USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 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 74 SER OG : rot 180:sc= 0.242 USER MOD Set 1.2: A 75 ASN : amide:sc= 0.249 X(o=0.49,f=0) USER MOD Set 2.1: A 31 CYS SG : rot 180:sc= 0.938 USER MOD Set 2.2: A 52 SER OG : rot 118:sc= 0.196 USER MOD Set 2.3: A 54 SER OG : rot -133:sc= -0.653 USER MOD Set 3.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : 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 46 SER OG : rot 180:sc= -1.24 USER MOD Single : A 47 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-3.8!) USER MOD Single : A 64 GLN : amide:sc= -4.82! C(o=-4.8!,f=-5.6!) USER MOD Single : A 69 ASN : amide:sc= -6.55! C(o=-6.6!,f=-7!) USER MOD Single : A 78 HIS : no HD1:sc= -0.495 K(o=-0.49,f=-1.5) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -53:sc= -0.625 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 187 N GLU A 16 -4.802 -5.555 -13.569 1.00 0.00 N ATOM 188 CA GLU A 16 -3.450 -5.212 -13.163 1.00 0.00 C ATOM 189 C GLU A 16 -3.097 -3.799 -13.634 1.00 0.00 C ATOM 190 O GLU A 16 -2.673 -3.608 -14.772 1.00 0.00 O ATOM 191 CB GLU A 16 -2.442 -6.233 -13.693 1.00 0.00 C ATOM 192 CG GLU A 16 -2.317 -7.425 -12.742 1.00 0.00 C ATOM 193 CD GLU A 16 -1.570 -8.582 -13.408 1.00 0.00 C ATOM 194 OE1 GLU A 16 -2.134 -9.140 -14.374 1.00 0.00 O ATOM 195 OE2 GLU A 16 -0.453 -8.883 -12.936 1.00 0.00 O ATOM 0 HA GLU A 16 -3.402 -5.235 -12.074 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.754 -6.580 -14.678 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.469 -5.758 -13.816 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.790 -7.120 -11.838 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.309 -7.756 -12.436 1.00 0.00 H new ATOM 202 N LYS A 17 -3.287 -2.845 -12.733 1.00 0.00 N ATOM 203 CA LYS A 17 -2.994 -1.456 -13.042 1.00 0.00 C ATOM 204 C LYS A 17 -1.904 -0.947 -12.097 1.00 0.00 C ATOM 205 O LYS A 17 -1.835 -1.364 -10.941 1.00 0.00 O ATOM 206 CB LYS A 17 -4.274 -0.619 -13.011 1.00 0.00 C ATOM 207 CG LYS A 17 -4.790 -0.457 -11.579 1.00 0.00 C ATOM 208 CD LYS A 17 -5.688 0.775 -11.456 1.00 0.00 C ATOM 209 CE LYS A 17 -7.100 0.383 -11.017 1.00 0.00 C ATOM 210 NZ LYS A 17 -8.107 1.229 -11.695 1.00 0.00 N ATOM 0 H LYS A 17 -3.640 -3.007 -11.790 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.605 -1.365 -14.056 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.082 0.362 -13.445 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.039 -1.095 -13.625 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.346 -1.348 -11.286 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.948 -0.367 -10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.259 1.471 -10.735 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.732 1.294 -12.413 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.282 -0.666 -11.250 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.194 0.490 -9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.060 0.950 -11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.943 2.227 -11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.027 1.106 -12.725 1.00 0.00 H new ATOM 224 N LYS A 18 -1.079 -0.053 -12.623 1.00 0.00 N ATOM 225 CA LYS A 18 0.004 0.517 -11.840 1.00 0.00 C ATOM 226 C LYS A 18 -0.455 1.844 -11.232 1.00 0.00 C ATOM 227 O LYS A 18 -0.981 2.704 -11.936 1.00 0.00 O ATOM 228 CB LYS A 18 1.272 0.635 -12.688 1.00 0.00 C ATOM 229 CG LYS A 18 2.448 1.137 -11.847 1.00 0.00 C ATOM 230 CD LYS A 18 2.904 2.522 -12.314 1.00 0.00 C ATOM 231 CE LYS A 18 3.947 2.410 -13.428 1.00 0.00 C ATOM 232 NZ LYS A 18 3.563 3.252 -14.583 1.00 0.00 N ATOM 0 H LYS A 18 -1.139 0.290 -13.582 1.00 0.00 H new ATOM 0 HA LYS A 18 0.262 -0.141 -11.010 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.517 -0.335 -13.120 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.096 1.318 -13.519 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.157 1.181 -10.798 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.278 0.434 -11.919 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.045 3.090 -12.671 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.323 3.073 -11.473 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.923 2.719 -13.053 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.041 1.371 -13.