369 7.325 7.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.043 6.015 12.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.299 6.058 7.827 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.648 5.408 10.109 1.00 0.00 H new ATOM 951 N LYS A 65 -6.981 10.520 5.820 1.00 0.00 N ATOM 952 CA LYS A 65 -7.273 10.824 4.425 1.00 0.00 C ATOM 953 C LYS A 65 -7.324 9.549 3.589 1.00 0.00 C ATOM 954 O LYS A 65 -6.380 8.759 3.587 1.00 0.00 O ATOM 955 CB LYS A 65 -6.217 11.776 3.858 1.00 0.00 C ATOM 956 CG LYS A 65 -6.267 13.169 4.460 1.00 0.00 C ATOM 957 CD LYS A 65 -7.191 14.084 3.674 1.00 0.00 C ATOM 958 CE LYS A 65 -8.630 13.966 4.150 1.00 0.00 C ATOM 959 NZ LYS A 65 -9.435 15.164 3.783 1.00 0.00 N ATOM 0 H LYS A 65 -5.994 10.356 6.018 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.250 11.306 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.228 11.351 4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.350 11.851 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.608 13.108 5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.263 13.594 4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.856 15.116 3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.136 13.835 2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.085 13.076 3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.645 13.836 5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.410 15.045 4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.016 16.010 4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.442 15.274 2.749 1.00 0.00 H new ATOM 973 N ILE A 66 -8.430 9.357 2.880 1.00 0.00 N ATOM 974 CA ILE A 66 -8.602 8.179 2.038 1.00 0.00 C ATOM 975 C ILE A 66 -8.245 8.483 0.587 1.00 0.00 C ATOM 976 O ILE A 66 -8.718 9.464 0.012 1.00 0.00 O ATOM 977 CB ILE A 66 -10.048 7.650 2.097 1.00 0.00 C ATOM 978 CG1 ILE A 66 -10.475 7.436 3.551 1.00 0.00 C ATOM 979 CG2 ILE A 66 -10.172 6.356 1.307 1.00 0.00 C ATOM 980 CD1 ILE A 66 -9.442 6.711 4.385 1.00 0.00 C ATOM 0 H ILE A 66 -9.221 10.001 2.871 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.927 7.415 2.424 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.709 8.391 1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -10.683 8.404 4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.406 6.870 3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -11.199 5.995 1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.903 6.538 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.503 5.606 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.813 6.595 5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.251 5.728 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.517 7.287 4.399 1.00 0.00 H new ATOM 992 N VAL A 67 -7.407 7.634 -0.001 1.00 0.00 N ATOM 993 CA VAL A 67 -6.988 7.810 -1.386 1.00 0.00 C ATOM 994 C VAL A 67 -6.934 6.474 -2.118 1.00 0.00 C ATOM 995 O VAL A 67 -6.079 5.634 -1.836 1.00 0.00 O ATOM 996 CB VAL A 67 -5.605 8.486 -1.472 1.00 0.00 C ATOM 997 CG1 VAL A 67 -5.164 8.615 -2.923 1.00 0.00 C ATOM 998 CG2 VAL A 67 -5.635 9.846 -0.792 1.00 0.00 C ATOM 0 H VAL A 67 -7.005 6.818 0.461 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.729 8.452 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.880 7.861 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.186 9.094 -2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.102 7.625 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.888 9.219 -3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.651 10.309 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.371 10.482 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.904 9.722 0.257 1.00 0.00 H new ATOM 1008 N ARG A 68 -7.852 6.284 -3.059 1.00 0.00 N ATOM 1009 CA ARG A 68 -7.910 5.049 -3.832 1.00 0.00 C ATOM 1010 C ARG A 68 -7.523 5.298 -5.287 1.00 0.00 C ATOM 1011 O ARG A 68 -7.538 6.437 -5.757 1.00 0.00 O ATOM 1012 CB ARG A 68 -9.314 4.446 -3.764 1.00 0.00 C ATOM 1013 CG ARG A 68 -10.363 5.256 -4.507 1.00 0.00 C ATOM 1014 CD ARG A 68 -11.701 4.536 -4.544 1.00 0.00 C ATOM 1015 NE ARG A 68 -11.746 3.518 -5.591 1.00 0.00 N ATOM 1016 CZ ARG A 68 -12.866 2.934 -6.000 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -14.028 3.265 -5.455 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -12.826 2.016 -6.959 1.00 0.00 N ATOM 0 H ARG A 68 -8.566 6.969 -3.305 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.198 4.346 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.287 3.437 -4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.611 4.355 -2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.484 6.226 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.023 5.447 -5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.889 4.070 -3.577 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.498 5.261 -4.709 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.869 3.241 -6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.064 3.970 -4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.887 2.814 -5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.934 1.759 -7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.687 1.568 -7.272 1.00 0.00 H new ATOM 1032 N SER A 69 -7.176 4.228 -5.994 1.00 0.00 N ATOM 1033 CA SER A 69 -6.781 4.332 -7.394 1.00 0.00 C ATOM 1034 C SER A 69 -7.946 3.984 -8.315 1.00 0.00 C ATOM 1035 O SER A 69 -8.994 3.521 -7.862 1.00 0.00 O ATOM 1036 CB SER A 69 -5.597 3.408 -7.680 1.00 0.00 C ATOM 1037 OG SER A 69 -5.103 3.604 -8.994 1.00 0.00 O ATOM 0 H SER A 69 -7.160 3.279 -5.621 1.00 0.00 H new ATOM 0 HA SER A 69 -6.484 5.363 -7.587 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.803 3.596 -6.958 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.903 2.370 -7.554 1.00 0.00 H new ATOM 0 HG SER A 69 -4.124 3.650 -8.972 1.00 0.00 H new ATOM 1043 N HIS A 70 -7.756 4.210 -9.611 1.00 0.00 N