USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 612 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 89 GLN : amide:sc= 0.394 K(o=0.8,f=-0.11) USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0.0183 USER MOD Set 1.3: A 96 THR OG1 : rot 94:sc= 0.392 USER MOD Set 2.1: A 61 THR OG1 : rot 166:sc= -5.95! USER MOD Set 2.2: A 68 SER OG : rot 180:sc= -1.46! USER MOD Set 3.1: A 41 ASN : amide:sc= -0.276 K(o=-1.4,f=-3.4) USER MOD Set 3.2: A 43 THR OG1 : rot 152:sc= -1.09! USER MOD Set 4.1: A 35 TYR OH : rot -38:sc= -7.89! USER MOD Set 4.2: A 39 THR OG1 : rot 55:sc= 1.67 USER MOD Set 4.3: A 60 THR OG1 : rot 61:sc= 1.13 USER MOD Set 4.4: A 69 THR OG1 : rot 65:sc= 1 USER MOD Single : A 8 THR OG1 : rot 25:sc= 0.826 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -27:sc= 0.454 USER MOD Single : A 27 GLN : amide:sc= -0.251 K(o=-0.25,f=-2.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -106:sc= -3.41! USER MOD Single : A 56 SER OG : rot 149:sc= -3.97! USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 62 GLN : amide:sc= -0.044 K(o=-0.044,f=-0.71) USER MOD Single : A 70 GLN : amide:sc= -0.0214 X(o=-0.021,f=-0.43) USER MOD Single : A 71 SER OG : rot 73:sc= 0.145 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.000459 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -5.15! C(o=-5.1!,f=-9.8!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 86 TYR OH : rot 89:sc= -1.27! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.913! USER MOD Single : A 92 TYR OH : rot 170:sc= -0.978 USER MOD Single : A 93 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.0885 X(o=-0.089,f=-0.089) USER MOD Single : A 100 SER OG : rot 140:sc= -1.8! USER MOD Single : A 101 THR OG1 : rot -130:sc= -0.183 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 8 1.867 8.792 -4.602 1.00 0.00 N ATOM 113 CA THR A 8 1.616 7.716 -5.543 1.00 0.00 C ATOM 114 C THR A 8 2.103 6.382 -4.971 1.00 0.00 C ATOM 115 O THR A 8 3.242 6.276 -4.516 1.00 0.00 O ATOM 116 CB THR A 8 2.279 8.084 -6.872 1.00 0.00 C ATOM 117 OG1 THR A 8 2.925 9.326 -6.603 1.00 0.00 O ATOM 118 CG2 THR A 8 1.259 8.424 -7.961 1.00 0.00 C ATOM 0 HA THR A 8 0.548 7.588 -5.720 1.00 0.00 H new ATOM 0 HB THR A 8 2.906 7.257 -7.207 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.123 9.391 -5.645 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.782 8.678 -8.883 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.613 7.564 -8.135 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.655 9.273 -7.641 1.00 0.00 H new ATOM 126 N VAL A 9 1.218 5.399 -5.011 1.00 0.00 N ATOM 127 CA VAL A 9 1.543 4.077 -4.503 1.00 0.00 C ATOM 128 C VAL A 9 1.140 3.024 -5.537 1.00 0.00 C ATOM 129 O VAL A 9 0.127 3.174 -6.220 1.00 0.00 O ATOM 130 CB VAL A 9 0.879 3.863 -3.141 1.00 0.00 C ATOM 131 CG1 VAL A 9 -0.580 3.429 -3.304 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.661 2.848 -2.303 1.00 0.00 C ATOM 0 H VAL A 9 0.275 5.491 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 9 2.617 3.982 -4.345 1.00 0.00 H new ATOM 0 HB VAL A 9 0.889 4.815 -2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.028 3.284 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.131 4.199 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.621 2.494 -3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.168 2.714 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.697 1.893 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.676 3.213 -2.143 1.00 0.00 H new ATOM 142 N LYS A 10 1.954 1.980 -5.620 1.00 0.00 N ATOM 143 CA LYS A 10 1.693 0.903 -6.560 1.00 0.00 C ATOM 144 C LYS A 10 1.888 -0.441 -5.855 1.00 0.00 C ATOM 145 O LYS A 10 2.607 -0.525 -4.860 1.00 0.00 O ATOM 146 CB LYS A 10 2.554 1.068 -7.815 1.00 0.00 C ATOM 147 CG LYS A 10 1.695 1.457 -9.020 1.00 0.00 C ATOM 148 CD LYS A 10 2.364 2.567 -9.834 1.00 0.00 C ATOM 149 CE LYS A 10 1.369 3.219 -10.794 1.00 0.00 C ATOM 150 NZ LYS A 10 2.058 4.187 -11.676 1.00 0.00 N ATOM 0 H LYS A 10 2.793 1.858 -5.053 1.00 0.00 H new ATOM 0 HA LYS A 10 0.659 0.938 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.313 1.832 -7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.081 0.137 -8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.533 0.584 -9.653 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.715 1.791 -8.680 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.772 3.321 -9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.202 2.155 -10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.881 2.453 -11.396 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.587 3.726 -10.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.368 4.621 -12.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.504 4.927 -11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.788 3.694 -12.230 1.00 0.00 H new ATOM 164 N ILE A 11 1.233 -1.457 -6.395 1.00 0.00 N ATOM 165 CA ILE A 11 1.324 -2.793 -5.828 1.00 0.00 C ATOM 166 C ILE A 11 1.693 -3.785 -6.932 1.00 0.00 C ATOM 167 O ILE A 11 0.910 -4.015 -7.852 1.00 0.00 O ATOM 168 CB ILE A 11 0.033 -3.149 -5.087 1.00 0.00 C ATOM 169 CG1 ILE A 11 0.269 -4.290 -4.095 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.093 -3.468 -6.071 1.00 0.00 C ATOM 171 CD1 ILE A 11 1.606 -4.984 -4.365 1.00 0.00 C ATOM 0 H ILE A 11 0.637 -1.383 -7.219 1.00 0.00 H new ATOM 0 HA ILE A 11 2.116 -2.838 -5.080 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.282 -2.280 -4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.257 -3.900 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.542 -5.014 -4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.999 -3.718 -5.519 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.281 -2.600 -6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.803 -4.314 -6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.749 -5.791 -3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.606 -5.394 -5.375 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.417 -4.262 -4.266 1.00 0.00 H new ATOM 183 N LEU A 12 2.886 -4.347 -6.805 1.00 0.00 N ATOM 184 CA LEU A 12 3.369 -5.310 -7.780 1.00 0.00 C ATOM 185 C LEU A 12 3.591 -6.658 -7.092 1.00 0.00 C ATOM 186 O LEU A 12 4.171 -6.720 -6.010 1.00 0.00 O ATOM 187 CB LEU A 12 4.610 -4.772 -8.495 1.00 0.00 C ATOM 188 CG LEU A 12 4.389 -3.559 -9.403 1.00 0.00 C ATOM 189 CD1 LEU A 12 5.723 -2.986 -9.885 1.00 0.00 C ATOM 190 CD2 LEU A 12 3.459 -3.907 -10.566 1.00 0.00 C ATOM 0 H LEU A 12 3.533 -4.154 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 12 2.624 -5.469 -8.560 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.352 -4.507 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.037 -5.576 -9.094 1.00 0.00 H new ATOM 0 HG LEU A 12 3.896 -2.780 -8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.538 -2.126 -10.528 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.317 -2.676 -9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.265 -3.748 -10.445 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.319 -3.028 -11.195 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.900 -4.710 -11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.494 -4.232 -10.176 1.00 0.00 H new ATOM 202 N GLN A 13 3.118 -7.706 -7.749 1.00 0.00 N ATOM 203 CA GLN A 13 3.258 -9.051 -7.215 1.00 0.00 C ATOM 204 C GLN A 13 4.339 -9.816 -7.979 1.00 0.00 C ATOM 205 O GLN A 13 4.485 -9.650 -9.189 1.00 0.00 O ATOM 206 CB GLN A 13 1.923 -9.800 -7.256 1.00 0.00 C ATOM 207 CG GLN A 13 0.786 -8.867 -7.680 1.00 0.00 C ATOM 208 CD GLN A 13 -0.576 -9.471 -7.329 1.00 0.00 C ATOM 209 OE1 GLN A 13 -0.933 -10.557 -7.759 1.00 0.00 O ATOM 210 NE2 GLN A 13 -1.314 -8.710 -6.527 1.00 0.00 N ATOM 0 H GLN A 13 2.637 -7.652 -8.647 1.00 0.00 H new ATOM 0 HA GLN A 13 3.563 -8.976 -6.171 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.992 -10.636 -7.952 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.707 -10.220 -6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.899 -7.902 -7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.841 -8.684 -8.753 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.955 -7.812 -6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.239 -9.024 -6.235 1.00 0.00 H new ATOM 219 N SER A 14 5.071 -10.638 -7.243 1.00 0.00 N ATOM 220 CA SER A 14 6.135 -11.430 -7.835 1.00 0.00 C ATOM 221 C SER A 14 6.023 -12.885 -7.376 1.00 0.00 C ATOM 222 O SER A 14 6.794 -13.333 -6.527 1.00 0.00 O ATOM 223 CB SER A 14 7.510 -10.863 -7.474 1.00 0.00 C ATOM 224 OG SER A 14 8.296 -10.592 -8.632 1.00 0.00 O ATOM 0 H SER A 14 4.948 -10.773 -6.239 1.00 0.00 H new ATOM 0 HA SER A 14 6.029 -11.389 -8.919 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.384 -9.946 -6.898 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.038 -11.571 -6.835 1.00 0.00 H new ATOM 0 HG SER A 14 9.165 -10.230 -8.360 1.00 0.00 H new ATOM 230 N SER A 15 5.059 -13.583 -7.957 1.00 0.00 N ATOM 231 CA SER A 15 4.837 -14.979 -7.618 1.00 0.00 C ATOM 232 C SER A 15 5.214 -15.871 -8.800 1.00 0.00 C ATOM 233 O SER A 15 5.567 -15.374 -9.870 1.00 0.00 O ATOM 234 CB SER A 15 3.380 -15.222 -7.212 1.00 0.00 C ATOM 235 OG SER A 15 2.485 -15.046 -8.308 1.00 0.00 O ATOM 0 H SER A 15 4.422 -13.208 -8.660 1.00 0.00 H new ATOM 0 HA SER A 15 5.470 -15.229 -6.767 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.277 -16.233 -6.818 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.108 -14.538 -6.408 1.00 0.00 H new ATOM 0 HG SER A 15 1.566 -15.211 -8.010 1.00 0.00 H new ATOM 351 N THR A 25 7.110 -18.731 -2.691 1.00 0.00 N ATOM 352 CA THR A 25 6.481 -17.724 -1.853 1.00 0.00 C ATOM 353 C THR A 25 5.835 -16.639 -2.717 1.00 0.00 C ATOM 354 O THR A 25 5.546 -16.864 -3.891 1.00 0.00 O ATOM 355 CB THR A 25 7.539 -17.183 -0.890 1.00 0.00 C ATOM 356 OG1 THR A 25 8.615 -16.793 -1.738 1.00 0.00 O ATOM 357 CG2 THR A 25 8.140 -18.278 -0.005 1.00 0.00 C ATOM 0 HA THR A 25 5.670 -18.151 -1.262 1.00 0.00 H new ATOM 0 HB THR A 25 7.096 -16.410 -0.262 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.602 -17.336 -2.553 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.885 -17.841 0.660 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.351 -18.740 0.588 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.612 -19.034 -0.632 1.00 0.00 H new ATOM 365 N ILE A 26 5.627 -15.484 -2.102 1.00 0.00 N ATOM 366 CA ILE A 26 5.020 -14.363 -2.799 1.00 0.00 C ATOM 367 C ILE A 26 5.842 -13.100 -2.540 1.00 0.00 C ATOM 368 O ILE A 26 6.142 -12.775 -1.392 1.00 0.00 O ATOM 369 CB ILE A 26 3.546 -14.227 -2.414 1.00 0.00 C ATOM 370 CG1 ILE A 26 2.744 -13.567 -3.539 1.00 0.00 C ATOM 371 CG2 ILE A 26 3.392 -13.482 -1.088 1.00 0.00 C ATOM 372 CD1 ILE A 26 1.645 -12.666 -2.972 1.00 0.00 C ATOM 0 H ILE A 26 5.868 -15.300 -1.128 1.00 0.00 H new ATOM 0 HA ILE A 26 5.030 -14.534 -3.875 1.00 0.00 H new ATOM 0 HB ILE A 26 3.137 -15.227 -2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.411 -12.980 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.299 -14.335 -4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.334 -13.399 -0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.909 -14.030 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.822 -12.485 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.090 -12.209 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.966 -13.261 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.095 -11.885 -2.359 1.00 0.00 H new ATOM 384 N GLN A 27 6.185 -12.421 -3.624 1.00 0.00 N ATOM 385 CA GLN A 27 6.967 -11.200 -3.528 1.00 0.00 C ATOM 386 C GLN A 27 6.134 -10.000 -3.980 1.00 0.00 C ATOM 387 O GLN A 27 6.162 -9.625 -5.152 1.00 0.00 O ATOM 388 CB GLN A 27 8.257 -11.310 -4.342 1.00 0.00 C ATOM 389 CG GLN A 27 9.487 -11.251 -3.432 1.00 0.00 C ATOM 390 CD GLN A 27 10.629 -12.096 -3.999 1.00 0.00 C ATOM 391 OE1 GLN A 27 10.448 -12.929 -4.873 1.00 0.00 O ATOM 392 NE2 GLN A 27 11.816 -11.836 -3.456 1.00 0.00 N ATOM 0 H GLN A 27 5.935 -12.693 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 27 7.246 -11.051 -2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.259 -12.245 -4.902 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.301 -10.501 -5.072 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.814 -10.217 -3.323 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.225 -11.609 -2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.899 -11.126 -2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.642 -12.346 -3.768 1.00 0.00 H new ATOM 401 N LEU A 28 5.415 -9.425 -3.027 1.00 0.00 N ATOM 402 CA LEU A 28 4.575 -8.275 -3.313 1.00 0.00 C ATOM 403 C LEU A 28 5.354 -6.993 -3.007 1.00 0.00 C ATOM 404 O LEU A 28 5.467 -6.591 -1.851 1.00 0.00 O ATOM 405 CB LEU A 28 3.247 -8.380 -2.561 1.00 0.00 C ATOM 406 CG LEU A 28 2.088 -9.016 -3.332 1.00 0.00 C ATOM 407 CD1 LEU A 28 1.031 -9.571 -2.374 1.00 0.00 C ATOM 408 CD2 LEU A 28 1.490 -8.029 -4.335 1.00 0.00 C ATOM 0 H LEU A 28 5.397 -9.735 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 28 4.314 -8.248 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.412 -8.957 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.946 -7.379 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 28 2.479 -9.858 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.219 -10.017 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.482 -10.329 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.638 -8.762 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.669 -8.506 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.118 -7.152 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.257 -7.724 -5.047 1.00 0.00 H new ATOM 420 N LEU A 29 5.872 -6.388 -4.067 1.00 0.00 N ATOM 421 CA LEU A 29 6.637 -5.161 -3.927 1.00 0.00 C ATOM 422 C LEU A 29 5.738 -3.966 -4.249 1.00 0.00 C ATOM 423 O LEU A 29 5.201 -3.867 -5.351 1.00 0.00 O ATOM 424 CB LEU A 29 7.907 -5.221 -4.778 1.00 0.00 C ATOM 425 CG LEU A 29 9.140 -5.827 -4.104 1.00 0.00 C ATOM 426 CD1 LEU A 29 8.876 -7.273 -3.678 1.00 0.00 C ATOM 427 CD2 LEU A 29 10.372 -5.710 -5.004 1.00 0.00 C ATOM 0 H LEU A 29 5.777 -6.725 -5.025 1.00 0.00 H new ATOM 0 HA LEU A 29 6.976 -5.039 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.690 -5.796 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.154 -4.209 -5.098 1.00 0.00 H new ATOM 0 HG LEU A 29 9.349 -5.257 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.768 -7.681 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.044 -7.299 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.628 -7.871 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.233 -6.148 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.191 -6.239 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.571 -4.659 -5.214 1.00 0.00 H new ATOM 439 N CYS A 30 5.601 -3.088 -3.266 1.00 0.00 N ATOM 440 CA CYS A 30 4.777 -1.903 -3.429 1.00 0.00 C ATOM 441 C CYS A 30 5.675 -0.751 -3.887 1.00 0.00 C ATOM 442 O CYS A 30 6.778 -0.577 -3.371 1.00 0.00 O ATOM 443 CB CYS A 30 4.018 -1.559 -2.145 1.00 0.00 C ATOM 444 SG CYS A 30 2.196 -1.540 -2.311 1.00 0.00 S ATOM 0 H CYS A 30 6.048 -3.174 -2.353 1.00 0.00 H new ATOM 0 HA CYS A 30 4.014 -2.090 -4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.291 -2.280 -1.374 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.347 -0.580 -1.797 1.00 0.00 H new ATOM 449 N LEU A 31 5.169 0.003 -4.853 1.00 0.00 N ATOM 450 CA LEU A 31 5.912 1.132 -5.386 1.00 0.00 C ATOM 451 C LEU A 31 5.237 2.433 -4.949 1.00 0.00 C ATOM 452 O LEU A 31 4.162 2.772 -5.440 1.00 0.00 O ATOM 453 CB LEU A 31 6.072 1.000 -6.902 1.00 0.00 C ATOM 454 CG LEU A 31 6.418 -0.397 -7.422 1.00 0.00 C ATOM 455 CD1 LEU A 31 5.151 -1.212 -7.689 1.00 0.00 C ATOM 456 CD2 LEU A 31 7.318 -0.315 -8.656 1.00 0.00 C ATOM 0 H LEU A 31 4.255 -0.146 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 31 6.924 1.147 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.144 1.322 -7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.851 1.690 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 31 6.980 -0.920 -6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.425 -2.200 -8.058 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.583 -1.314 -6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.541 -0.703 -8.435 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.549 -1.321 -9.005 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.804 0.234 -9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.243 0.201 -8.398 1.00 0.00 H new ATOM 468 N VAL A 32 5.895 3.126 -4.031 1.00 0.00 N ATOM 469 CA VAL A 32 5.373 4.382 -3.523 1.00 0.00 C ATOM 470 C VAL A 32 6.484 5.435 -3.535 1.00 0.00 C ATOM 471 O VAL A 32 7.498 5.279 -2.853 1.00 0.00 O ATOM 472 CB VAL A 32 4.764 4.172 -2.136 1.00 0.00 C ATOM 473 CG1 VAL A 32 5.851 4.119 -1.061 1.00 0.00 C ATOM 474 CG2 VAL A 32 3.732 5.257 -1.820 1.00 0.00 C ATOM 0 H VAL A 32 6.786 2.840 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 32 4.571 4.749 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 32 4.250 3.211 -2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.390 3.969 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.531 3.294 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.407 5.056 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.314 5.084 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.213 6.235 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.933 5.226 -2.561 1.00 0.00 H new ATOM 484 N SER A 33 6.257 6.481 -4.316 1.00 0.00 N ATOM 485 CA SER A 33 7.225 7.557 -4.425 1.00 0.00 C ATOM 486 C SER A 33 6.517 8.865 -4.780 1.00 0.00 C ATOM 487 O SER A 33 5.290 8.905 -4.879 1.00 0.00 O ATOM 488 CB SER A 33 8.295 7.233 -5.469 1.00 0.00 C ATOM 489 OG SER A 33 7.724 6.817 -6.706 1.00 0.00 O ATOM 0 H SER A 33 5.416 6.605 -4.879 1.00 0.00 H new ATOM 0 HA SER A 33 7.720 7.669 -3.460 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.918 8.112 -5.635 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.947 6.447 -5.088 1.00 0.00 H new ATOM 0 HG SER A 33 8.439 6.621 -7.347 1.00 0.00 H new ATOM 495 N GLY A 34 7.317 9.904 -4.965 1.00 0.00 N ATOM 496 CA GLY A 34 6.781 11.211 -5.308 1.00 0.00 C ATOM 497 C GLY A 34 6.283 11.944 -4.060 1.00 0.00 C ATOM 498 O GLY A 34 6.594 13.118 -3.859 1.00 0.00 O ATOM 0 H GLY A 34 8.333 9.868 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.550 11.806 -5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.962 11.097 -6.018 1.00 0.00 H new ATOM 502 N TYR A 35 5.520 11.222 -3.253 1.00 0.00 N ATOM 503 CA TYR A 35 4.975 11.789 -2.032 1.00 0.00 C ATOM 504 C TYR A 35 6.094 12.193 -1.070 1.00 0.00 C ATOM 505 O TYR A 35 7.211 11.688 -1.163 1.00 0.00 O ATOM 506 CB TYR A 35 4.142 10.679 -1.387 1.00 0.00 C ATOM 507 CG TYR A 35 4.966 9.485 -0.901 1.00 0.00 C ATOM 508 CD1 TYR A 35 5.827 9.628 