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.281 3.165 -15.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.642 2.939 -14.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.496 4.245 -14.282 1.00 0.00 H new ATOM 246 N VAL A 19 -0.239 1.968 -9.931 1.00 0.00 N ATOM 247 CA VAL A 19 -0.625 3.175 -9.220 1.00 0.00 C ATOM 248 C VAL A 19 0.545 3.646 -8.353 1.00 0.00 C ATOM 249 O VAL A 19 0.979 2.933 -7.450 1.00 0.00 O ATOM 250 CB VAL A 19 -1.902 2.925 -8.417 1.00 0.00 C ATOM 251 CG1 VAL A 19 -3.145 3.134 -9.284 1.00 0.00 C ATOM 252 CG2 VAL A 19 -1.894 1.526 -7.797 1.00 0.00 C ATOM 0 H VAL A 19 0.198 1.252 -9.350 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.853 3.976 -9.923 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.935 3.651 -7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.039 2.950 -8.688 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.161 4.159 -9.656 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.121 2.443 -10.126 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.813 1.373 -7.231 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.826 0.778 -8.587 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.037 1.428 -7.130 1.00 0.00 H new ATOM 262 N PHE A 20 1.020 4.845 -8.657 1.00 0.00 N ATOM 263 CA PHE A 20 2.130 5.420 -7.917 1.00 0.00 C ATOM 264 C PHE A 20 1.629 6.349 -6.810 1.00 0.00 C ATOM 265 O PHE A 20 1.060 7.403 -7.089 1.00 0.00 O ATOM 266 CB PHE A 20 2.959 6.233 -8.913 1.00 0.00 C ATOM 267 CG PHE A 20 4.471 6.113 -8.709 1.00 0.00 C ATOM 268 CD1 PHE A 20 5.010 6.323 -7.479 1.00 0.00 C ATOM 269 CD2 PHE A 20 5.275 5.795 -9.759 1.00 0.00 C ATOM 270 CE1 PHE A 20 6.413 6.212 -7.290 1.00 0.00 C ATOM 271 CE2 PHE A 20 6.678 5.684 -9.571 1.00 0.00 C ATOM 272 CZ PHE A 20 7.217 5.894 -8.340 1.00 0.00 C ATOM 0 H PHE A 20 0.656 5.434 -9.406 1.00 0.00 H new ATOM 0 HA PHE A 20 2.716 4.628 -7.451 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.712 5.910 -9.924 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.674 7.282 -8.836 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.371 6.574 -6.645 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.846 5.627 -10.736 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.841 6.380 -6.313 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.317 5.433 -10.405 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.284 5.808 -8.196 1.00 0.00 H new ATOM 282 N ILE A 21 1.857 5.924 -5.576 1.00 0.00 N ATOM 283 CA ILE A 21 1.435 6.705 -4.425 1.00 0.00 C ATOM 284 C ILE A 21 2.614 7.540 -3.921 1.00 0.00 C ATOM 285 O ILE A 21 3.653 6.994 -3.553 1.00 0.00 O ATOM 286 CB ILE A 21 0.823 5.796 -3.357 1.00 0.00 C ATOM 287 CG1 ILE A 21 -0.476 5.161 -3.856 1.00 0.00 C ATOM 288 CG2 ILE A 21 0.623 6.554 -2.042 1.00 0.00 C ATOM 289 CD1 ILE A 21 -1.552 6.223 -4.088 1.00 0.00 C ATOM 0 H ILE A 21 2.329 5.049 -5.348 1.00 0.00 H new ATOM 0 HA ILE A 21 0.647 7.403 -4.706 1.00 0.00 H new ATOM 0 HB ILE A 21 1.522 4.984 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.288 4.620 -4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.831 4.431 -3.128 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.187 5.886 -1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.585 6.918 -1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.046 7.399 -2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.465 5.745 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.755 6.745 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.203 6.937 -4.834 1.00 0.00 H new ATOM 301 N SER A 22 2.413 8.849 -3.921 1.00 0.00 N ATOM 302 CA SER A 22 3.446 9.765 -3.468 1.00 0.00 C ATOM 303 C SER A 22 3.011 10.443 -2.168 1.00 0.00 C ATOM 304 O SER A 22 2.112 11.284 -2.172 1.00 0.00 O ATOM 305 CB SER A 22 3.758 10.815 -4.536 1.00 0.00 C ATOM 306 OG SER A 22 5.008 11.459 -4.303 1.00 0.00 O ATOM 0 H SER A 22 1.550 9.298 -4.228 1.00 0.00 H new ATOM 0 HA SER A 22 4.355 9.192 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.772 10.341 -5.517 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.964 