ATOM 1044 CA HIS A 70 -8.791 3.920 -10.597 1.00 0.00 C ATOM 1045 C HIS A 70 -9.033 2.417 -10.705 1.00 0.00 C ATOM 1046 O HIS A 70 -10.085 1.918 -10.309 1.00 0.00 O ATOM 1047 CB HIS A 70 -8.396 4.483 -11.963 1.00 0.00 C ATOM 1048 CG HIS A 70 -8.809 5.909 -12.165 1.00 0.00 C ATOM 1049 ND1 HIS A 70 -9.927 6.273 -12.886 1.00 0.00 N ATOM 1050 CD2 HIS A 70 -8.249 7.063 -11.735 1.00 0.00 C ATOM 1051 CE1 HIS A 70 -10.035 7.590 -12.891 1.00 0.00 C ATOM 1052 NE2 HIS A 70 -9.029 8.093 -12.199 1.00 0.00 N ATOM 0 H HIS A 70 -6.896 4.593 -10.003 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.714 4.397 -10.268 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.315 4.406 -12.080 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.845 3.869 -12.744 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.354 7.157 -11.137 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.814 8.158 -13.378 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -8.859 9.085 -12.036 1.00 0.00 H new ATOM 1061 N GLY A 71 -8.052 1.701 -11.245 1.00 0.00 N ATOM 1062 CA GLY A 71 -8.178 0.264 -11.395 1.00 0.00 C ATOM 1063 C GLY A 71 -7.605 -0.496 -10.216 1.00 0.00 C ATOM 1064 O GLY A 71 -7.783 -0.095 -9.065 1.00 0.00 O ATOM 0 H GLY A 71 -7.172 2.091 -11.581 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.230 0.005 -11.513 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.669 -0.049 -12.307 1.00 0.00 H new ATOM 1068 N VAL A 72 -6.918 -1.597 -10.500 1.00 0.00 N ATOM 1069 CA VAL A 72 -6.318 -2.416 -9.453 1.00 0.00 C ATOM 1070 C VAL A 72 -4.846 -2.067 -9.259 1.00 0.00 C ATOM 1071 O VAL A 72 -4.072 -2.869 -8.738 1.00 0.00 O ATOM 1072 CB VAL A 72 -6.441 -3.917 -9.774 1.00 0.00 C ATOM 1073 CG1 VAL A 72 -7.902 -4.317 -9.905 1.00 0.00 C ATOM 1074 CG2 VAL A 72 -5.672 -4.255 -11.043 1.00 0.00 C ATOM 0 H VAL A 72 -6.763 -1.943 -11.447 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.863 -2.204 -8.533 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.006 -4.484 -8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.969 -5.381 -10.132 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.421 -4.112 -8.968 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.365 -3.745 -10.709 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.770 -5.320 -11.255 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.075 -3.680 -11.877 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.619 -4.007 -10.907 1.00 0.00 H new ATOM 1084 N GLN A 73 -4.467 -0.866 -9.684 1.00 0.00 N ATOM 1085 CA GLN A 73 -3.088 -0.412 -9.557 1.00 0.00 C ATOM 1086 C GLN A 73 -2.495 -0.839 -8.218 1.00 0.00 C ATOM 1087 O GLN A 73 -3.223 -1.166 -7.280 1.00 0.00 O ATOM 1088 CB GLN A 73 -3.014 1.109 -9.699 1.00 0.00 C ATOM 1089 CG GLN A 73 -2.855 1.578 -11.137 1.00 0.00 C ATOM 1090 CD GLN A 73 -4.080 1.293 -11.982 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -4.259 0.181 -12.481 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -4.931 2.297 -12.150 1.00 0.00 N ATOM 0 H GLN A 73 -5.095 -0.191 -10.119 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.506 -0.873 -10.355 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.919 1.549 -9.280 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.176 1.480 -9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.653 2.649 -11.146 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.989 1.087 -11.582 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.744 3.202 -11.718 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.773 2.164 -12.711 1.00 0.00 H new ATOM 1101 N THR A 74 -1.168 -0.833 -8.134 1.00 0.00 N ATOM 1102 CA THR A 74 -0.477 -1.220 -6.911 1.00 0.00 C ATOM 1103 C THR A 74 0.430 -0.101 -6.413 1.00 0.00 C ATOM 1104 O THR A 74 1.049 -0.214 -5.357 1.00 0.00 O ATOM 1105 CB THR A 74 0.365 -2.493 -7.120 1.00 0.00 C ATOM 1106 OG1 THR A 74 1.254 -2.316 -8.228 1.00 0.00 O ATOM 1107 CG2 THR A 74 -0.531 -3.698 -7.368 1.00 0.00 C ATOM 0 H THR A 74 -0.550 -0.564 -8.900 1.00 0.00 H new ATOM 0 HA THR A 74 -1.246 -1.420 -6.164 1.00 0.00 H new ATOM 0 HB THR A 74 0.946 -2.672 -6.215 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.787 -3.129 -8.353 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.085 -4.586 -7.513 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.186 -3.847 -6.510 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.134 -3.526 -8.259 1.00 0.00 H new ATOM 1115 N MET A 75 0.503 0.980 -7.183 1.00 0.00 N ATOM 1116 CA MET A 75 1.335 2.122 -6.818 1.00 0.00 C ATOM 1117 C MET A 75 0.565 3.429 -6.979 1.00 0.00 C ATOM 1118 O MET A 75 -0.040 3.680 -8.021 1.00 0.00 O ATOM 1119 CB MET A 75 2.600 2.153 -7.677 1.00 0.00 C ATOM 1120 CG MET A 75 3.472 3.375 -7.432 1.00 0.00 C ATOM 1121 SD MET A 75 3.045 4.759 -8.505 1.00 0.00 S ATOM 1122 CE MET A 75 4.036 4.385 -9.950 1.00 0.00 C ATOM 0 H MET A 75 -0.003 1.090 -8.062 1.00 0.00 H new ATOM 0 HA MET A 75 1.618 2.014 -5.771 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.185 1.254 -7.481 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.316 2.125 -8.729 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.374 3.684 -6.391 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.517 3.108 -7.588 1.00 0.00 H new ATOM 0 HE1 MET A 75 4.391 5.313 -10.398 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.890 3.774 -9.657 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.431 3.840 -10.675 1.00 0.00 H new ATOM 1132 N VAL A 76 0.591 4.258 -5.940 1.00 0.00 N ATOM 1133 CA VAL A 76 -0.104 5.539 -5.967 1.00 0.00 C ATOM 1134 C VAL A 76 0.724 6.628 -5.292 1.00 0.00 C ATOM 1135 O VAL A 76 1.303 6.413 -4.228 1.00 0.00 O ATOM 1136 CB VAL A 76 -1.475 5.449 -5.272 1.00 0.00 C ATOM 1137 CG1 VAL A 76 -2.164 6.804 -5.269 1.00 0.00 C ATOM 1138 CG2 VAL A 76 -2.347 4.401 -5.949 1.00 0.00 C ATOM 0 H VAL A 76 1.086 4.065 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.252 