0.167 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.847 8.263 -1.532 1.00 0.00 C ATOM 510 CE1 TYR A 35 6.602 8.504 0.625 1.00 0.00 C ATOM 511 CE2 TYR A 35 5.623 7.138 -1.076 1.00 0.00 C ATOM 512 CZ TYR A 35 6.460 7.315 -0.020 1.00 0.00 C ATOM 513 OH TYR A 35 7.193 6.253 0.412 1.00 0.00 O ATOM 0 H TYR A 35 5.266 10.248 -3.421 1.00 0.00 H new ATOM 0 HA TYR A 35 4.387 12.680 -2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.592 11.095 -0.543 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.403 10.328 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.920 10.584 0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.172 8.150 -2.368 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.279 8.603 1.460 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.541 6.177 -1.562 1.00 0.00 H new ATOM 0 HH TYR A 35 8.086 6.558 0.675 1.00 0.00 H new ATOM 523 N THR A 36 5.754 13.103 -0.167 1.00 0.00 N ATOM 524 CA THR A 36 6.717 13.583 0.811 1.00 0.00 C ATOM 525 C THR A 36 8.053 13.893 0.135 1.00 0.00 C ATOM 526 O THR A 36 8.472 13.182 -0.778 1.00 0.00 O ATOM 527 CB THR A 36 6.823 12.536 1.920 1.00 0.00 C ATOM 528 OG1 THR A 36 5.478 12.130 2.148 1.00 0.00 O ATOM 529 CG2 THR A 36 7.262 13.140 3.256 1.00 0.00 C ATOM 0 H THR A 36 4.826 13.520 -0.092 1.00 0.00 H new ATOM 0 HA THR A 36 6.393 14.521 1.261 1.00 0.00 H new ATOM 0 HB THR A 36 7.531 11.763 1.621 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.160 12.512 2.992 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.321 12.354 4.009 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.240 13.606 3.140 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.537 13.891 3.572 1.00 0.00 H new ATOM 537 N PRO A 37 8.705 14.983 0.623 1.00 0.00 N ATOM 538 CA PRO A 37 9.986 15.396 0.077 1.00 0.00 C ATOM 539 C PRO A 37 11.109 14.472 0.552 1.00 0.00 C ATOM 540 O PRO A 37 12.221 14.519 0.028 1.00 0.00 O ATOM 541 CB PRO A 37 10.166 16.833 0.538 1.00 0.00 C ATOM 542 CG PRO A 37 9.208 17.018 1.705 1.00 0.00 C ATOM 543 CD PRO A 37 8.239 15.849 1.703 1.00 0.00 C ATOM 0 HA PRO A 37 10.018 15.333 -1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.195 17.019 0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.941 17.533 -0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.756 17.057 2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.669 17.961 1.610 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.246 15.327 2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.216 16.183 1.529 1.00 0.00 H new ATOM 551 N GLY A 38 10.778 13.651 1.538 1.00 0.00 N ATOM 552 CA GLY A 38 11.745 12.715 2.088 1.00 0.00 C ATOM 553 C GLY A 38 11.221 11.280 2.017 1.00 0.00 C ATOM 554 O GLY A 38 11.888 10.397 1.479 1.00 0.00 O ATOM 0 H GLY A 38 9.855 13.614 1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.683 12.791 1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.961 12.976 3.124 1.00 0.00 H new ATOM 558 N THR A 39 10.031 11.090 2.568 1.00 0.00 N ATOM 559 CA THR A 39 9.409 9.777 2.574 1.00 0.00 C ATOM 560 C THR A 39 8.259 9.735 3.581 1.00 0.00 C ATOM 561 O THR A 39 8.046 10.691 4.327 1.00 0.00 O ATOM 562 CB THR A 39 10.499 8.739 2.851 1.00 0.00 C ATOM 563 OG1 THR A 39 10.906 8.307 1.556 1.00 0.00 O ATOM 564 CG2 THR A 39 9.948 7.473 3.510 1.00 0.00 C ATOM 0 H THR A 39 9.481 11.824 3.014 1.00 0.00 H new ATOM 0 HA THR A 39 8.960 9.548 1.608 1.00 0.00 H new ATOM 0 HB THR A 39 11.263 9.179 3.492 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.166 9.084 1.019 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.762 6.770 3.685 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.481 7.731 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.207 7.015 2.855 1.00 0.00 H new ATOM 572 N ILE A 40 7.547 8.618 3.572 1.00 0.00 N ATOM 573 CA ILE A 40 6.424 8.438 4.477 1.00 0.00 C ATOM 574 C ILE A 40 6.666 7.201 5.342 1.00 0.00 C ATOM 575 O ILE A 40 7.794 6.941 5.759 1.00 0.00 O ATOM 576 CB ILE A 40 5.109 8.396 3.696 1.00 0.00 C ATOM 577 CG1 ILE A 40 5.083 7.209 2.730 1.00 0.00 C ATOM 578 CG2 ILE A 40 4.852 9.723 2.981 1.00 0.00 C ATOM 579 CD1 ILE A 40 4.096 7.453 1.587 1.00 0.00 C ATOM 0 H ILE A 40 7.726 7.828 2.952 1.00 0.00 H new ATOM 0 HA ILE A 40 6.339 9.288 5.154 1.00 0.00 H new ATOM 0 HB ILE A 40 4.295 8.251 4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.081 7.044 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.804 6.303 3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.911 9.665 2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.796 10.527 3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.665 9.924 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.097 6.594 0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.095 7.593 1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.392 8.345 1.035 1.00 0.00 H new ATOM 591 N ASN A 41 5.588 6.471 5.590 1.00 0.00 N ATOM 592 CA ASN A 41 5.667 5.267 6.400 1.00 0.00 C ATOM 593 C ASN A 41 5.380 4.047 5.522 1.00 0.00 C ATOM 594 O ASN A 41 4.708 4.159 4.498 1.00 0.00 O ATOM 595 CB ASN A 41 4.634 5.292 7.527 1.00 0.00 C ATOM 596 CG ASN A 41 4.976 4.264 8.608 1.00 0.00 C ATOM 597 OD1 ASN A 41 4.228 3.340 8.883 1.00 0.00 O ATOM 598 ND2 ASN A 41 6.147 4.476 9.204 1.00 0.00 N ATOM 0 H ASN A 41 4.654 6.691 5.244 1.00 0.00 H new ATOM 0 HA ASN A 41 6.667 5.215 6.830 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.595 6.288 7.967 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.644 5.083 7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.467 3.845 9.939 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.725 5.269 8.926 1.00 0.00 H new ATOM 605 N ILE A 42 5.905 2.910 5.956 1.00 0.00 N ATOM 606 CA ILE A 42 5.713 1.671 5.222 1.00 0.00 C ATOM 607 C ILE A 42 5.135 0.611 6.163 1.00 0.00 C ATOM 608 O ILE A 42 5.777 0.223 7.136 1.00 0.00 O ATOM 609 CB ILE A 42 7.015 1.243 4.541 1.00 0.00 C ATOM 610 CG1 ILE A 42 7.702 2.436 3.873 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.770 0.098 3.558 1.00 0.00 C ATOM 612 CD1 ILE A 42 9.223 2.338 4.005 1.00 0.00 C ATOM 0 H ILE A 42 6.462 2.821 6.806 1.00 0.00 H new ATOM 0 HA ILE A 42 4.991 1.813 4.417 1.00 0.00 H new ATOM 0 HB ILE A 42 7.694 0.868 5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.427 2.475 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.353 3.363 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.712 -0.186 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.358 -0.758 4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.065 0.421 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.686 3.198 3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.496 2.324 5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.571 1.422 3.527 1.00 0.00 H new ATOM 624 N THR A 43 3.927 0.173 5.837 1.00 0.00 N ATOM 625 CA THR A 43 3.254 -0.834 6.639 1.00 0.00 C ATOM 626 C THR A 43 2.342 -1.693 5.762 1.00 0.00 C ATOM 627 O THR A 43 1.935 -1.269 4.681 1.00 0.00 O ATOM 628 CB THR A 43 2.512 -0.118 7.769 1.00 0.00 C ATOM 629 OG1 THR A 43 3.371 0.965 8.119 1.00 0.00 O ATOM 630 CG2 THR A 43 2.437 -0.960 9.045 1.00 0.00 C ATOM 0 H THR A 43 3.397 0.498 5.028 1.00 0.00 H new ATOM 0 HA THR A 43 3.968 -1.526 7.086 1.00 0.00 H new ATOM 0 HB THR A 43 1.504 0.133 7.439 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.836 1.706 8.471 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.901 -0.406 9.815 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.911 -1.892 8.836 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.445 -1.183 9.394 1.00 0.00 H new ATOM 638 N TRP A 44 2.049 -2.887 6.260 1.00 0.00 N ATOM 639 CA TRP A 44 1.192 -3.809 5.535 1.00 0.00 C ATOM 640 C TRP A 44 0.267 -4.488 6.545 1.00 0.00 C ATOM 641 O TRP A 44 0.724 -5.000 7.567 1.00 0.00 O ATOM 642 CB TRP A 44 2.022 -4.804 4.723 1.00 0.00 C ATOM 643 CG TRP A 44 3.034 -4.148 3.780 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.983 -3.254 4.084 1.00 0.00 C ATOM 645 CD2 TRP A 44 3.158 -4.373 2.360 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.708 -2.886 2.969 1.00 0.00 N ATOM 647 CE2 TRP A 44 4.190 -3.589 1.887 1.00 0.00 C ATOM 648 CE3 TRP A 44 2.423 -5.212 1.504 1.00 0.00 C ATOM 649 CZ2 TRP A 44 4.581 -3.567 0.543 1.00 0.00 C ATOM 650 CZ3 TRP A 44 2.825 -5.178 0.164 1.00 0.00 C ATOM 651 CH2 TRP A 44 3.863 -4.394 -0.328 1.00 0.00 C ATOM 0 H TRP A 44 2.390 -3.236 7.156 1.00 0.00 H new ATOM 0 HA TRP A 44 0.581 -3.276 4.807 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.554 -5.462 5.409 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.349 -5.431 4.138 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.159 -2.869 5.078 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.481 -2.221 2.943 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.612 -5.834 1.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.393 -2.945 0.