11.561 -4.554 1.00 0.00 H new ATOM 0 HG SER A 22 5.171 12.121 -5.007 1.00 0.00 H new ATOM 312 N LEU A 23 3.668 10.054 -1.085 1.00 0.00 N ATOM 313 CA LEU A 23 3.360 10.614 0.220 1.00 0.00 C ATOM 314 C LEU A 23 3.987 12.005 0.334 1.00 0.00 C ATOM 315 O LEU A 23 4.828 12.241 1.200 1.00 0.00 O ATOM 316 CB LEU A 23 3.790 9.653 1.330 1.00 0.00 C ATOM 317 CG LEU A 23 2.857 8.467 1.589 1.00 0.00 C ATOM 318 CD1 LEU A 23 1.566 8.924 2.271 1.00 0.00 C ATOM 319 CD2 LEU A 23 2.581 7.695 0.297 1.00 0.00 C ATOM 0 H LEU A 23 4.413 9.357 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 23 2.283 10.738 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.779 9.265 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.890 10.220 2.256 1.00 0.00 H new ATOM 0 HG LEU A 23 3.357 7.781 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.921 8.062 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.805 9.395 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.051 9.641 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.916 6.858 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.111 8.358 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.520 7.319 -0.110 1.00 0.00 H new ATOM 415 N GLY A 30 -5.179 8.292 2.545 1.00 0.00 N ATOM 416 CA GLY A 30 -6.453 8.346 3.241 1.00 0.00 C ATOM 417 C GLY A 30 -7.250 7.058 3.027 1.00 0.00 C ATOM 418 O GLY A 30 -8.472 7.049 3.163 1.00 0.00 O ATOM 0 HA2 GLY A 30 -6.283 8.500 4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.031 9.199 2.884 1.00 0.00 H new ATOM 422 N CYS A 31 -6.524 6.000 2.696 1.00 0.00 N ATOM 423 CA CYS A 31 -7.148 4.708 2.462 1.00 0.00 C ATOM 424 C CYS A 31 -6.736 3.764 3.593 1.00 0.00 C ATOM 425 O CYS A 31 -5.818 4.064 4.354 1.00 0.00 O ATOM 426 CB CYS A 31 -6.783 4.145 1.087 1.00 0.00 C ATOM 427 SG CYS A 31 -4.969 3.949 0.952 1.00 0.00 S ATOM 0 H CYS A 31 -5.510 6.011 2.584 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.232 4.819 2.460 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.273 3.183 0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.144 4.812 0.304 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.670 3.468 -0.218 1.00 0.00 H new ATOM 433 N SER A 32 -7.437 2.642 3.668 1.00 0.00 N ATOM 434 CA SER A 32 -7.156 1.651 4.694 1.00 0.00 C ATOM 435 C SER A 32 -6.887 0.291 4.048 1.00 0.00 C ATOM 436 O SER A 32 -7.533 -0.072 3.066 1.00 0.00 O ATOM 437 CB SER A 32 -8.312 1.547 5.691 1.00 0.00 C ATOM 438 OG SER A 32 -7.869 1.691 7.038 1.00 0.00 O ATOM 0 H SER A 32 -8.199 2.397 3.035 1.00 0.00 H new ATOM 0 HA SER A 32 -6.268 1.968 5.241 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.053 2.315 5.469 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.807 0.583 5.573 1.00 0.00 H new ATOM 0 HG SER A 32 -8.636 1.620 7.644 1.00 0.00 H new ATOM 444 N ILE A 33 -5.935 -0.426 4.627 1.00 0.00 N ATOM 445 CA ILE A 33 -5.574 -1.739 4.120 1.00 0.00 C ATOM 446 C ILE A 33 -5.884 -2.794 5.183 1.00 0.00 C ATOM 447 O ILE A 33 -5.818 -2.514 6.379 1.00 0.00 O ATOM 448 CB ILE A 33 -4.118 -1.749 3.649 1.00 0.00 C ATOM 449 CG1 ILE A 33 -3.164 -1.453 4.808 1.00 0.00 C ATOM 450 CG2 ILE A 33 -3.914 -0.787 2.477 1.00 0.00 C ATOM 451 CD1 ILE A 33 -1.821 -2.157 4.607 1.00 0.00 C ATOM 0 H ILE A 33 -5.403 -0.122 5.442 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.171 -1.986 3.242 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.883 -2.750 3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.006 -0.377 4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.613 -1.780 5.746 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.871 -0.814 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.552 -1.086 1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.174 0.225 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.162 -1.930 5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.979 -3.234 4.552 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.363 -1.810 3.681 1.00 0.00 H new ATOM 463 N SER A 34 -6.215 -3.986 4.709 1.00 0.00 N ATOM 464 CA SER A 34 -6.535 -5.085 5.604 1.00 0.00 C ATOM 465 C SER A 34 -5.892 -6.377 5.097 1.00 0.00 C ATOM 466 O SER A 34 -5.383 -6.424 3.978 1.00 