5.796 -7.016 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.318 5.146 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.131 6.719 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.545 7.526 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.310 7.140 -6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.312 4.350 -5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.497 4.672 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.857 3.429 -5.893 1.00 0.00 H new ATOM 1148 N VAL A 77 0.776 7.799 -5.920 1.00 0.00 N ATOM 1149 CA VAL A 77 1.531 8.922 -5.380 1.00 0.00 C ATOM 1150 C VAL A 77 0.634 9.850 -4.570 1.00 0.00 C ATOM 1151 O VAL A 77 -0.424 10.274 -5.038 1.00 0.00 O ATOM 1152 CB VAL A 77 2.211 9.733 -6.501 1.00 0.00 C ATOM 1153 CG1 VAL A 77 1.196 10.617 -7.210 1.00 0.00 C ATOM 1154 CG2 VAL A 77 3.354 10.563 -5.939 1.00 0.00 C ATOM 0 H VAL A 77 0.304 7.994 -6.803 1.00 0.00 H new ATOM 0 HA VAL A 77 2.297 8.503 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 77 2.624 9.037 -7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.693 11.182 -7.998 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.415 9.995 -7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.752 11.308 -6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.823 11.129 -6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.968 11.252 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.092 9.904 -5.482 1.00 0.00 H new ATOM 1164 N LEU A 78 1.060 10.162 -3.351 1.00 0.00 N ATOM 1165 CA LEU A 78 0.295 11.041 -2.474 1.00 0.00 C ATOM 1166 C LEU A 78 0.721 12.495 -2.654 1.00 0.00 C ATOM 1167 O LEU A 78 1.864 12.777 -3.009 1.00 0.00 O ATOM 1168 CB LEU A 78 0.476 10.621 -1.014 1.00 0.00 C ATOM 1169 CG LEU A 78 -0.071 9.243 -0.639 1.00 0.00 C ATOM 1170 CD1 LEU A 78 0.410 8.837 0.745 1.00 0.00 C ATOM 1171 CD2 LEU A 78 -1.592 9.240 -0.699 1.00 0.00 C ATOM 0 H LEU A 78 1.932 9.819 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.758 10.955 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.540 10.643 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.006 11.366 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 78 0.303 8.515 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.011 7.854 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.499 8.800 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.065 9.566 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.965 8.252 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.985 9.979 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.917 9.487 -1.710 1.00 0.00 H new ATOM 1183 N ASN A 79 -0.207 13.413 -2.402 1.00 0.00 N ATOM 1184 CA ASN A 79 0.073 14.838 -2.535 1.00 0.00 C ATOM 1185 C ASN A 79 -0.495 15.615 -1.352 1.00 0.00 C ATOM 1186 O ASN A 79 -1.097 15.038 -0.447 1.00 0.00 O ATOM 1187 CB ASN A 79 -0.514 15.375 -3.842 1.00 0.00 C ATOM 1188 CG ASN A 79 -1.757 14.618 -4.272 1.00 0.00 C ATOM 1189 OD1 ASN A 79 -1.972 14.381 -5.460 1.00 0.00 O ATOM 1190 ND2 ASN A 79 -2.581 14.237 -3.303 1.00 0.00 N ATOM 0 H ASN A 79 -1.158 13.196 -2.105 1.00 0.00 H new ATOM 0 HA ASN A 79 1.155 14.971 -2.549 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.758 16.430 -3.721 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.238 15.310 -4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.434 13.725 -3.530 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.361 14.456 -2.331 1.00 0.00 H new ATOM 1197 N ASN A 80 -0.300 16.930 -1.367 1.00 0.00 N ATOM 1198 CA ASN A 80 -0.793 17.789 -0.296 1.00 0.00 C ATOM 1199 C ASN A 80 -0.173 17.397 1.043 1.00 0.00 C ATOM 1200 O ASN A 80 -0.874 17.261 2.047 1.00 0.00 O ATOM 1201 CB ASN A 80 -2.319 17.706 -0.208 1.00 0.00 C ATOM 1202 CG ASN A 80 -3.003 18.484 -1.315 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -3.462 17.908 -2.303 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -3.076 19.801 -1.156 1.00 0.00 N ATOM 0 H ASN A 80 0.196 17.424 -2.109 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.505 18.815 -0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.627 16.662 -0.257 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.646 18.090 0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.526 20.377 -1.868 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.682 20.237 -0.322 1.00 0.00 H new ATOM 1211 N LEU A 81 1.143 17.217 1.050 1.00 0.00 N ATOM 1212 CA LEU A 81 1.857 16.843 2.265 1.00 0.00 C ATOM 1213 C LEU A 81 2.950 17.856 2.588 1.00 0.00 C ATOM 1214 O LEU A 81 3.585 18.405 1.689 1.00 0.00 O ATOM 1215 CB LEU A 81 2.468 15.448 2.111 1.00 0.00 C ATOM 1216 CG LEU A 81 1.609 14.417 1.378 1.00 0.00 C ATOM 1217 CD1 LEU A 81 2.452 13.224 0.955 1.00 0.00 C ATOM 1218 CD2 LEU A 81 0.449 13.969 2.255 1.00 0.00 C ATOM 0 H LEU A 81 1.737 17.324 0.228 1.00 0.00 H new ATOM 0 HA LEU A 81 1.143 16.832 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.416 15.545 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.696 15.061 3.104 1.00 0.00 H new ATOM 0 HG LEU A 81 1.201 14.884 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.824 12.501 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.248 13.558 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.889 12.757 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.152 13.235 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.837 13.520 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.170 14.830 2.507 1.00 0.00 H new ATOM 1230 N GLU A 82 3.165 18.095 3.878 1.00 0.00 N ATOM 1231 CA GLU A 82 4.183 19.041 4.319 1.00 0.00 C ATOM 1232 C GLU A 82 5.543 18.361 4.439 1.00 0.00 C ATOM 1233 O GLU A 82 5.650 17.192 4.813 1.00 0.00 O ATOM 1234 CB GLU A 82 3.789 19.659 5.663 1.00 0.00 C ATOM 1235 CG GLU A 82 2.470 20.412 5.624 1.00 0.00 C ATOM 1236 CD GLU A 82 2.363 21.458 6.716 1.00 0.00 C ATOM 1237 OE1 GLU A 82 2.987 22.531 6.574 1.00 0.00 O ATOM 1238 