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.292 -5.804 -0.537 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.114 -4.423 -1.378 1.00 0.00 H new ATOM 662 N LEU A 45 -1.020 -4.471 6.227 1.00 0.00 N ATOM 663 CA LEU A 45 -2.015 -5.079 7.095 1.00 0.00 C ATOM 664 C LEU A 45 -2.307 -6.500 6.611 1.00 0.00 C ATOM 665 O LEU A 45 -2.780 -6.694 5.493 1.00 0.00 O ATOM 666 CB LEU A 45 -3.258 -4.193 7.187 1.00 0.00 C ATOM 667 CG LEU A 45 -3.731 -3.847 8.602 1.00 0.00 C ATOM 668 CD1 LEU A 45 -4.565 -2.565 8.601 1.00 0.00 C ATOM 669 CD2 LEU A 45 -4.483 -5.020 9.229 1.00 0.00 C ATOM 0 H LEU A 45 -1.396 -4.046 5.380 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.634 -5.161 8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.058 -3.263 6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.074 -4.691 6.664 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.854 -3.660 9.221 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.889 -2.341 9.617 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.963 -1.739 8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.439 -2.700 7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.808 -4.749 10.233 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.353 -5.262 8.619 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.825 -5.887 9.283 1.00 0.00 H new ATOM 681 N GLU A 46 -2.013 -7.458 7.478 1.00 0.00 N ATOM 682 CA GLU A 46 -2.238 -8.856 7.153 1.00 0.00 C ATOM 683 C GLU A 46 -3.548 -9.342 7.775 1.00 0.00 C ATOM 684 O GLU A 46 -3.928 -8.896 8.858 1.00 0.00 O ATOM 685 CB GLU A 46 -1.062 -9.722 7.608 1.00 0.00 C ATOM 686 CG GLU A 46 -0.970 -11.002 6.776 1.00 0.00 C ATOM 687 CD GLU A 46 -1.624 -12.178 7.506 1.00 0.00 C ATOM 688 OE1 GLU A 46 -1.390 -12.369 8.708 1.00 0.00 O ATOM 689 OE2 GLU A 46 -2.402 -12.907 6.780 1.00 0.00 O ATOM 0 H GLU A 46 -1.621 -7.293 8.405 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.316 -8.948 6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.134 -9.158 7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.179 -9.976 8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.458 -10.850 5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.075 -11.232 6.571 1.00 0.00 H new ATOM 697 N ASP A 47 -4.206 -10.248 7.065 1.00 0.00 N ATOM 698 CA ASP A 47 -5.465 -10.798 7.535 1.00 0.00 C ATOM 699 C ASP A 47 -5.582 -12.253 7.078 1.00 0.00 C ATOM 700 O ASP A 47 -5.988 -12.521 5.947 1.00 0.00 O ATOM 701 CB ASP A 47 -6.651 -10.024 6.960 1.00 0.00 C ATOM 702 CG ASP A 47 -7.359 -9.094 7.950 1.00 0.00 C ATOM 703 OD1 ASP A 47 -8.512 -9.329 8.336 1.00 0.00 O ATOM 704 OD2 ASP A 47 -6.664 -8.076 8.330 1.00 0.00 O ATOM 0 H ASP A 47 -3.890 -10.614 6.167 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.481 -10.726 8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.303 -9.432 6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.378 -10.738 6.572 1.00 0.00 H new ATOM 796 N ASP A 54 5.119 -13.361 7.112 1.00 0.00 N ATOM 797 CA ASP A 54 4.493 -12.619 6.031 1.00 0.00 C ATOM 798 C ASP A 54 4.516 -11.126 6.362 1.00 0.00 C ATOM 799 O ASP A 54 3.546 -10.589 6.895 1.00 0.00 O ATOM 800 CB ASP A 54 3.034 -13.040 5.846 1.00 0.00 C ATOM 801 CG ASP A 54 2.252 -12.226 4.813 1.00 0.00 C ATOM 802 OD1 ASP A 54 1.079 -12.513 4.529 1.00 0.00 O ATOM 803 OD2 ASP A 54 2.903 -11.247 4.283 1.00 0.00 O ATOM 0 HA ASP A 54 5.047 -12.827 5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.009 -14.090 5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.525 -12.964 6.807 1.00 0.00 H new ATOM 809 N LEU A 55 5.635 -10.496 6.033 1.00 0.00 N ATOM 810 CA LEU A 55 5.797 -9.076 6.290 1.00 0.00 C ATOM 811 C LEU A 55 6.383 -8.401 5.047 1.00 0.00 C ATOM 812 O LEU A 55 7.086 -9.036 4.266 1.00 0.00 O ATOM 813 CB LEU A 55 6.622 -8.850 7.558 1.00 0.00 C ATOM 814 CG LEU A 55 7.703 -7.771 7.473 1.00 0.00 C ATOM 815 CD1 LEU A 55 8.766 -8.139 6.436 1.00 0.00 C ATOM 816 CD2 LEU A 55 7.086 -6.398 7.198 1.00 0.00 C ATOM 0 H LEU A 55 6.438 -10.944 5.591 1.00 0.00 H new ATOM 0 HA LEU A 55 4.830 -8.611 6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.941 -8.591 8.369 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.098 -9.792 7.830 1.00 0.00 H new ATOM 0 HG LEU A 55 8.203 -7.712 8.440 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.522 -7.355 6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.236 -9.082 6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.299 -8.242 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.876 -5.649 7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.544 -6.425 6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.398 -6.141 8.003 1.00 0.00 H new ATOM 828 N SER A 56 6.070 -7.121 4.904 1.00 0.00 N ATOM 829 CA SER A 56 6.556 -6.353 3.770 1.00 0.00 C ATOM 830 C SER A 56 7.196 -5.051 4.257 1.00 0.00 C ATOM 831 O SER A 56 6.645 -4.371 5.120 1.00 0.00 O ATOM 832 CB SER A 56 5.427 -6.056 2.783 1.00 0.00 C ATOM 833 OG SER A 56 4.157 -6.464 3.284 1.00 0.00 O ATOM 0 H SER A 56 5.486 -6.597 5.555 1.00 0.00 H new ATOM 0 HA SER A 56 7.308 -6.946 3.250 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.405 -4.988 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.626 -6.567 1.841 1.00 0.00 H new ATOM 0 HG SER A 56 3.460 -5.873 2.929 1.00 0.00 H new ATOM 839 N THR A 57 8.348 -4.744 3.679 1.00 0.00 N ATOM 840 CA THR A 57 9.067 -3.536 4.042 1.00 0.00 C ATOM 841 C THR A 57 9.432 -2.735 2.790 1.00 0.00 C ATOM 842 O THR A 57 9.576 -3.301 1.707 1.00 0.00 O ATOM 843 CB THR A 57 10.283 -3.942 4.878 1.00 0.00 C ATOM 844 OG1 THR A 57 10.075 -5.328 5.142 1.00 0.00 O ATOM 845 CG2 THR A 57 10.282 -3.295 6.264 1.00 0.00 C ATOM 0 H THR A 57 8.801 -5.311 2.962 1.00 0.00 H new ATOM 0 HA THR A 57 8.446 -2.873 4.645 1.00 0.00 H new ATOM 0 HB THR A 57 11.196 -3.667 4.349 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.819 -5.674 5.678 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.165 -3.616 6.816 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.294 -2.210 6.159 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.386 -3.597 6.806 1.00 0.00 H new ATOM 853 N ALA A 58 9.569 -1.431 2.979 1.00 0.00 N ATOM 854 CA ALA A 58 9.914 -0.548 1.878 1.00 0.00 C ATOM 855 C ALA A 58 11.031 0.400 2.322 1.00 0.00 C ATOM 856 O ALA A 58 11.184 0.672 3.511 1.00 0.00 O ATOM 857 CB ALA A 58 8.664 0.202 1.415 1.00 0.00 C ATOM 0 H ALA A 58 9.447 -0.965 3.878 1.00 0.00 H new ATOM 0 HA ALA A 58 10.285 -1.121 1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.922 0.865 0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.912 -0.514 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.266 0.791 2.241 1.00 0.00 H new ATOM 863 N SER A 59 11.782 0.878 1.340 1.00 0.00 N ATOM 864 CA SER A 59 12.880 1.790 1.613 1.00 0.00 C ATOM 865 C SER A 59 12.533 3.192 1.111 1.00 0.00 C ATOM 866 O SER A 59 11.535 3.377 0.416 1.00 0.00 O ATOM 867 CB SER A 59 14.177 1.299 0.966 1.00 0.00 C ATOM 868 OG SER A 59 15.319 1.985 1.472 1.00 0.00 O ATOM 0 H SER A 59 11.652 0.651 0.354 1.00 0.00 H new ATOM 0 HA SER A 59 13.035 1.826 2.691 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.288 0.229 1.144 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.119 1.439 -0.113 1.00 0.00 H new ATOM 0 HG SER A 59 16.127 1.642 1.036 1.00 0.00 H new ATOM 874 N THR A 60 13.376 4.143 1.483 1.00 0.00 N ATOM 875 CA THR A 60 13.170 5.524 1.078 1.00 0.00 C ATOM 876 C THR A 60 14.141 5.901 -0.044 1.00 0.00 C ATOM 877 O THR A 60 15.268 5.409 -0.087 1.00 0.00 O ATOM 878 CB THR A 60 13.307 6.407 2.321 1.00 0.00 C ATOM 879 OG1 THR A 60 13.311 7.735 1.805 1.00 0.00 O ATOM 880 CG2 THR A 60 14.675 6.265 2.995 1.00 0.00 C ATOM 0 H THR A 60 14.202 3.986 2.060 1.00 0.00 H new ATOM 0 HA THR A 60 12.172 5.670 0.665 1.00 0.00 H new ATOM 0 HB THR A 60 12.523 6.152 3.034 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.466 7.908 1.340 1.00 0.00 H new ATOM 0 HG21 THR A 60 14.718 6.913 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 60 14.824 5.230 3.302 1.00 0.00 H new ATOM 0 HG23 THR A 60 15.458 6.551 2.293 1.00 0.00 H new ATOM 888 N THR A 61 13.668 6.771 -0.924 1.00 0.00 N ATOM 889 CA THR A 61 14.479 7.219 -2.044 1.00 0.00 C ATOM 890 C THR A 61 14.324 8.729 -2.245 1.00 0.00 C ATOM 891 O THR A 61 13.342 9.319 -1.797 1.00 0.00 O ATOM 892 CB THR A 61 14.085 6.398 -3.273 1.00 0.00 C ATOM 893 OG1 THR A 61 12.730 6.035 -3.026 1.00 0.00 O ATOM 894 CG2 THR A 61 14.823 5.060 -3.345 1.00 0.00 C ATOM 0 H THR A 61 12.733 7.178 -0.884 1.00 0.00 H new ATOM 0 HA THR A 61 15.540 7.056 -1.854 1.00 0.00 H new ATOM 0 HB THR A 61 14.290 6.973 -4.176 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.325 5.699 -3.853 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.506 4.517 -4.236 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.897 5.239 -3.392 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.592 4.469 -2.459 1.00 0.00 H new ATOM 902 N GLN A 62 15.307 9.308 -2.917 1.00 0.00 N ATOM 903 CA GLN A 62 15.291 10.736 -3.183 1.00 0.00 C ATOM 904 C GLN A 62 15.212 10.995 -4.689 1.00 0.00 C ATOM 905 O GLN A 62 15.959 10.402 -5.466 1.00 0.00 O ATOM 906 CB GLN A 62 16.515 11.422 -2.572 1.00 0.00 C ATOM 907 CG GLN A 62 16.228 11.885 -1.144 1.00 0.00 C ATOM 908 CD GLN A 62 17.475 11.758 -0.265 1.00 0.00 C ATOM 909 OE1 GLN A 62 18.598 11.706 -0.740 1.00 0.00 O ATOM 910 NE2 GLN A 62 17.215 11.708 1.039 1.00 0.00 N ATOM 0 H GLN A 62 16.120 8.814 -3.285 1.00 0.00 H new ATOM 0 HA GLN A 62 14.405 11.163 -2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.360 10.733 -2.572 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.801 12.277 -3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.890 12.921 -1.155 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.418 11.290 -0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.251 11.757 1.369 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.980 11.621 1.709 1.00 0.00 H new ATOM 919 N GLU A 63 14.297 11.881 -5.058 