0.00 O ATOM 467 CB SER A 34 -8.049 -5.263 5.738 1.00 0.00 C ATOM 468 OG SER A 34 -8.429 -5.615 7.066 1.00 0.00 O ATOM 0 H SER A 34 -6.269 -4.215 3.716 1.00 0.00 H new ATOM 0 HA SER A 34 -6.135 -4.850 6.590 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.550 -4.339 5.450 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.386 -6.036 5.047 1.00 0.00 H new ATOM 0 HG SER A 34 -9.403 -5.718 7.111 1.00 0.00 H new ATOM 474 N SER A 35 -5.937 -7.395 5.944 1.00 0.00 N ATOM 475 CA SER A 35 -5.365 -8.685 5.596 1.00 0.00 C ATOM 476 C SER A 35 -6.441 -9.587 4.988 1.00 0.00 C ATOM 477 O SER A 35 -7.596 -9.553 5.411 1.00 0.00 O ATOM 478 CB SER A 35 -4.737 -9.357 6.818 1.00 0.00 C ATOM 479 OG SER A 35 -5.720 -9.792 7.753 1.00 0.00 O ATOM 0 H SER A 35 -6.361 -7.353 6.871 1.00 0.00 H new ATOM 0 HA SER A 35 -4.577 -8.523 4.860 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.141 -10.211 6.496 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.057 -8.659 7.306 1.00 0.00 H new ATOM 0 HG SER A 35 -5.279 -10.217 8.518 1.00 0.00 H new ATOM 485 N GLY A 36 -6.024 -10.373 4.007 1.00 0.00 N ATOM 486 CA GLY A 36 -6.937 -11.283 3.337 1.00 0.00 C ATOM 487 C GLY A 36 -6.883 -12.676 3.967 1.00 0.00 C ATOM 488 O GLY A 36 -5.961 -12.986 4.719 1.00 0.00 O ATOM 0 H GLY A 36 -5.065 -10.399 3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.953 -10.893 3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.681 -11.348 2.280 1.00 0.00 H new ATOM 492 N PRO A 37 -7.911 -13.500 3.628 1.00 0.00 N ATOM 493 CA PRO A 37 -7.989 -14.853 4.152 1.00 0.00 C ATOM 494 C PRO A 37 -6.979 -15.769 3.458 1.00 0.00 C ATOM 495 O PRO A 37 -6.106 -15.299 2.730 1.00 0.00 O ATOM 496 CB PRO A 37 -9.430 -15.280 3.926 1.00 0.00 C ATOM 497 CG PRO A 37 -9.984 -14.335 2.872 1.00 0.00 C ATOM 498 CD PRO A 37 -9.020 -13.168 2.740 1.00 0.00 C ATOM 0 HA PRO A 37 -7.732 -14.910 5.210 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.482 -16.315 3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.006 -15.216 4.849 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.093 -14.850 1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.974 -13.982 3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.681 -13.049 1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.492 -12.230 3.030 1.00 0.00 H new ATOM 506 N ILE A 38 -7.131 -17.062 3.708 1.00 0.00 N ATOM 507 CA ILE A 38 -6.243 -18.048 3.116 1.00 0.00 C ATOM 508 C ILE A 38 -6.603 -18.232 1.640 1.00 0.00 C ATOM 509 O ILE A 38 -5.739 -18.538 0.820 1.00 0.00 O ATOM 510 CB ILE A 38 -6.273 -19.348 3.923 1.00 0.00 C ATOM 511 CG1 ILE A 38 -5.431 -20.432 3.247 1.00 0.00 C ATOM 512 CG2 ILE A 38 -7.711 -19.809 4.168 1.00 0.00 C ATOM 513 CD1 ILE A 38 -4.073 -20.581 3.936 1.00 0.00 C ATOM 0 H ILE A 38 -7.856 -17.449 4.312 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.210 -17.701 3.151 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.827 -19.155 4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.964 -21.382 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.284 -20.181 2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.703 -20.735 4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.250 -19.041 4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.206 -19.980 3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.495 -21.358 3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.533 -19.636 3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.223 -20.856 4.980 1.00 0.00 H new ATOM 525 N GLN A 39 -7.881 -18.037 1.347 1.00 0.00 N ATOM 526 CA GLN A 39 -8.365 -18.178 -0.015 1.00 0.00 C ATOM 527 C GLN A 39 -8.019 -16.932 -0.833 1.00 0.00 C ATOM 528 O GLN A 39 -7.839 -17.012 -2.047 1.00 0.00 O ATOM 529 CB GLN A 39 -9.871 -18.446 -0.036 1.00 0.00 C ATOM 530 CG GLN A 39 -10.652 -17.234 0.475 1.00 0.00 C ATOM 531 CD GLN A 39 -12.083 -17.622 0.853 1.00 0.00 C ATOM 532 OE1 GLN A 39 -12.912 -17.930 0.012 1.00 0.00 O ATOM 533 NE2 GLN A 39 -12.325 -17.590 2.160 1.00 0.00 N ATOM 0 H GLN A 39 -8.595 -17.783 2.030 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.870 -19.036 -0.469 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.187 -18.685 -1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.098 -19.315 0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.146 -16.810 1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.672 -16.460 -0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.585 -17.323 2.809 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.251 -17.832 2.513 1.00 0.00 H new ATOM 542 N LYS A 40 -7.936 -15.809 -0.135 1.00 0.00 N ATOM 543 CA LYS A 40 -7.615 -14.548 -0.781 1.00 0.00 C ATOM 544 C LYS A 40 -6.597 -13.788 0.072 1.00 0.00 C ATOM 545 O LYS A 40 -6.878 -12.689 0.548 1.00 0.00 O ATOM 546 CB LYS A 40 -8.890 -13.754 -1.071 1.00 0.00 C ATOM 547 CG LYS A 40 -8.599 -12.564 -1.988 1.00 0.00 C ATOM 548 CD LYS A 40 -9.766 -12.311 -2.945 1.00 0.00 C ATOM 549 CE LYS A 40 -9.365 -12.611 -4.390 1.00 0.00 C ATOM 550 NZ LYS A 40 -10.466 -13.299 -5.101 1.00 0.00 N ATOM 0 H LYS A 40 -8.086 -15.746 0.872 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.150 -14.724 -1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.630 -14.405 -1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.322 -13.399 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.417 -11.673 -1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.690 -12.754 -2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.614 -12.934 -2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.091 -11.274 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.116 -11.683 -4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.470 -13.233 -4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.177 -13.495 -6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.685 -14.194 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.310 -12.692 -5.104 1.00 0.00 H new ATOM 564 N PRO A 41 -5.405 -14.419 0.243 1.00 0.00 N ATOM 565 CA PRO A 41 -4.344 -13.814 1.031 1.00 0.00 C ATOM 566 C PRO A 41 -3.670 -12.677 0.260 1.00 0.00 C ATOM 567 O PRO A 41 -3.528 -12.747 -0.959 1.00 0.00 O ATOM 568 CB PRO A 41 -3.395 -14.956 1.355 1.00 0.00 C ATOM 569 CG PRO A 41 -3.709 -16.057 0.355 1.00 0.00 C ATOM 570 CD PRO A 41 -5.037 -15.721 -0.305 1.00 0.00 C ATOM 0 HA PRO A 41 -4.712 -13.348 1.945 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.356 -14.636 1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.539 -15.305 2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.919 -16.131 -0.392 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.765 -17.023 0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.941 -15.681 -1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.793 -16.473 -0.079 1.00 0.00 H new ATOM 578 N GLY A 42 -3.273 -11.655 1.005 1.00 0.00 N ATOM 579 CA GLY A 42 -2.617 -10.505 0.407 1.00 0.00 C ATOM 580 C GLY A 42 -3.050 -9.208 1.095 1.00 0.00 C ATOM 581 O GLY A 42 -3.503 -9.229 2.238 1.00 0.00 O ATOM 0 H GLY A 42 -3.393 -11.600 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.536 -10.618 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.858 -10.456 -0.655 1.00 0.00 H new ATOM 585 N ILE A 43 -2.896 -8.111 0.369 1.00 0.00 N ATOM 586 CA ILE A 43 -3.265 -6.808 0.895 1.00 0.00 C ATOM 587 C ILE A 43 -4.391 -6.219 0.043 1.00 0.00 C ATOM 588 O ILE A 43 -4.265 -6.119 -1.176 1.00 0.00 O ATOM 589 CB ILE A 43 -2.035 -5.903 0.998 1.00 0.00 C ATOM 590 CG1 ILE A 43 -0.944 -6.556 1.849 1.00 0.00 C ATOM 591 CG2 ILE A 43 -2.417 -4.516 1.520 1.00 0.00 C ATOM 592 CD1 ILE A 43 -1.336 -6.568 3.328 1.00 0.00 C ATOM 0 H ILE A 43 -2.521 -8.098 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.649 -6.903 1.911 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.625 -5.768 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.772 -7.576 1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.006 -6.015 1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.525 -3.893 1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.133 -4.056 0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.865 -4.610 2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.543 -7.037 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.483 -5.545 3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.261 -7.130 3.455 1.00 0.00 H new ATOM 604 N PHE A 44 -5.468 -5.845 0.719 