OE2 GLU A 82 1.654 21.203 7.713 1.00 0.00 O ATOM 0 H GLU A 82 2.648 17.647 4.635 1.00 0.00 H new ATOM 0 HA GLU A 82 4.256 19.831 3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.725 18.869 6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.577 20.340 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.360 20.894 4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.648 19.703 5.723 1.00 0.00 H new ATOM 1245 N PRO A 83 6.609 19.107 4.115 1.00 0.00 N ATOM 1246 CA PRO A 83 7.982 18.597 4.177 1.00 0.00 C ATOM 1247 C PRO A 83 8.453 18.374 5.610 1.00 0.00 C ATOM 1248 O PRO A 83 7.866 18.901 6.555 1.00 0.00 O ATOM 1249 CB PRO A 83 8.803 19.704 3.510 1.00 0.00 C ATOM 1250 CG PRO A 83 7.995 20.941 3.702 1.00 0.00 C ATOM 1251 CD PRO A 83 6.556 20.507 3.661 1.00 0.00 C ATOM 0 HA PRO A 83 8.078 17.626 3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.787 19.799 3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.963 19.496 2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 83 8.232 21.418 4.653 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.205 21.670 2.919 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.933 21.118 4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.140 20.588 2.657 1.00 0.00 H new ATOM 1259 N ASN A 84 9.515 17.590 5.765 1.00 0.00 N ATOM 1260 CA ASN A 84 10.064 17.298 7.083 1.00 0.00 C ATOM 1261 C ASN A 84 8.970 16.820 8.034 1.00 0.00 C ATOM 1262 O ASN A 84 9.032 17.060 9.240 1.00 0.00 O ATOM 1263 CB ASN A 84 10.750 18.539 7.660 1.00 0.00 C ATOM 1264 CG ASN A 84 11.602 18.217 8.872 1.00 0.00 C ATOM 1265 OD1 ASN A 84 11.413 17.189 9.522 1.00 0.00 O ATOM 1266 ND2 ASN A 84 12.545 19.099 9.183 1.00 0.00 N ATOM 0 H ASN A 84 10.012 17.146 4.993 1.00 0.00 H new ATOM 0 HA ASN A 84 10.800 16.502 6.974 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.374 18.996 6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.994 19.274 7.936 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.148 18.937 9.989 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.666 19.938 8.615 1.00 0.00 H new ATOM 1273 N THR A 85 7.969 16.140 7.483 1.00 0.00 N ATOM 1274 CA THR A 85 6.863 15.628 8.280 1.00 0.00 C ATOM 1275 C THR A 85 6.658 14.136 8.044 1.00 0.00 C ATOM 1276 O THR A 85 6.942 13.623 6.961 1.00 0.00 O ATOM 1277 CB THR A 85 5.551 16.370 7.962 1.00 0.00 C ATOM 1278 OG1 THR A 85 5.707 17.771 8.215 1.00 0.00 O ATOM 1279 CG2 THR A 85 4.403 15.824 8.797 1.00 0.00 C ATOM 0 H THR A 85 7.903 15.931 6.487 1.00 0.00 H new ATOM 0 HA THR A 85 7.124 15.795 9.325 1.00 0.00 H new ATOM 0 HB THR A 85 5.318 16.215 6.909 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.396 18.136 7.622 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.488 16.364 8.554 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.267 14.764 8.580 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.630 15.952 9.855 1.00 0.00 H new ATOM 1287 N THR A 86 6.165 13.442 9.065 1.00 0.00 N ATOM 1288 CA THR A 86 5.923 12.008 8.969 1.00 0.00 C ATOM 1289 C THR A 86 4.435 11.709 8.823 1.00 0.00 C ATOM 1290 O THR A 86 3.596 12.382 9.422 1.00 0.00 O ATOM 1291 CB THR A 86 6.466 11.263 10.202 1.00 0.00 C ATOM 1292 OG1 THR A 86 7.833 11.627 10.433 1.00 0.00 O ATOM 1293 CG2 THR A 86 6.362 9.757 10.014 1.00 0.00 C ATOM 0 H THR A 86 5.925 13.850 9.968 1.00 0.00 H new ATOM 0 HA THR A 86 6.449 11.658 8.081 1.00 0.00 H new ATOM 0 HB THR A 86 5.864 11.548 11.065 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.170 11.150 11.220 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.752 9.252 10.898 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.318 9.480 9.868 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.942 9.458 9.141 1.00 0.00 H new ATOM 1301 N TYR A 87 4.115 10.697 8.025 1.00 0.00 N ATOM 1302 CA TYR A 87 2.728 10.311 7.800 1.00 0.00 C ATOM 1303 C TYR A 87 2.582 8.792 7.780 1.00 0.00 C ATOM 1304 O TYR A 87 3.397 8.088 7.186 1.00 0.00 O ATOM 1305 CB TYR A 87 2.220 10.900 6.483 1.00 0.00 C ATOM 1306 CG TYR A 87 2.513 12.375 6.326 1.00 0.00 C ATOM 1307 CD1 TYR A 87 3.816 12.831 6.165 1.00 0.00 C ATOM 1308 CD2 TYR A 87 1.488 13.314 6.338 1.00 0.00 C ATOM 1309 CE1 TYR A 87 4.090 14.178 6.023 1.00 0.00 C ATOM 1310 CE2 TYR A 87 1.753 14.662 6.195 1.00 0.00 C ATOM 1311 CZ TYR A 87 3.055 15.089 6.038 1.00 0.00 C ATOM 1312 OH TYR A 87 3.322 16.431 5.895 1.00 0.00 O ATOM 0 H TYR A 87 4.798 10.129 7.523 1.00 0.00 H new ATOM 0 HA TYR A 87 2.130 10.705 8.622 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.674 10.358 5.653 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.143 10.743 6.416 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.629 12.120 6.151 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.467 12.984 6.461 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.109 14.515 5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.945 15.378 6.206 1.00 0.00 H new ATOM 0 HH TYR A 87 4.127 16.548 5.348 1.00 0.00 H new ATOM 1322 N GLU A 88 1.535 8.297 8.432 1.00 0.00 N ATOM 1323 CA GLU A 88 1.281 6.862 8.490 1.00 0.00 C ATOM 1324 C GLU A 88 0.289 6.441 7.410 1.00 0.00 C ATOM 1325 O GLU A 88 -0.841 6.927 7.366 1.00 0.00 O ATOM 1326 CB GLU A 88 0.745 6.471 9.870 1.00 0.00 C ATOM 1327 CG GLU A 88 1.444 7.180 11.017 1.00 0.00 C ATOM 1328 CD GLU A 88 0.983 6.688 12.375 1.00 0.00 C ATOM 1329 OE1 GLU A 88 0.739 5.472 12.514 1.00 0.00 O ATOM 1330 OE2 GLU A 88 0.866 7.520 13.300 1.00 0.00 O ATOM 0 H GLU A 88 0.850 8.868 8.927 1.00 0.00 H new ATOM 0 HA GLU A 88 2.224 6.345 8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.321 6.693 9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.852 5.394 10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.520 7.033 10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.261 8.252 10.942 1.00 0.00 H new ATOM 1337 N ILE A 89 0.722 5.535 6.540 1.00 0.00 N ATOM 1338 CA