1.00 0.00 N ATOM 920 CA GLU A 63 14.110 12.226 -6.456 1.00 0.00 C ATOM 921 C GLU A 63 13.936 13.738 -6.611 1.00 0.00 C ATOM 922 O GLU A 63 12.879 14.204 -7.035 1.00 0.00 O ATOM 923 CB GLU A 63 12.919 11.472 -7.052 1.00 0.00 C ATOM 924 CG GLU A 63 13.191 9.969 -7.103 1.00 0.00 C ATOM 925 CD GLU A 63 12.709 9.368 -8.426 1.00 0.00 C ATOM 926 OE1 GLU A 63 13.531 8.903 -9.231 1.00 0.00 O ATOM 927 OE2 GLU A 63 11.432 9.394 -8.603 1.00 0.00 O ATOM 0 H GLU A 63 13.677 12.370 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 63 15.001 11.925 -7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.027 11.664 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.716 11.842 -8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.259 9.785 -6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.688 9.476 -6.271 1.00 0.00 H new ATOM 935 N GLY A 64 14.990 14.460 -6.262 1.00 0.00 N ATOM 936 CA GLY A 64 14.966 15.911 -6.358 1.00 0.00 C ATOM 937 C GLY A 64 14.076 16.517 -5.274 1.00 0.00 C ATOM 938 O GLY A 64 14.433 16.512 -4.095 1.00 0.00 O ATOM 0 H GLY A 64 15.865 14.069 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.979 16.302 -6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.601 16.208 -7.341 1.00 0.00 H new ATOM 942 N GLU A 65 12.932 17.027 -5.707 1.00 0.00 N ATOM 943 CA GLU A 65 11.987 17.636 -4.788 1.00 0.00 C ATOM 944 C GLU A 65 10.932 16.616 -4.358 1.00 0.00 C ATOM 945 O GLU A 65 10.058 16.924 -3.549 1.00 0.00 O ATOM 946 CB GLU A 65 11.334 18.873 -5.411 1.00 0.00 C ATOM 947 CG GLU A 65 10.574 19.683 -4.357 1.00 0.00 C ATOM 948 CD GLU A 65 11.254 21.030 -4.105 1.00 0.00 C ATOM 949 OE1 GLU A 65 10.673 22.082 -4.410 1.00 0.00 O ATOM 950 OE2 GLU A 65 12.428 20.956 -3.577 1.00 0.00 O ATOM 0 H GLU A 65 12.639 17.031 -6.684 1.00 0.00 H new ATOM 0 HA GLU A 65 12.531 17.962 -3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.098 19.498 -5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.650 18.568 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.548 19.846 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.523 19.118 -3.426 1.00 0.00 H new ATOM 958 N LEU A 66 11.046 15.422 -4.918 1.00 0.00 N ATOM 959 CA LEU A 66 10.112 14.354 -4.602 1.00 0.00 C ATOM 960 C LEU A 66 10.818 13.301 -3.746 1.00 0.00 C ATOM 961 O LEU A 66 12.039 13.332 -3.599 1.00 0.00 O ATOM 962 CB LEU A 66 9.493 13.789 -5.883 1.00 0.00 C ATOM 963 CG LEU A 66 8.444 14.672 -6.567 1.00 0.00 C ATOM 964 CD1 LEU A 66 9.039 15.384 -7.783 1.00 0.00 C ATOM 965 CD2 LEU A 66 7.197 13.862 -6.928 1.00 0.00 C ATOM 0 H LEU A 66 11.771 15.169 -5.589 1.00 0.00 H new ATOM 0 HA LEU A 66 9.279 14.738 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.295 13.593 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.034 12.829 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 66 8.132 15.443 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.275 16.004 -8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.872 16.012 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.395 14.644 -8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.468 14.512 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.471 13.055 -7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.762 13.441 -6.022 1.00 0.00 H new ATOM 977 N ALA A 67 10.020 12.393 -3.203 1.00 0.00 N ATOM 978 CA ALA A 67 10.553 11.333 -2.365 1.00 0.00 C ATOM 979 C ALA A 67 9.915 10.001 -2.766 1.00 0.00 C ATOM 980 O ALA A 67 8.694 9.856 -2.716 1.00 0.00 O ATOM 981 CB ALA A 67 10.312 11.676 -0.894 1.00 0.00 C ATOM 0 H ALA A 67 9.008 12.370 -3.327 1.00 0.00 H new ATOM 0 HA ALA A 67 11.630 11.237 -2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.712 10.881 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.811 12.615 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.242 11.777 -0.715 1.00 0.00 H new ATOM 987 N SER A 68 10.769 9.065 -3.154 1.00 0.00 N ATOM 988 CA SER A 68 10.302 7.752 -3.561 1.00 0.00 C ATOM 989 C SER A 68 10.396 6.775 -2.389 1.00 0.00 C ATOM 990 O SER A 68 10.823 7.148 -1.297 1.00 0.00 O ATOM 991 CB SER A 68 11.105 7.229 -4.754 1.00 0.00 C ATOM 992 OG SER A 68 10.902 5.834 -4.965 1.00 0.00 O ATOM 0 H SER A 68 11.780 9.190 -3.195 1.00 0.00 H new ATOM 0 HA SER A 68 9.260 7.840 -3.868 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.818 7.777 -5.652 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.165 7.420 -4.589 1.00 0.00 H new ATOM 0 HG SER A 68 11.431 5.539 -5.736 1.00 0.00 H new ATOM 998 N THR A 69 9.990 5.540 -2.653 1.00 0.00 N ATOM 999 CA THR A 69 10.026 4.506 -1.632 1.00 0.00 C ATOM 1000 C THR A 69 9.723 3.140 -2.249 1.00 0.00 C ATOM 1001 O THR A 69 8.670 2.947 -2.856 1.00 0.00 O ATOM 1002 CB THR A 69 9.047 4.904 -0.525 1.00 0.00 C ATOM 1003 OG1 THR A 69 9.855 5.603 0.417 1.00 0.00 O ATOM 1004 CG2 THR A 69 8.524 3.695 0.255 1.00 0.00 C ATOM 0 H THR A 69 9.635 5.233 -3.559 1.00 0.00 H new ATOM 0 HA THR A 69 11.019 4.416 -1.192 1.00 0.00 H new ATOM 0 HB THR A 69 8.207 5.447 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.200 6.423 0.007 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.834 4.032 1.028 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.005 3.020 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.360 3.171 0.718 1.00 0.00 H new ATOM 1012 N GLN A 70 10.665 2.225 -2.071 1.00 0.00 N ATOM 1013 CA GLN A 70 10.513 0.881 -2.601 1.00 0.00 C ATOM 1014 C GLN A 70 10.010 -0.067 -1.510 1.00 0.00 C ATOM 1015 O GLN A 70 10.690 -0.282 -0.508 1.00 0.00 O ATOM 1016 CB GLN A 70 11.826 0.377 -3.203 1.00 0.00 C ATOM 1017 CG GLN A 70 12.078 1.007 -4.575 1.00 0.00 C ATOM 1018 CD GLN A 70 13.110 0.203 -5.366 1.00 0.00 C ATOM 1019 OE1 GLN A 70 13.075 -1.017 -5.422 1.00 0.00 O ATOM 1020 NE2 GLN A 70 14.029 0.948 -5.973 1.00 0.00 N ATOM 0 H GLN A 70 11.537 2.388 -1.567 1.00 0.00 H new ATOM 0 HA GLN A 70 9.772 0.909 -3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.652 0.614 -2.533 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.794 -0.708 -3.298 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.143 1.056 -5.134 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.428 2.032 -4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.001 1.964 -5.886 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.762 0.504 -6.526 1.00 0.00 H new ATOM 1029 N SER A 71 8.823 -0.610 -1.741 1.00 0.00 N ATOM 1030 CA SER A 71 8.222 -1.528 -0.791 1.00 0.00 C ATOM 1031 C SER A 71 8.289 -2.958 -1.333 1.00 0.00 C ATOM 1032 O SER A 71 8.193 -3.173 -2.539 1.00 0.00 O ATOM 1033 CB SER A 71 6.773 -1.141 -0.490 1.00 0.00 C ATOM 1034 OG SER A 71 6.553 0.259 -0.643 1.00 0.00 O ATOM 0 H SER A 71 8.262 -0.431 -2.574 1.00 0.00 H new ATOM 0 HA SER A 71 8.784 -1.472 0.141 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.106 -1.688 -1.156 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.522 -1.439 0.528 1.00 0.00 H new ATOM 0 HG SER A 71 6.550 0.487 -1.596 1.00 0.00 H new ATOM 1040 N GLU A 72 8.449 -3.898 -0.414 1.00 0.00 N ATOM 1041 CA GLU A 72 8.528 -5.302 -0.783 1.00 0.00 C ATOM 1042 C GLU A 72 7.733 -6.156 0.204 1.00 0.00 C ATOM 1043 O GLU A 72 7.589 -5.794 1.370 1.00 0.00 O ATOM 1044 CB GLU A 72 9.984 -5.766 -0.863 1.00 0.00 C ATOM 1045 CG GLU A 72 10.944 -4.574 -0.824 1.00 0.00 C ATOM 1046 CD GLU A 72 12.372 -5.010 -1.153 1.00 0.00 C ATOM 1047 OE1 GLU A 72 13.183 -5.223 -0.237 1.00 0.00 O ATOM 1048 OE2 GLU A 72 12.631 -5.127 -2.411 1.00 0.00 O ATOM 0 H GLU A 72 8.526 -3.715 0.587 1.00 0.00 H new ATOM 0 HA GLU A 72 8.088 -5.423 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.201 -6.439 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.139 -6.332 -1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.618 -3.816 -1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.919 -4.114 0.164 1.00 0.00 H new ATOM 1056 N LEU A 73 7.235 -7.277 -0.299 1.00 0.00 N ATOM 1057 CA LEU A 73 6.457 -8.186 0.524 1.00 0.00 C ATOM 1058 C LEU A 73 6.986 -9.610 0.342 1.00 0.00 C ATOM 1059 O LEU A 73 7.340 -10.008 -0.767 1.00 0.00 O ATOM 1060 CB LEU A 73 4.964 -8.041 0.220 1.00 0.00 C ATOM 1061 CG LEU A 73 4.025 -8.932 1.034 1.00 0.00 C ATOM 1062 CD1 LEU A 73 2.702 -8.218 1.322 1.00 0.00 C ATOM 1063 CD2 LEU A 73 3.810 -10.280 0.341 1.00 0.00 C ATOM 0 H LEU A 73 7.356 -7.576 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 73 6.569 -7.935 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.679 -7.002 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.807 -8.252 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 73 4.496 -9.135 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.053 -8.874 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.896 -7.307 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.213 -7.964 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.138 -10.894 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.371 -10.117 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.767 -10.790 0.231 1.00 0.00 H new ATOM 1075 N THR A 74 7.023 -10.340 1.447 1.00 0.00 N ATOM 1076 CA THR A 74 7.502 -11.712 1.423 1.00 0.00 C ATOM 1077 C THR A 74 6.647 -12.592 2.336 1.00 0.00 C ATOM 1078 O THR A 74 6.592 -12.372 3.545 1.00 0.00 O ATOM 1079 CB THR A 74 8.985 -11.700 1.806 1.00 0.00 C ATOM 1080 OG1 THR A 74 9.277 -10.323 2.019 1.00 0.00 O ATOM 1081 CG2 THR A 74 9.892 -12.100 0.640 1.00 0.00 C ATOM 0 H THR A 74 6.729 -10.007 2.365 1.00 0.00 H new ATOM 0 HA THR A 