1.00 0.00 N ATOM 605 CA PHE A 44 -6.616 -5.269 0.039 1.00 0.00 C ATOM 606 C PHE A 44 -7.117 -4.022 0.770 1.00 0.00 C ATOM 607 O PHE A 44 -7.167 -3.996 1.999 1.00 0.00 O ATOM 608 CB PHE A 44 -7.719 -6.329 0.049 1.00 0.00 C ATOM 609 CG PHE A 44 -7.243 -7.726 -0.354 1.00 0.00 C ATOM 610 CD1 PHE A 44 -6.394 -8.415 0.454 1.00 0.00 C ATOM 611 CD2 PHE A 44 -7.669 -8.279 -1.521 1.00 0.00 C ATOM 612 CE1 PHE A 44 -5.952 -9.711 0.081 1.00 0.00 C ATOM 613 CE2 PHE A 44 -7.228 -9.576 -1.895 1.00 0.00 C ATOM 614 CZ PHE A 44 -6.379 -10.265 -1.087 1.00 0.00 C ATOM 0 H PHE A 44 -5.570 -5.930 1.730 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.341 -4.977 -0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.152 -6.378 1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.514 -6.018 -0.629 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.056 -7.976 1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.343 -7.732 -2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.277 -10.257 0.723 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.567 -10.015 -2.822 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.043 -11.251 -1.372 1.00 0.00 H new ATOM 624 N ILE A 45 -7.475 -3.018 -0.016 1.00 0.00 N ATOM 625 CA ILE A 45 -7.971 -1.770 0.541 1.00 0.00 C ATOM 626 C ILE A 45 -9.333 -2.014 1.193 1.00 0.00 C ATOM 627 O ILE A 45 -10.145 -2.779 0.675 1.00 0.00 O ATOM 628 CB ILE A 45 -7.987 -0.676 -0.528 1.00 0.00 C ATOM 629 CG1 ILE A 45 -6.581 -0.121 -0.767 1.00 0.00 C ATOM 630 CG2 ILE A 45 -8.984 0.427 -0.168 1.00 0.00 C ATOM 631 CD1 ILE A 45 -6.611 1.039 -1.764 1.00 0.00 C ATOM 0 H ILE A 45 -7.432 -3.043 -1.035 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.303 -1.409 1.323 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.321 -1.120 -1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.155 0.217 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.933 -0.912 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.976 1.192 -0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.984 0.001 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.703 0.874 0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.599 1.415 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.015 0.691 -2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.240 1.839 -1.373 1.00 0.00 H new ATOM 643 N SER A 46 -9.541 -1.348 2.319 1.00 0.00 N ATOM 644 CA SER A 46 -10.792 -1.483 3.048 1.00 0.00 C ATOM 645 C SER A 46 -11.666 -0.249 2.818 1.00 0.00 C ATOM 646 O SER A 46 -12.887 -0.360 2.712 1.00 0.00 O ATOM 647 CB SER A 46 -10.539 -1.683 4.543 1.00 0.00 C ATOM 648 OG SER A 46 -10.705 -0.475 5.279 1.00 0.00 O ATOM 0 H SER A 46 -8.865 -0.714 2.745 1.00 0.00 H new ATOM 0 HA SER A 46 -11.313 -2.365 2.674 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.223 -2.439 4.928 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.528 -2.062 4.692 1.00 0.00 H new ATOM 0 HG SER A 46 -10.536 -0.645 6.229 1.00 0.00 H new ATOM 654 N HIS A 47 -11.008 0.899 2.747 1.00 0.00 N ATOM 655 CA HIS A 47 -11.711 2.152 2.532 1.00 0.00 C ATOM 656 C HIS A 47 -10.771 3.159 1.865 1.00 0.00 C ATOM 657 O HIS A 47 -9.555 2.976 1.869 1.00 0.00 O ATOM 658 CB HIS A 47 -12.306 2.674 3.841 1.00 0.00 C ATOM 659 CG HIS A 47 -13.213 3.869 3.671 1.00 0.00 C ATOM 660 ND1 HIS A 47 -12.733 5.151 3.465 1.00 0.00 N ATOM 661 CD2 HIS A 47 -14.573 3.963 3.676 1.00 0.00 C ATOM 662 CE1 HIS A 47 -13.767 5.972 3.355 1.00 0.00 C ATOM 663 NE2 HIS A 47 -14.907 5.234 3.486 1.00 0.00 N ATOM 0 H HIS A 47 -9.996 0.987 2.835 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.552 1.990 1.858 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.867 1.871 4.319 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.493 2.941 4.516 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.262 3.143 3.812 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.716 7.038 3.191 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.859 5.598 3.445 1.00 0.00 H new ATOM 671 N VAL A 48 -11.371 4.202 1.309 1.00 0.00 N ATOM 672 CA VAL A 48 -10.603 5.238 0.640 1.00 0.00 C ATOM 673 C VAL A 48 -11.273 6.593 0.872 1.00 0.00 C ATOM 674 O VAL A 48 -12.457 6.763 0.583 1.00 0.00 