ILE A 89 -0.127 5.048 5.459 1.00 0.00 C ATOM 1339 C ILE A 89 -0.394 3.553 5.600 1.00 0.00 C ATOM 1340 O ILE A 89 0.478 2.794 6.026 1.00 0.00 O ATOM 1341 CB ILE A 89 0.505 5.317 4.081 1.00 0.00 C ATOM 1342 CG1 ILE A 89 -0.027 4.322 3.048 1.00 0.00 C ATOM 1343 CG2 ILE A 89 2.022 5.238 4.169 1.00 0.00 C ATOM 1344 CD1 ILE A 89 0.308 4.695 1.621 1.00 0.00 C ATOM 0 H ILE A 89 1.655 5.123 6.562 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.069 5.591 5.530 1.00 0.00 H new ATOM 0 HB ILE A 89 0.231 6.323 3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.382 3.335 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.110 4.248 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.454 5.430 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.385 5.983 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.316 4.244 4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.100 3.945 0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.124 5.668 1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.390 4.741 1.501 1.00 0.00 H new ATOM 1356 N ARG A 90 -1.602 3.136 5.238 1.00 0.00 N ATOM 1357 CA ARG A 90 -1.983 1.731 5.323 1.00 0.00 C ATOM 1358 C ARG A 90 -2.686 1.279 4.046 1.00 0.00 C ATOM 1359 O ARG A 90 -3.696 1.856 3.645 1.00 0.00 O ATOM 1360 CB ARG A 90 -2.895 1.501 6.529 1.00 0.00 C ATOM 1361 CG ARG A 90 -3.776 2.693 6.864 1.00 0.00 C ATOM 1362 CD ARG A 90 -4.500 2.498 8.186 1.00 0.00 C ATOM 1363 NE ARG A 90 -5.799 1.851 8.008 1.00 0.00 N ATOM 1364 CZ ARG A 90 -6.517 1.357 9.010 1.00 0.00 C ATOM 1365 NH1 ARG A 90 -6.068 1.437 10.255 1.00 0.00 N ATOM 1366 NH2 ARG A 90 -7.689 0.783 8.767 1.00 0.00 N ATOM 0 H ARG A 90 -2.334 3.751 4.883 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.075 1.141 5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.528 0.635 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.281 1.259 7.397 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.166 3.595 6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.505 2.843 6.068 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.883 1.895 8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.640 3.465 8.669 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.174 1.775 7.063 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.169 1.879 10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.622 1.057 11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.038 0.721 7.811 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.240 0.404 9.537 1.00 0.00 H new ATOM 1380 N VAL A 91 -2.143 0.245 3.413 1.00 0.00 N ATOM 1381 CA VAL A 91 -2.718 -0.285 2.182 1.00 0.00 C ATOM 1382 C VAL A 91 -3.554 -1.529 2.457 1.00 0.00 C ATOM 1383 O VAL A 91 -3.140 -2.415 3.203 1.00 0.00 O ATOM 1384 CB VAL A 91 -1.623 -0.632 1.154 1.00 0.00 C ATOM 1385 CG1 VAL A 91 -2.245 -1.026 -0.176 1.00 0.00 C ATOM 1386 CG2 VAL A 91 -0.668 0.539 0.980 1.00 0.00 C ATOM 0 H VAL A 91 -1.306 -0.243 3.732 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.358 0.495 1.770 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.054 -1.484 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.457 -1.267 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.885 -1.897 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.840 -0.197 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.099 0.278 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.221 1.410 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.197 0.769 1.936 1.00 0.00 H new ATOM 1396 N ALA A 92 -4.734 -1.590 1.847 1.00 0.00 N ATOM 1397 CA ALA A 92 -5.627 -2.727 2.024 1.00 0.00 C ATOM 1398 C ALA A 92 -6.240 -3.155 0.696 1.00 0.00 C ATOM 1399 O ALA A 92 -6.211 -2.409 -0.282 1.00 0.00 O ATOM 1400 CB ALA A 92 -6.721 -2.388 3.027 1.00 0.00 C ATOM 0 H ALA A 92 -5.093 -0.865 1.226 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.041 -3.561 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.381 -3.247 3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.270 -2.137 3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.297 -1.537 2.664 1.00 0.00 H new ATOM 1406 N ALA A 93 -6.796 -4.362 0.667 1.00 0.00 N ATOM 1407 CA ALA A 93 -7.417 -4.889 -0.542 1.00 0.00 C ATOM 1408 C ALA A 93 -8.936 -4.902 -0.418 1.00 0.00 C ATOM 1409 O ALA A 93 -9.481 -5.255 0.628 1.00 0.00 O ATOM 1410 CB ALA A 93 -6.898 -6.290 -0.835 1.00 0.00 C ATOM 0 H ALA A 93 -6.829 -4.993 1.467 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.152 -4.234 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.370 -6.671 -1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.818 -6.256 -0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.134 -6.948 0.002 1.00 0.00 H new ATOM 1416 N VAL A 94 -9.617 -4.512 -1.491 1.00 0.00 N ATOM 1417 CA VAL A 94 -11.074 -4.479 -1.502 1.00 0.00 C ATOM 1418 C VAL A 94 -11.634 -5.286 -2.668 1.00 0.00 C ATOM 1419 O VAL A 94 -11.199 -5.131 -3.809 1.00 0.00 O ATOM 1420 CB VAL A 94 -11.602 -3.035 -1.592 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -13.106 -3.029 -1.820 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -11.242 -2.258 -0.335 1.00 0.00 C ATOM 0 H VAL A 94 -9.182 -4.214 -2.364 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.407 -4.923 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.128 -2.546 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.461 -2.000 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.335 -3.547 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.602 -3.535 -0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.623 -1.240 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.687 -2.744 0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.158 -2.232 -0.221 1.00 0.00 H new ATOM 1432 N ASN A 95 -12.602 -6.148 -2.375 1.00 0.00 N ATOM 1433 CA ASN A 95 -13.222 -6.980 -3.399 1.00 0.00 C ATOM 1434 C ASN A 95 -14.717 -7.136 -3.142 1.00 0.00 C