74 7.410 -12.146 0.427 1.00 0.00 H new ATOM 0 HB THR A 74 9.151 -12.378 2.643 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.218 -10.224 2.273 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.933 -12.076 0.964 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.638 -13.107 0.310 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.752 -11.402 -0.186 1.00 0.00 H new ATOM 1089 N LEU A 75 5.997 -13.570 1.720 1.00 0.00 N ATOM 1090 CA LEU A 75 5.145 -14.485 2.463 1.00 0.00 C ATOM 1091 C LEU A 75 5.139 -15.846 1.766 1.00 0.00 C ATOM 1092 O LEU A 75 5.227 -15.921 0.541 1.00 0.00 O ATOM 1093 CB LEU A 75 3.751 -13.882 2.652 1.00 0.00 C ATOM 1094 CG LEU A 75 2.621 -14.551 1.867 1.00 0.00 C ATOM 1095 CD1 LEU A 75 2.043 -15.739 2.642 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.540 -13.535 1.489 1.00 0.00 C ATOM 0 H LEU A 75 6.043 -13.749 0.717 1.00 0.00 H new ATOM 0 HA LEU A 75 5.537 -14.644 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.501 -13.918 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.790 -12.830 2.370 1.00 0.00 H new ATOM 0 HG LEU A 75 3.036 -14.942 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.242 -16.197 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.828 -16.474 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.648 -15.393 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.749 -14.036 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.123 -13.094 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.978 -12.751 0.871 1.00 0.00 H new ATOM 1108 N SER A 76 5.034 -16.889 2.576 1.00 0.00 N ATOM 1109 CA SER A 76 5.014 -18.244 2.053 1.00 0.00 C ATOM 1110 C SER A 76 3.776 -18.451 1.178 1.00 0.00 C ATOM 1111 O SER A 76 2.686 -17.997 1.523 1.00 0.00 O ATOM 1112 CB SER A 76 5.040 -19.273 3.185 1.00 0.00 C ATOM 1113 OG SER A 76 6.139 -20.173 3.065 1.00 0.00 O ATOM 0 H SER A 76 4.962 -16.823 3.591 1.00 0.00 H new ATOM 0 HA SER A 76 5.908 -18.388 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.098 -18.756 4.143 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.108 -19.837 3.183 1.00 0.00 H new ATOM 0 HG SER A 76 6.121 -20.813 3.807 1.00 0.00 H new ATOM 1119 N GLN A 77 3.985 -19.133 0.062 1.00 0.00 N ATOM 1120 CA GLN A 77 2.899 -19.404 -0.864 1.00 0.00 C ATOM 1121 C GLN A 77 1.883 -20.355 -0.228 1.00 0.00 C ATOM 1122 O GLN A 77 0.685 -20.254 -0.489 1.00 0.00 O ATOM 1123 CB GLN A 77 3.432 -19.972 -2.182 1.00 0.00 C ATOM 1124 CG GLN A 77 3.612 -18.864 -3.222 1.00 0.00 C ATOM 1125 CD GLN A 77 2.427 -18.820 -4.189 1.00 0.00 C ATOM 1126 OE1 GLN A 77 2.338 -19.581 -5.138 1.00 0.00 O ATOM 1127 NE2 GLN A 77 1.524 -17.889 -3.894 1.00 0.00 N ATOM 0 H GLN A 77 4.891 -19.506 -0.222 1.00 0.00 H new ATOM 0 HA GLN A 77 2.395 -18.464 -1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.385 -20.471 -2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.742 -20.725 -2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.712 -17.902 -2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.534 -19.030 -3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.661 -17.285 -3.084 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.695 -17.780 -4.478 1.00 0.00 H new ATOM 1136 N LYS A 78 2.399 -21.257 0.593 1.00 0.00 N ATOM 1137 CA LYS A 78 1.553 -22.225 1.268 1.00 0.00 C ATOM 1138 C LYS A 78 0.417 -21.492 1.984 1.00 0.00 C ATOM 1139 O LYS A 78 -0.755 -21.814 1.789 1.00 0.00 O ATOM 1140 CB LYS A 78 2.386 -23.117 2.192 1.00 0.00 C ATOM 1141 CG LYS A 78 1.874 -24.558 2.172 1.00 0.00 C ATOM 1142 CD LYS A 78 1.480 -25.018 3.578 1.00 0.00 C ATOM 1143 CE LYS A 78 2.534 -25.960 4.162 1.00 0.00 C ATOM 1144 NZ LYS A 78 2.282 -26.190 5.602 1.00 0.00 N ATOM 0 H LYS A 78 3.393 -21.338 0.806 1.00 0.00 H new ATOM 0 HA LYS A 78 1.094 -22.898 0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.430 -23.094 1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.348 -22.728 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.014 -24.633 1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.645 -25.217 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.362 -24.151 4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.515 -25.524 3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.518 -26.910 3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.528 -25.534 4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.006 -26.832 5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.320 -25.283 6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.342 -26.617 5.726 1.00 0.00 H new ATOM 1158 N HIS A 79 0.803 -20.520 2.797 1.00 0.00 N ATOM 1159 CA HIS A 79 -0.167 -19.737 3.543 1.00 0.00 C ATOM 1160 C HIS A 79 -1.105 -19.021 2.571 1.00 0.00 C ATOM 1161 O HIS A 79 -2.302 -18.903 2.828 1.00 0.00 O ATOM 1162 CB HIS A 79 0.533 -18.779 4.509 1.00 0.00 C ATOM 1163 CG HIS A 79 0.533 -19.246 5.944 1.00 0.00 C ATOM 1164 ND1 HIS A 79 -0.466 -20.044 6.475 1.00 0.00 N ATOM 1165 CD2 HIS A 79 1.422 -19.019 6.955 1.00 0.00 C ATOM 1166 CE1 HIS A 79 -0.182 -20.280 7.748 1.00 0.00 C ATOM 1167 NE2 HIS A 79 0.987 -19.643 8.042 1.00 0.00 N ATOM 0 H HIS A 79 1.776 -20.257 2.956 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.776 -20.398 4.159 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.564 -18.639 4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.047 -17.805 4.455 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.325 -18.432 6.882 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.772 -20.872 8.432 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.452 -19.646 8.950 1.00 0.00 H new ATOM 1175 N TRP A 80 -0.526 -18.559 1.472 1.00 0.00 N ATOM 1176 CA TRP A 80 -1.294 -17.857 0.458 1.00 0.00 C ATOM 1177 C TRP A 80 -2.392 -18.798 -0.041 1.00 0.00 C ATOM 1178 O TRP A 80 -3.523 -18.375 -0.269 1.00 0.00 O ATOM 1179 CB TRP A 80 -0.387 -17.348 -0.662 1.00 0.00 C ATOM 1180 CG TRP A 80 -1.141 -16.837 -1.893 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -1.833 -17.551 -2.791 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -1.255 -15.465 -2.324 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -2.380 -16.742 -3.767 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -2.017 -15.433 -3.472 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -0.727 -14.288 -1.762 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -2.323 -14.252 -4.158 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -1.043 -13.116 -2.458 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -1.811 -13.067 -3.616 1.00 0.00 C ATOM 0 H TRP A 80 0.467 -18.657 1.262 1.00 0.00 H new ATOM 0 HA TRP A 80 -1.764 -16.967 0.878 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.238 -16.544 -0.272 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.282 -18.152 -0.967 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -1.948 -18.624 -2.756 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -2.946 -17.048 -4.558 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.126 -14.289 -0.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -2.922 -14.255 -5.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.663 -12.183 -2.068 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.012 -12.120 -4.095 1.00 0.00 H new ATOM 1199 N LEU A 81 -2.018 -20.060 -0.197 1.00 0.00 N ATOM 1200 CA LEU A 81 -2.956 -21.066 -0.665 1.00 0.00 C ATOM 1201 C LEU A 81 -4.009 -21.318 0.416 1.00 0.00 C ATOM 1202 O LEU A 81 -5.160 -21.628 0.107 1.00 0.00 O ATOM 1203 CB LEU A 81 -2.213 -22.329 -1.105 1.00 0.00 C ATOM 1204 CG LEU A 81 -2.596 -22.888 -2.476 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -1.654 -24.022 -2.888 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -4.062 -23.323 -2.501 1.00 0.00 C ATOM 0 H LEU A 81 -1.078 -20.408 -0.008 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.485 -20.711 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.144 -22.116 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.382 -23.105 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.484 -22.092 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.948 -24.402 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.632 -23.646 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.710 -24.826 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.308 -23.717 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.225 -24.097 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.700 -22.466 -2.283 1.00 0.00 H new ATOM 1218 N SER A 82 -3.579 -21.174 1.662 1.00 0.00 N ATOM 1219 CA SER A 82 -4.472 -21.381 2.790 1.00 0.00 C ATOM 1220 C SER A 82 -5.388 -20.168 2.963 1.00 0.00 C ATOM 1221 O SER A 82 -6.152 -20.095 3.922 1.00 0.00 O ATOM 1222 CB SER A 82 -3.682 -21.638 4.074 1.00 0.00 C ATOM 1223 OG SER A 82 -3.045 -22.913 4.064 1.00 0.00 O ATOM 0 H SER A 82 -2.625 -20.917 1.915 1.00 0.00 H new ATOM 0 HA SER A 82 -5.082 -22.261 2.587 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.930 -20.858 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.353 -21.575 4.931 1.00 0.00 H new ATOM 0 HG SER A 82 -2.550 -23.038 4.900 1.00 0.00 H new ATOM 1229 N ASP A 83 -5.279 -19.245 2.018 1.00 0.00 N ATOM 1230 CA ASP A 83 -6.087 -18.039 2.054 1.00 0.00 C ATOM 1231 C ASP A 83 -5.412 -17.003 2.957 1.00 0.00 C ATOM 1232 O ASP A 83 -4.747 -17.361 3.926 1.00 0.00 O ATOM 1233 CB ASP A 83 -7.480 -18.325 2.623 1.00 0.00 C ATOM 1234 CG ASP A 83 -8.274 -19.400 1.877 