O ATOM 675 CB VAL A 48 -10.443 4.896 -0.843 1.00 0.00 C ATOM 676 CG1 VAL A 48 -9.867 6.082 -1.620 1.00 0.00 C ATOM 677 CG2 VAL A 48 -9.579 3.647 -1.028 1.00 0.00 C ATOM 0 H VAL A 48 -12.380 4.351 1.308 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.597 5.297 1.056 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.433 4.681 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.763 5.813 -2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.537 6.937 -1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.890 6.343 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.481 3.426 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.591 3.821 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.048 2.802 -0.524 1.00 0.00 H new ATOM 730 N SER A 52 -8.242 11.575 -1.491 1.00 0.00 N ATOM 731 CA SER A 52 -7.071 11.079 -0.788 1.00 0.00 C ATOM 732 C SER A 52 -5.925 10.851 -1.777 1.00 0.00 C ATOM 733 O SER A 52 -6.040 11.188 -2.954 1.00 0.00 O ATOM 734 CB SER A 52 -7.388 9.785 -0.036 1.00 0.00 C ATOM 735 OG SER A 52 -7.994 8.811 -0.881 1.00 0.00 O ATOM 0 HA SER A 52 -6.768 11.828 -0.056 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.470 9.377 0.387 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.053 10.005 0.799 1.00 0.00 H new ATOM 0 HG SER A 52 -7.421 8.017 -0.929 1.00 0.00 H new ATOM 741 N LEU A 53 -4.847 10.280 -1.261 1.00 0.00 N ATOM 742 CA LEU A 53 -3.681 10.004 -2.084 1.00 0.00 C ATOM 743 C LEU A 53 -3.954 8.772 -2.950 1.00 0.00 C ATOM 744 O LEU A 53 -3.268 8.545 -3.945 1.00 0.00 O ATOM 745 CB LEU A 53 -2.429 9.879 -1.214 1.00 0.00 C ATOM 746 CG LEU A 53 -1.153 10.504 -1.781 1.00 0.00 C ATOM 747 CD1 LEU A 53 0.057 10.169 -0.907 1.00 0.00 C ATOM 748 CD2 LEU A 53 -0.939 10.088 -3.238 1.00 0.00 C ATOM 0 H LEU A 53 -4.756 10.001 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.488 10.835 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.636 10.337 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.242 8.821 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.270 11.588 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.951 10.625 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.103 10.555 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.187 9.088 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.025 10.546 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.853 9.003 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.786 10.418 -3.839 1.00 0.00 H new ATOM 760 N SER A 54 -4.957 8.010 -2.539 1.00 0.00 N ATOM 761 CA SER A 54 -5.329 6.807 -3.264 1.00 0.00 C ATOM 762 C SER A 54 -6.464 7.116 -4.243 1.00 0.00 C ATOM 763 O SER A 54 -6.530 6.536 -5.325 1.00 0.00 O ATOM 764 CB SER A 54 -5.745 5.691 -2.304 1.00 0.00 C ATOM 765 OG SER A 54 -6.065 6.192 -1.009 1.00 0.00 O ATOM 0 H SER A 54 -5.524 8.202 -1.713 1.00 0.00 H new ATOM 0 HA SER A 54 -4.459 6.462 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.608 5.165 -2.712 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.937 4.964 -2.222 1.00 0.00 H new ATOM 0 HG SER A 54 -5.625 5.642 -0.328 1.00 0.00 H new ATOM 771 N ALA A 55 -7.329 8.029 -3.826 1.00 0.00 N ATOM 772 CA ALA A 55 -8.457 8.422 -4.652 1.00 0.00 C ATOM 773 C ALA A 55 -7.952 9.239 -5.843 1.00 0.00 C ATOM 774 O ALA A 55 -8.481 9.125 -6.948 1.00 0.00 O ATOM 775 CB ALA A 55 -9.468 9.195 -3.802 1.00 0.00 C ATOM 0 H ALA A 55 -7.271 8.508 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.967 7.544 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.315 9.490 -4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.818 8.561 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.992 10.085 -3.390 1.00 0.00 H new ATOM 781 N GLU A 56 -6.935 10.045 -5.578 1.00 0.00 N ATOM 782 CA GLU A 56 -6.352 10.881 -6.614 1.00 0.00 C ATOM 783 C GLU A 56 -5.875 10.020 -7.785 1.00 0.00 C ATOM 784 O GLU A 56 -5.901 10.458 -8.934 1.00 0.00 O ATOM 785 CB GLU A 56 -5.209 11.730 -6.055 1.00 0.00 C ATOM 786 CG GLU A 56 -4.086 10.846 -5.509 1.00 0.00 C ATOM 787 CD GLU A 56 -2.744 11.580 -5.545 1.00 0.00 C ATOM 788 OE1 GLU A 56 -2.708 12.721 -5.036 1.00 0.00 O ATOM 789 OE2 GLU A 56 -1.785 10.984 -6.080 1.00 0.00 O ATOM 0 H GLU A 