ATOM 1435 O ASN A 95 -15.266 -6.529 -2.224 1.00 0.00 O ATOM 1436 CB ASN A 95 -12.554 -8.357 -3.440 1.00 0.00 C ATOM 1437 CG ASN A 95 -13.067 -9.281 -2.352 1.00 0.00 C ATOM 1438 OD1 ASN A 95 -13.848 -8.872 -1.492 1.00 0.00 O ATOM 1439 ND2 ASN A 95 -12.628 -10.533 -2.384 1.00 0.00 N ATOM 0 H ASN A 95 -12.974 -6.289 -1.436 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.086 -6.488 -4.362 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.730 -8.814 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.476 -8.238 -3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.937 -11.200 -1.677 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.981 -10.828 -3.115 1.00 0.00 H new ATOM 1446 N GLY A 96 -15.371 -7.954 -3.962 1.00 0.00 N ATOM 1447 CA GLY A 96 -16.797 -8.174 -3.807 1.00 0.00 C ATOM 1448 C GLY A 96 -17.226 -8.196 -2.353 1.00 0.00 C ATOM 1449 O GLY A 96 -18.130 -7.462 -1.954 1.00 0.00 O ATOM 0 H GLY A 96 -14.939 -8.468 -4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.342 -7.389 -4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.069 -9.119 -4.277 1.00 0.00 H new ATOM 1453 N LYS A 97 -16.578 -9.042 -1.560 1.00 0.00 N ATOM 1454 CA LYS A 97 -16.897 -9.157 -0.142 1.00 0.00 C ATOM 1455 C LYS A 97 -16.906 -7.787 0.528 1.00 0.00 C ATOM 1456 O LYS A 97 -17.919 -7.362 1.082 1.00 0.00 O ATOM 1457 CB LYS A 97 -15.886 -10.071 0.556 1.00 0.00 C ATOM 1458 CG LYS A 97 -15.762 -11.441 -0.085 1.00 0.00 C ATOM 1459 CD LYS A 97 -16.813 -12.403 0.444 1.00 0.00 C ATOM 1460 CE LYS A 97 -18.064 -12.391 -0.419 1.00 0.00 C ATOM 1461 NZ LYS A 97 -19.279 -12.760 0.359 1.00 0.00 N ATOM 0 H LYS A 97 -15.829 -9.658 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 97 -17.893 -9.591 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.909 -9.588 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.178 -10.192 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.864 -11.348 -1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.768 -11.845 0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.401 -13.412 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -17.073 -12.133 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.197 -11.399 -0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.939 -13.087 -1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.110 -12.740 -0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.163 -13.716 0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.413 -12.082 1.136 1.00 0.00 H new ATOM 1475 N GLY A 98 -15.770 -7.097 0.471 1.00 0.00 N ATOM 1476 CA GLY A 98 -15.670 -5.781 1.074 1.00 0.00 C ATOM 1477 C GLY A 98 -14.233 -5.328 1.244 1.00 0.00 C ATOM 1478 O GLY A 98 -13.426 -5.450 0.323 1.00 0.00 O ATOM 0 H GLY A 98 -14.918 -7.426 0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.204 -5.060 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.162 -5.792 2.047 1.00 0.00 H new ATOM 1482 N GLN A 99 -13.915 -4.805 2.423 1.00 0.00 N ATOM 1483 CA GLN A 99 -12.566 -4.332 2.708 1.00 0.00 C ATOM 1484 C GLN A 99 -11.821 -5.316 3.604 1.00 0.00 C ATOM 1485 O GLN A 99 -12.058 -5.377 4.810 1.00 0.00 O ATOM 1486 CB GLN A 99 -12.616 -2.956 3.375 1.00 0.00 C ATOM 1487 CG GLN A 99 -11.260 -2.277 3.475 1.00 0.00 C ATOM 1488 CD GLN A 99 -11.360 -0.764 3.446 1.00 0.00 C ATOM 1489 OE1 GLN A 99 -12.387 -0.192 3.811 1.00 0.00 O ATOM 1490 NE2 GLN A 99 -10.290 -0.108 3.013 1.00 0.00 N ATOM 0 H GLN A 99 -14.572 -4.698 3.196 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.030 -4.252 1.763 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.294 -2.314 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -13.034 -3.062 4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.770 -2.587 4.398 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.629 -2.611 2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.460 -0.623 2.720 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.298 0.911 2.973 1.00 0.00 H new ATOM 1499 N GLY A 100 -10.917 -6.086 3.005 1.00 0.00 N ATOM 1500 CA GLY A 100 -10.151 -7.058 3.763 1.00 0.00 C ATOM 1501 C GLY A 100 -9.354 -6.421 4.885 1.00 0.00 C ATOM 1502 O GLY A 100 -9.723 -5.364 5.394 1.00 0.00 O ATOM 0 H GLY A 100 -10.702 -6.054 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.828 -7.804 4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.472 -7.584 3.092 1.00 0.00 H new ATOM 1506 N ASP A 101 -8.259 -7.067 5.270 1.00 0.00 N ATOM 1507 CA ASP A 101 -7.408 -6.558 6.338 1.00 0.00 C ATOM 1508 C ASP A 101 -6.415 -5.533 5.800 1.00 0.00 C ATOM 1509 O ASP A 101 -6.141 -5.490 4.600 1.00 0.00 O ATOM 1510 CB ASP A 101 -6.658 -7.707 7.014 1.00 0.00 C ATOM 1511 CG ASP A 101 -7.497 -8.409 8.063 1.00 0.00 C ATOM 1512 OD1 ASP A 101 -8.165 -7.710 8.852 1.00 0.00 O ATOM 1513 OD2 ASP A 101 -7.486 -9.658 8.094 1.00 0.00 O ATOM 0 H ASP A 101 -7.940 -7.944 4.858 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.045 -6.068 7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.348 -8.429 6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.750 -7.321 7.478 1.00 0.00 H new ATOM 1518 N TYR A 102 -5.878 -4.710 6.694 1.00 0.00 N ATOM 1519 CA TYR A 102 -4.918 -3.683 6.308 1.00 0.00 C ATOM 1520 C TYR A 102 -3.488 -4.152 6.558 1.00 0.00 C ATOM 1521 O TYR A 102 -3.227 -4.916 7.487 1.00 0.00 O ATOM 1522 CB TYR A 102 -5.184 -2.390 7.081 1.00 0.00 C ATOM 1523 CG TYR A 102 -6.442 -1.673 6.648 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -7.697 -2.218 6.895 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -6.378 -0.451 5.989 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -8.849 -1.567 6.500 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -7.525 0.208 5.592 1.00 0.00 C ATOM 1528 CZ TYR A 102 -8.758 -0.354 5.849 1.00 0.00 C ATOM 1529 OH TYR A 102 -9.903 0.299 5.454 1.00 0.00 O ATOM 0 H TYR A 102 -6.091 -4.734 7.691 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.038 -3.493 5.241 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.255 -2.620 8.144 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.333 -1.720 6.956 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.772 -3.167 7.405 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.414 -0.009 5.784 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.816 -2.005 6.700 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.457 1.158 5.083 1.00 0.00 H new ATOM 0 HH TYR A 102 -9.663 1.090 4.927 1.00 0.00 H new ATOM 1539 N SER A 103 -2.565 -3.690 5.719 1.00 0.00 N ATOM 1540 CA SER A 103 -1.162 -4.064 5.846 1.00 0.00 C ATOM 1541 C SER A 103 -0.511 -3.344 7.023 1.00 0.00 C ATOM 1542 O SER A 103 -0.988 -2.299 7.467 1.00 0.00 O ATOM 1543 CB SER A 103 -0.408 -3.740 4.555 1.00 0.00 C ATOM 1544 OG SER A 103 -0.460 -2.354 4.268 1.00 0.00 O ATOM 0 H SER A 103 -2.764 -3.057 4.945 1.00 0.00 H new ATOM 0 HA SER A 103 -1.113 -5.138 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.631 -4.057 4.648 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.840 -4.302 3.727 1.00 0.00 H new ATOM 0 HG SER A 103 -1.304 -2.145 3.816 1.00 0.00 H new ATOM 1550 N LYS A 104 0.582 -3.909 7.523 1.00 0.00 N ATOM 1551 CA LYS A 104 1.301 -3.323 8.648 1.00 0.00 C ATOM 1552 C LYS A 104 1.478 -1.820 8.456 1.00 0.00 C ATOM 1553 O LYS A 104 2.196 -1.380 7.557 1.00 0.00 O ATOM 1554 CB LYS A 104 2.668 -3.992 8.810 1.00 0.00 C ATOM 1555 CG LYS A 104 3.238 -3.878 10.214 1.00 0.00 C ATOM 1556 CD LYS A 104 2.682 -4.956 11.130 1.00 0.00 C ATOM 1557 CE LYS A 104 3.424 -4.995 12.457 1.00 0.00 C ATOM 1558 NZ LYS A 104 3.407 -6.356 13.062 1.00 0.00 N ATOM 0 H LYS A 104 0.990 -4.773 7.167 1.00 0.00 H new ATOM 0 HA LYS A 104 0.713 -3.490 9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.581 -5.046 8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.368 -3.544 8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.324 -3.958 10.174 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.005 -2.895 10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.623 -4.772 11.309 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.759 -5.927 10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.456 -4.678 12.306 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.970 -4.285 13.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.923 -6.341 13.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.423 -6.649 13.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.863 -7.030 12.414 1.00 0.00 H new ATOM 1572 N ILE A 105 0.821 -1.039 9.307 1.00 0.00 N ATOM 1573 CA ILE A 105 0.909 0.415 9.231 1.00 0.00 C ATOM 1574 C ILE A 105 2.298 0.860 8.785 1.00 0.00 C ATOM 1575 O ILE A 105 3.300 0.517 9.411 1.00 0.00 O ATOM 1576 CB ILE A 105 0.584 1.070 10.587 1.00 0.00 C ATOM 1577 CG1 ILE A 105 -0.876 0.810 10.966 1.00 0.00 C ATOM 1578 CG2 ILE A 105 0.865 2.564 10.535 1.00 0.00 C ATOM 1579 CD1 ILE A 105 -1.868 1.513 10.066 1.00 0.00 C ATOM 0 H ILE A 105 0.223 -1.388 10.056 1.00 0.00 H new ATOM 0 HA ILE A 105 0.173 0.737 8.494 1.00 0.00 H new ATOM 0 HB ILE A 105 1.223 0.627 11.351 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.066 -0.263 10.934 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.039 1.132 11.994 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.630 3.012 11.500 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.918 2.728 10.305 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.249 3.023 9.762 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.882 1.284 10.393 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.705 2.590 10.116 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.732 1.173 9.039 1.00 0.00 H new ATOM 1591 N GLU A 106 2.348 1.626 7.700 1.00 0.00 N ATOM 1592 CA GLU A 106 3.614 2.119 7.171 1.00 0.00 C ATOM 1593 C GLU A 106 3.857 3.564 7.597 1.00 0.00 C ATOM 1594 O GLU A 106 2.915 4.342 7.753 1.00 0.00 O ATOM 1595 CB GLU A 106 3.630 2.016 5.645 1.00 0.00 C ATOM 1596 CG GLU A 106 3.829 0.600 5.133 1.00 0.00 C ATOM 1597 CD GLU A 106 5.093 -0.043 5.669 1.00 0.00 C ATOM 1598 OE1 GLU A 106 6.180 0.544 5.483 1.00 0.00 O ATOM 1599 OE2 GLU A 106 4.997 -1.130 6.275 1.00 0.00 O ATOM 0 H GLU A 106 1.527 1.919 7.170 1.00 0.00 H new ATOM 0 HA GLU A 106 4.413 1.500 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.691 2.406 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.426 2.650 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.969 -0.008 5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.867 0.614 4.044 1.00 0.00 H new ATOM 1606 N ILE A 107 5.124 3.915 7.783 1.00 0.00 N ATOM 1607 CA ILE A 107 5.490 5.266 8.190 1.00 0.00 C ATOM 1608 C ILE A 107 6.558 5.847 7.270 1.00 0.00 C ATOM 1609 O ILE A 107 7.689 5.362 7.230 1.00 0.00 O ATOM 1610 CB ILE A 107 6.008 5.296 9.640 1.00 0.00 C ATOM 1611 CG1 ILE A 107 4.977 4.673 10.585 1.00 0.00 C ATOM 1612 CG2 ILE A 107 6.324 6.724 10.060 1.00 0.00 C ATOM 1613 CD1 ILE A 107 5.527 4.367 11.961 1.00 0.00 C ATOM 0 H ILE A 107 5.915 3.283 7.658 1.00 0.00 H new ATOM 0 HA ILE A 107 4.586 5.871 8.122 1.00 0.00 H new ATOM 0 HB ILE A 107 6.926 4.710 9.695 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.130 5.351 10.684 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.598 3.752 10.141 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.689 6.729 11.087 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.088 7.136 9.401 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.421 7.331 9.993 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.742 3.928 12.577 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.356 3.664 11.874 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.880 5.288 12.425 1.00 0.00 H new ATOM 1625 N PHE A 108 6.192 6.890 6.532 1.00 0.00 N ATOM 1626 CA PHE A 108 7.118 7.539 5.612 1.00 0.00 C ATOM 1627 C PHE A 108 7.261 9.022 5.940 1.00 0.00 C