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -9.368 -19.797 2.306 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -7.719 -19.837 0.800 1.00 0.00 O ATOM 0 H ASP A 83 -4.643 -19.309 1.223 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.183 -17.668 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.375 -18.629 3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.056 -17.399 2.617 1.00 0.00 H new ATOM 1242 N ARG A 84 -5.608 -15.740 2.603 1.00 0.00 N ATOM 1243 CA ARG A 84 -5.025 -14.652 3.368 1.00 0.00 C ATOM 1244 C ARG A 84 -5.397 -13.306 2.744 1.00 0.00 C ATOM 1245 O ARG A 84 -5.947 -13.260 1.645 1.00 0.00 O ATOM 1246 CB ARG A 84 -3.502 -14.775 3.431 1.00 0.00 C ATOM 1247 CG ARG A 84 -3.052 -15.346 4.776 1.00 0.00 C ATOM 1248 CD ARG A 84 -2.016 -16.457 4.583 1.00 0.00 C ATOM 1249 NE ARG A 84 -2.585 -17.759 4.992 1.00 0.00 N ATOM 1250 CZ ARG A 84 -2.502 -18.263 6.241 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -1.870 -17.577 7.216 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -3.049 -19.438 6.495 1.00 0.00 N ATOM 0 H ARG A 84 -6.162 -15.448 1.798 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.423 -14.709 4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.152 -15.418 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.048 -13.796 3.278 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.627 -14.551 5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.914 -15.738 5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.706 -16.499 3.539 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.125 -16.240 5.172 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.071 -18.311 4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.450 -16.670 7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.812 -17.965 8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.525 -19.950 5.752 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.995 -19.833 7.434 1.00 0.00 H new ATOM 1266 N THR A 85 -5.079 -12.245 3.471 1.00 0.00 N ATOM 1267 CA THR A 85 -5.374 -10.902 3.000 1.00 0.00 C ATOM 1268 C THR A 85 -4.198 -9.966 3.293 1.00 0.00 C ATOM 1269 O THR A 85 -4.010 -9.535 4.429 1.00 0.00 O ATOM 1270 CB THR A 85 -6.684 -10.450 3.648 1.00 0.00 C ATOM 1271 OG1 THR A 85 -7.695 -11.045 2.838 1.00 0.00 O ATOM 1272 CG2 THR A 85 -6.924 -8.946 3.499 1.00 0.00 C ATOM 0 H THR A 85 -4.621 -12.288 4.381 1.00 0.00 H new ATOM 0 HA THR A 85 -5.506 -10.882 1.918 1.00 0.00 H new ATOM 0 HB THR A 85 -6.675 -10.712 4.706 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.578 -10.805 3.188 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.867 -8.679 3.976 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.109 -8.399 3.973 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.967 -8.687 2.441 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.437 -9.679 2.246 1.00 0.00 N ATOM 1281 CA TYR A 86 -2.288 -8.802 2.375 1.00 0.00 C ATOM 1282 C TYR A 86 -2.554 -7.445 1.721 1.00 0.00 C ATOM 1283 O TYR A 86 -3.132 -7.378 0.636 1.00 0.00 O ATOM 1284 CB TYR A 86 -1.144 -9.496 1.632 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.464 -10.925 1.189 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.253 -11.143 0.078 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -0.966 -11.997 1.901 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -2.556 -12.488 -0.338 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -1.270 -13.342 1.486 1.00 0.00 C ATOM 1290 CZ TYR A 86 -2.049 -13.521 0.386 1.00 0.00 C ATOM 1291 OH TYR A 86 -2.336 -14.790 -0.006 1.00 0.00 O ATOM 0 H TYR A 86 -3.595 -10.039 1.305 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.059 -8.623 3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.883 -8.905 0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.265 -9.515 2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.643 -10.305 -0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.348 -11.827 2.770 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.172 -12.672 -1.206 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -0.888 -14.189 2.036 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.658 -15.097 -0.644 1.00 0.00 H new ATOM 1301 N THR A 87 -2.123 -6.397 2.408 1.00 0.00 N ATOM 1302 CA THR A 87 -2.309 -5.047 1.908 1.00 0.00 C ATOM 1303 C THR A 87 -1.171 -4.141 2.384 1.00 0.00 C ATOM 1304 O THR A 87 -0.920 -4.032 3.583 1.00 0.00 O ATOM 1305 CB THR A 87 -3.693 -4.565 2.347 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.432 -5.769 2.543 1.00 0.00 O ATOM 1307 CG2 THR A 87 -4.446 -3.846 1.226 1.00 0.00 C ATOM 0 H THR A 87 -1.645 -6.457 3.307 1.00 0.00 H new ATOM 0 HA THR A 87 -2.271 -5.020 0.819 1.00 0.00 H new ATOM 0 HB THR A 87 -3.591 -3.897 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.343 -5.551 2.831 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.422 -3.525 1.591 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.874 -2.976 0.904 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.579 -4.525 0.384 1.00 0.00 H new ATOM 1315 N CYS A 88 -0.513 -3.513 1.420 1.00 0.00 N ATOM 1316 CA CYS A 88 0.590 -2.620 1.725 1.00 0.00 C ATOM 1317 C CYS A 88 0.018 -1.239 2.047 1.00 0.00 C ATOM 1318 O CYS A 88 -0.272 -0.457 1.143 1.00 0.00 O ATOM 1319 CB CYS A 88 1.606 -2.564 0.583 1.00 0.00 C ATOM 1320 SG CYS A 88 1.128 -1.485 -0.815 1.00 0.00 S ATOM 0 H CYS A 88 -0.724 -3.606 0.426 1.00 0.00 H new ATOM 0 HA CYS A 88 1.135 -2.997 2.591 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.560 -2.219 0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.765 -3.574 0.206 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.132 -0.981 3.339 1.00 0.00 N ATOM 1326 CA GLN A 89 -0.666 0.292 3.790 1.00 0.00 C ATOM 1327 C GLN A 89 0.463 1.308 3.970 1.00 0.00 C ATOM 1328 O GLN A 89 1.176 1.280 4.971 1.00 0.00 O ATOM 1329 CB GLN A 89 -1.463 0.123 5.086 1.00 0.00 C ATOM 1330 CG GLN A 89 -2.393 1.315 5.317 1.00 0.00 C ATOM 1331 CD GLN A 89 -2.333 1.784 6.772 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -2.273 0.997 7.703 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -2.352 3.107 6.915 1.00 0.00 N ATOM 0 H GLN A 89 0.107 -1.632 4.087 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.348 0.668 3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.048 -0.796 5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.778 0.023 5.928 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.111 2.134 4.655 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.416 1.037 5.063 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.403 3.708 6.093 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.315 3.520 7.847 1.00 0.00 H new ATOM 1342 N VAL A 90 0.592 2.183 2.982 1.00 0.00 N ATOM 1343 CA VAL A 90 1.622 3.206 3.018 1.00 0.00 C ATOM 1344 C VAL A 90 1.040 4.488 3.618 1.00 0.00 C ATOM 1345 O VAL A 90 0.015 4.984 3.155 1.00 0.00 O ATOM 1346 CB VAL A 90 2.206 3.410 1.619 1.00 0.00 C ATOM 1347 CG1 VAL A 90 2.821 4.804 1.480 1.00 0.00 C ATOM 1348 CG2 VAL A 90 3.230 2.322 1.287 1.00 0.00 C ATOM 0 H VAL A 90 -0.000 2.204 2.152 1.00 0.00 H new ATOM 0 HA VAL A 90 2.448 2.895 3.657 1.00 0.00 H new ATOM 0 HB VAL A 90 1.390 3.331 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.229 4.923 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.054 5.559 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.619 4.924 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.629 2.491 0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.043 2.354 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.748 1.345 1.325 1.00 0.00 H new ATOM 1358 N THR A 91 1.722 4.989 4.637 1.00 0.00 N ATOM 1359 CA THR A 91 1.287 6.204 5.304 1.00 0.00 C ATOM 1360 C THR A 91 2.081 7.407 4.792 1.00 0.00 C ATOM 1361 O THR A 91 3.049 7.246 4.049 1.00 0.00 O ATOM 1362 CB THR A 91 1.417 5.987 6.813 1.00 0.00 C ATOM 1363 OG1 THR A 91 0.128 6.316 7.322 1.00 0.00 O ATOM 1364 CG2 THR A 91 2.349 7.006 7.473 1.00 0.00 C ATOM 0 H THR A 91 2.573 4.575 5.017 1.00 0.00 H new ATOM 0 HA THR A 91 0.243 6.426 5.082 1.00 0.00 H new ATOM 0 HB THR A 91 1.787 4.980 7.005 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.122 6.201 8.295 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.406 6.807 8.543 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.344 6.926 7.036 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.962 8.012 7.311 1.00 0.00 H new ATOM 1372 N TYR A 92 1.642 8.586 5.210 1.00 0.00 N ATOM 1373 CA TYR A 92 2.301 9.816 4.802 1.00 0.00 C ATOM 1374 C TYR A 92 2.230 10.868 5.912 1.00 0.00 C ATOM 1375 O TYR A 92 1.355 10.810 6.773 1.00 0.00 O ATOM 1376 CB TYR A 92 1.528 10.325 3.584 1.00 0.00 C ATOM 1377 CG TYR A 92 1.538 9.363 2.394 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.894 8.144 2.486 1.00 0.00 C ATOM 1379 CD2 TYR A 92 2.191 9.712 1.230 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.904 7.239 1.367 1.00 0.00 C ATOM 1381 CE2 TYR A 92 2.201 8.805 0.111 1.00 0.00 C ATOM 1382 CZ TYR A 92 1.558 7.614 0.233 1.00 0.00 C ATOM 1383 OH TYR A 92 1.567 6.759 -0.824 1.00 0.00 O ATOM 0 H TYR A 92 0.839 8.715 5.826 1.00 0.00 H new ATOM 0 HA TYR A 92 3.353 9.634 4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.495 10.515 3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.952 11.279 3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 92 0.383 7.870 3.397 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.694 