ATOM 1628 O PHE A 108 6.272 9.714 6.176 1.00 0.00 O ATOM 1629 CB PHE A 108 6.640 7.368 4.168 1.00 0.00 C ATOM 1630 CG PHE A 108 5.370 8.109 3.865 1.00 0.00 C ATOM 1631 CD1 PHE A 108 5.361 9.491 3.785 1.00 0.00 C ATOM 1632 CD2 PHE A 108 4.183 7.422 3.663 1.00 0.00 C ATOM 1633 CE1 PHE A 108 4.193 10.177 3.506 1.00 0.00 C ATOM 1634 CE2 PHE A 108 3.012 8.102 3.384 1.00 0.00 C ATOM 1635 CZ PHE A 108 3.017 9.480 3.306 1.00 0.00 C ATOM 0 H PHE A 108 5.260 7.304 6.553 1.00 0.00 H new ATOM 0 HA PHE A 108 8.093 7.065 5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.422 7.712 3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.489 6.307 3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.277 10.040 3.942 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.173 6.344 3.724 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.200 11.255 3.445 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.094 7.555 3.227 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.103 10.013 3.089 1.00 0.00 H new ATOM 1645 N GLN A 109 8.501 9.502 5.952 1.00 0.00 N ATOM 1646 CA GLN A 109 8.773 10.903 6.252 1.00 0.00 C ATOM 1647 C GLN A 109 9.258 11.642 5.009 1.00 0.00 C ATOM 1648 O GLN A 109 10.250 11.256 4.391 1.00 0.00 O ATOM 1649 CB GLN A 109 9.817 11.015 7.364 1.00 0.00 C ATOM 1650 CG GLN A 109 10.155 12.448 7.741 1.00 0.00 C ATOM 1651 CD GLN A 109 11.394 12.547 8.608 1.00 0.00 C ATOM 1652 OE1 GLN A 109 11.656 11.676 9.439 1.00 0.00 O ATOM 1653 NE2 GLN A 109 12.164 13.613 8.421 1.00 0.00 N ATOM 0 H GLN A 109 9.331 8.942 5.758 1.00 0.00 H new ATOM 0 HA GLN A 109 7.843 11.363 6.587 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.451 10.493 8.248 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.728 10.507 7.048 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.304 13.033 6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.310 12.889 8.270 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.909 14.310 7.721 1.00 0.00 H new ATOM 0 HE22 GLN A 109 13.010 13.735 8.977 1.00 0.00 H new ATOM 1662 N THR A 110 8.551 12.708 4.646 1.00 0.00 N ATOM 1663 CA THR A 110 8.907 13.500 3.476 1.00 0.00 C ATOM 1664 C THR A 110 10.285 14.130 3.638 1.00 0.00 C ATOM 1665 O THR A 110 10.782 14.282 4.755 1.00 0.00 O ATOM 1666 CB THR A 110 7.874 14.611 3.213 1.00 0.00 C ATOM 1667 OG1 THR A 110 7.809 15.495 4.338 1.00 0.00 O ATOM 1668 CG2 THR A 110 6.498 14.020 2.948 1.00 0.00 C ATOM 0 H THR A 110 7.728 13.043 5.147 1.00 0.00 H new ATOM 0 HA THR A 110 8.920 12.819 2.625 1.00 0.00 H new ATOM 0 HB THR A 110 8.189 15.167 2.330 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.955 15.975 4.328 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.786 14.824 2.765 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.543 13.370 2.074 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.177 13.442 3.814 1.00 0.00 H new ATOM 1676 N LEU A 111 10.899 14.497 2.518 1.00 0.00 N ATOM 1677 CA LEU A 111 12.220 15.113 2.536 1.00 0.00 C ATOM 1678 C LEU A 111 12.126 16.595 2.883 1.00 0.00 C ATOM 1679 O LEU A 111 11.201 17.297 2.474 1.00 0.00 O ATOM 1680 CB LEU A 111 12.905 14.938 1.179 1.00 0.00 C ATOM 1681 CG LEU A 111 13.156 13.496 0.735 1.00 0.00 C ATOM 1682 CD1 LEU A 111 13.482 13.444 -0.750 1.00 0.00 C ATOM 1683 CD2 LEU A 111 14.278 12.873 1.552 1.00 0.00 C ATOM 0 H LEU A 111 10.502 14.378 1.586 1.00 0.00 H new ATOM 0 HA LEU A 111 12.814 14.616 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.296 15.430 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.861 15.460 1.207 1.00 0.00 H new ATOM 0 HG LEU A 111 12.247 12.920 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.658 12.410 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.646 13.849 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.376 14.035 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 111 14.442 11.847 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 111 15.193 13.450 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 111 14.004 12.875 2.607 1.00 0.00 H new ATOM 1695 N PRO A 112 13.107 17.087 3.656 1.00 0.00 N ATOM 1696 CA PRO A 112 13.158 18.491 4.072 1.00 0.00 C ATOM 1697 C PRO A 112 13.469 19.429 2.911 1.00 0.00 C ATOM 1698 O PRO A 112 14.523 19.329 2.283 1.00 0.00 O ATOM 1699 CB PRO A 112 14.295 18.515 5.098 1.00 0.00 C ATOM 1700 CG PRO A 112 15.164 17.363 4.728 1.00 0.00 C ATOM 1701 CD PRO A 112 14.242 16.309 4.180 1.00 0.00 C ATOM 0 HA PRO A 112 12.202 18.834 4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 112 14.845 19.455 5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.914 18.413 6.114 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.906 17.657 3.986 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.710 16.992 5.595 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.723 15.722 3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.926 15.609 4.954 1.00 0.00 H new ATOM 1709 N VAL A 113 12.544 20.342 2.631 1.00 0.00 N ATOM 1710 CA VAL A 113 12.721 21.300 1.545 1.00 0.00 C ATOM 1711 C VAL A 113 14.186 21.693 1.390 1.00 0.00 C ATOM 1712 O VAL A 113 14.864 21.999 2.371 1.00 0.00 O ATOM 1713 CB VAL A 113 11.882 22.571 1.776 1.00 0.00 C ATOM 1714 CG1 VAL A 113 12.125 23.581 0.667 1.00 0.00 C ATOM 1715 CG2 VAL A 113 10.404 22.223 1.877 1.00 0.00 C ATOM 0 H VAL A 113 11.666 20.439 3.140 1.00 0.00 H new ATOM 0 HA VAL A 113 12.382 20.809 0.633 1.00 0.00 H new ATOM 0 HB VAL A 113 12.191 23.022 2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 113 11.524 24.472 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 113 13.180 23.853 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.846 23.143 -0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.826 23.133 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 113 10.078 21.747 0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.247 21.539 2.711 1.00 0.00 H new