10.665 1.158 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.404 6.284 1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.709 9.066 -0.806 1.00 0.00 H new ATOM 0 HH TYR A 92 1.928 7.217 -1.612 1.00 0.00 H new ATOM 1393 N GLN A 93 3.165 11.806 5.854 1.00 0.00 N ATOM 1394 CA GLN A 93 3.221 12.869 6.842 1.00 0.00 C ATOM 1395 C GLN A 93 1.827 13.458 7.067 1.00 0.00 C ATOM 1396 O GLN A 93 1.543 14.000 8.135 1.00 0.00 O ATOM 1397 CB GLN A 93 4.214 13.954 6.423 1.00 0.00 C ATOM 1398 CG GLN A 93 4.027 14.333 4.953 1.00 0.00 C ATOM 1399 CD GLN A 93 3.460 15.747 4.819 1.00 0.00 C ATOM 1400 OE1 GLN A 93 4.143 16.738 5.020 1.00 0.00 O ATOM 1401 NE2 GLN A 93 2.179 15.785 4.465 1.00 0.00 N ATOM 0 H GLN A 93 3.890 11.851 5.138 1.00 0.00 H new ATOM 0 HA GLN A 93 3.571 12.446 7.784 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.079 14.836 7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.233 13.601 6.584 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.983 14.270 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.356 13.621 4.473 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.666 14.917 4.313 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.709 16.683 4.346 1.00 0.00 H new ATOM 1410 N GLY A 94 0.993 13.331 6.045 1.00 0.00 N ATOM 1411 CA GLY A 94 -0.364 13.843 6.118 1.00 0.00 C ATOM 1412 C GLY A 94 -1.273 13.135 5.111 1.00 0.00 C ATOM 1413 O GLY A 94 -2.163 13.752 4.530 1.00 0.00 O ATOM 0 H GLY A 94 1.232 12.881 5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.755 13.704 7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.363 14.915 5.921 1.00 0.00 H new ATOM 1417 N HIS A 95 -1.015 11.847 4.934 1.00 0.00 N ATOM 1418 CA HIS A 95 -1.799 11.047 4.007 1.00 0.00 C ATOM 1419 C HIS A 95 -1.616 9.562 4.331 1.00 0.00 C ATOM 1420 O HIS A 95 -0.775 9.200 5.151 1.00 0.00 O ATOM 1421 CB HIS A 95 -1.441 11.386 2.560 1.00 0.00 C ATOM 1422 CG HIS A 95 -2.573 11.183 1.583 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -2.543 10.218 0.591 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -3.769 11.827 1.457 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -3.675 10.290 -0.096 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -4.432 11.288 0.442 1.00 0.00 N ATOM 0 H HIS A 95 -0.275 11.338 5.416 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.857 11.282 4.122 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.115 12.425 2.511 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -0.595 10.771 2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.117 12.639 2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.949 9.667 -0.935 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -5.356 11.573 0.118 1.00 0.00 H new ATOM 1434 N THR A 96 -2.421 8.744 3.669 1.00 0.00 N ATOM 1435 CA THR A 96 -2.359 7.306 3.875 1.00 0.00 C ATOM 1436 C THR A 96 -3.024 6.571 2.709 1.00 0.00 C ATOM 1437 O THR A 96 -3.798 7.165 1.957 1.00 0.00 O ATOM 1438 CB THR A 96 -2.996 6.995 5.232 1.00 0.00 C ATOM 1439 OG1 THR A 96 -2.554 5.674 5.529 1.00 0.00 O ATOM 1440 CG2 THR A 96 -4.519 6.868 5.149 1.00 0.00 C ATOM 0 H THR A 96 -3.119 9.049 2.990 1.00 0.00 H new ATOM 0 HA THR A 96 -1.328 6.953 3.895 1.00 0.00 H new ATOM 0 HB THR A 96 -2.735 7.779 5.943 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.739 5.716 6.072 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.920 6.647 6.138 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.943 7.804 4.786 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.780 6.062 4.463 1.00 0.00 H new ATOM 1448 N PHE A 97 -2.698 5.293 2.596 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.254 4.471 1.533 1.00 0.00 C ATOM 1450 C PHE A 97 -2.891 2.998 1.733 1.00 0.00 C ATOM 1451 O PHE A 97 -2.020 2.673 2.538 1.00 0.00 O ATOM 1452 CB PHE A 97 -2.641 4.961 0.220 1.00 0.00 C ATOM 1453 CG PHE A 97 -3.358 4.449 -1.030 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -3.124 3.186 -1.479 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -4.228 5.255 -1.694 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -3.789 2.711 -2.640 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -4.893 4.780 -2.855 1.00 0.00 C ATOM 1458 CZ PHE A 97 -4.659 3.518 -3.304 1.00 0.00 C ATOM 0 H PHE A 97 -2.057 4.806 3.222 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.341 4.553 1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.650 6.051 0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.597 4.651 0.180 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.433 2.545 -0.952 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.414 6.258 -1.338 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.604 1.708 -2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.585 5.421 -3.381 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.164 3.157 -4.188 1.00 0.00 H new ATOM 1468 N GLU A 98 -3.577 2.145 0.987 1.00 0.00 N ATOM 1469 CA GLU A 98 -3.338 0.715 1.071 1.00 0.00 C ATOM 1470 C GLU A 98 -3.613 0.049 -0.279 1.00 0.00 C ATOM 1471 O GLU A 98 -4.635 0.317 -0.908 1.00 0.00 O ATOM 1472 CB GLU A 98 -4.185 0.082 2.177 1.00 0.00 C ATOM 1473 CG GLU A 98 -3.516 -1.181 2.724 1.00 0.00 C ATOM 1474 CD GLU A 98 -4.360 -1.810 3.836 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -5.594 -1.850 3.731 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -3.688 -2.267 4.838 1.00 0.00 O ATOM 0 H GLU A 98 -4.299 2.418 0.321 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.290 0.557 1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.331 0.800 2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.173 -0.165 1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.375 -1.901 1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.526 -0.935 3.108 1.00 0.00 H new ATOM 1484 N ASP A 99 -2.684 -0.803 -0.683 1.00 0.00 N ATOM 1485 CA ASP A 99 -2.814 -1.508 -1.947 1.00 0.00 C ATOM 1486 C ASP A 99 -2.076 -2.846 -1.856 1.00 0.00 C ATOM 1487 O ASP A 99 -0.880 -2.882 -1.570 1.00 0.00 O ATOM 1488 CB ASP A 99 -2.196 -0.705 -3.092 1.00 0.00 C ATOM 1489 CG ASP A 99 -1.082 0.257 -2.680 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -1.117 0.847 -1.589 1.00 0.00 O ATOM 1491 OD2 ASP A 99 -0.133 0.395 -3.542 1.00 0.00 O ATOM 0 H ASP A 99 -1.837 -1.022 -0.158 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.876 -1.656 -2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.799 -1.401 -3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.985 -0.135 -3.583 1.00 0.00 H new ATOM 1497 N SER A 100 -2.820 -3.913 -2.107 1.00 0.00 N ATOM 1498 CA SER A 100 -2.252 -5.250 -2.058 1.00 0.00 C ATOM 1499 C SER A 100 -3.235 -6.259 -2.656 1.00 0.00 C ATOM 1500 O SER A 100 -3.992 -5.930 -3.569 1.00 0.00 O ATOM 1501 CB SER A 100 -1.892 -5.644 -0.625 1.00 0.00 C ATOM 1502 OG SER A 100 -1.218 -6.898 -0.569 1.00 0.00 O ATOM 0 H SER A 100 -3.811 -3.879 -2.345 1.00 0.00 H new ATOM 0 HA SER A 100 -1.335 -5.253 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.260 -4.873 -0.185 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.800 -5.693 -0.024 1.00 0.00 H new ATOM 0 HG SER A 100 -0.497 -6.852 0.093 1.00 0.00 H new ATOM 1508 N THR A 101 -3.193 -7.468 -2.117 1.00 0.00 N ATOM 1509 CA THR A 101 -4.071 -8.528 -2.585 1.00 0.00 C ATOM 1510 C THR A 101 -4.703 -9.259 -1.399 1.00 0.00 C ATOM 1511 O THR A 101 -4.405 -8.953 -0.244 1.00 0.00 O ATOM 1512 CB THR A 101 -3.259 -9.444 -3.501 1.00 0.00 C ATOM 1513 OG1 THR A 101 -4.156 -10.506 -3.814 1.00 0.00 O ATOM 1514 CG2 THR A 101 -2.107 -10.134 -2.767 1.00 0.00 C ATOM 0 H THR A 101 -2.565 -7.738 -1.360 1.00 0.00 H new ATOM 0 HA THR A 101 -4.905 -8.126 -3.160 1.00 0.00 H new ATOM 0 HB THR A 101 -2.863 -8.864 -4.335 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.713 -11.366 -3.657 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.563 -10.773 -3.463 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.431 -9.381 -2.361 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.505 -10.741 -1.954 1.00 0.00 H new ATOM 1522 N LYS A 102 -5.566 -10.211 -1.723 1.00 0.00 N ATOM 1523 CA LYS A 102 -6.243 -10.989 -0.699 1.00 0.00 C ATOM 1524 C LYS A 102 -6.939 -12.185 -1.351 1.00 0.00 C ATOM 1525 O LYS A 102 -7.938 -12.022 -2.050 1.00 0.00 O ATOM 1526 CB LYS A 102 -7.184 -10.098 0.116 1.00 0.00 C ATOM 1527 CG LYS A 102 -7.966 -9.150 -0.796 1.00 0.00 C ATOM 1528 CD LYS A 102 -8.485 -7.941 -0.015 1.00 0.00 C ATOM 1529 CE LYS A 102 -9.469 -7.125 -0.855 1.00 0.00 C ATOM 1530 NZ LYS A 102 -9.572 -5.742 -0.337 1.00 0.00 N ATOM 0 H LYS A 102 -5.812 -10.461 -2.681 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.523 -11.389 0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.878 -10.718 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.608 -9.521 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.325 -8.813 -1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.803 -9.682 -1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.974 -8.277 0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.648 -7.311 0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.141 -7.107 -1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.450 -7.599 -0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.244 -5.202 -0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.907 -5.764 0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.638 -5.287 -0.375 1.00 0.00 H new