56 -6.499 10.137 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.121 11.562 -6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.817 12.380 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.585 12.377 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.316 10.551 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.020 9.931 -6.097 1.00 0.00 H new ATOM 796 N VAL A 57 -5.449 8.810 -7.453 1.00 0.00 N ATOM 797 CA VAL A 57 -4.966 7.883 -8.462 1.00 0.00 C ATOM 798 C VAL A 57 -6.148 7.099 -9.036 1.00 0.00 C ATOM 799 O VAL A 57 -6.092 6.626 -10.170 1.00 0.00 O ATOM 800 CB VAL A 57 -3.882 6.981 -7.869 1.00 0.00 C ATOM 801 CG1 VAL A 57 -2.774 7.812 -7.218 1.00 0.00 C ATOM 802 CG2 VAL A 57 -4.480 5.988 -6.871 1.00 0.00 C ATOM 0 H VAL A 57 -5.428 8.450 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.503 8.424 -9.287 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.438 6.410 -8.684 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.016 7.147 -6.804 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.318 8.461 -7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.197 8.421 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.688 5.359 -6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.963 6.533 -6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.216 5.363 -7.376 1.00 0.00 H new ATOM 812 N GLY A 58 -7.190 6.985 -8.225 1.00 0.00 N ATOM 813 CA GLY A 58 -8.384 6.266 -8.638 1.00 0.00 C ATOM 814 C GLY A 58 -8.438 4.879 -7.995 1.00 0.00 C ATOM 815 O GLY A 58 -8.789 3.900 -8.652 1.00 0.00 O ATOM 0 H GLY A 58 -7.232 7.378 -7.285 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.271 6.835 -8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.397 6.168 -9.724 1.00 0.00 H new ATOM 819 N LEU A 59 -8.084 4.839 -6.719 1.00 0.00 N ATOM 820 CA LEU A 59 -8.088 3.588 -5.980 1.00 0.00 C ATOM 821 C LEU A 59 -9.434 3.423 -5.271 1.00 0.00 C ATOM 822 O LEU A 59 -9.987 4.390 -4.749 1.00 0.00 O ATOM 823 CB LEU A 59 -6.884 3.518 -5.038 1.00 0.00 C ATOM 824 CG LEU A 59 -5.559 3.093 -5.674 1.00 0.00 C ATOM 825 CD1 LEU A 59 -4.410 3.199 -4.670 1.00 0.00 C ATOM 826 CD2 LEU A 59 -5.665 1.692 -6.279 1.00 0.00 C ATOM 0 H LEU A 59 -7.792 5.653 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.980 2.744 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.747 4.498 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.118 2.821 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.337 3.780 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.480 2.891 -5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.319 4.230 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.611 2.551 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.710 1.415 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.922 0.977 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.439 1.685 -7.047 1.00 0.00 H new ATOM 838 N GLU A 60 -9.922 2.192 -5.275 1.00 0.00 N ATOM 839 CA GLU A 60 -11.193 1.888 -4.638 1.00 0.00 C ATOM 840 C GLU A 60 -11.080 0.605 -3.813 1.00 0.00 C ATOM 841 O GLU A 60 -10.055 -0.075 -3.852 1.00 0.00 O ATOM 842 CB GLU A 60 -12.312 1.777 -5.675 1.00 0.00 C ATOM 843 CG GLU A 60 -12.455 3.076 -6.470 1.00 0.00 C ATOM 844 CD GLU A 60 -13.894 3.269 -6.951 1.00 0.00 C ATOM 845 OE1 GLU A 60 -14.717 3.708 -6.119 1.00 0.00 O ATOM 846 OE2 GLU A 60 -14.139 2.974 -8.141 1.00 0.00 O ATOM 0 H GLU A 60 -9.461 1.393 -5.709 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.446 2.707 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.101 0.952 -6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.253 1.547 -5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.159 3.921 -5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.781 3.059 -7.326 1.00 0.00 H new ATOM 853 N ILE A 61 -12.147 0.311 -3.085 1.00 0.00 N ATOM 854 CA ILE A 61 -12.181 -0.878 -2.251 1.00 0.00 C ATOM 855 C ILE A 61 -12.102 -2.121 -3.141 1.00 0.00 C ATOM 856 O ILE A 61 -12.896 -2.276 -4.068 1.00 0.00 O ATOM 857 CB ILE A 61 -13.405 -0.855 -1.333 1.00 0.00 C ATOM 858 CG1 ILE A 61 -13.270 0.234 -0.268 1.00 0.00 C ATOM 859 CG2 ILE A 61 -13.653 -2.233 -0.716 1.00 0.00 C ATOM 860 CD1 ILE A 61 -14.641 0.647 0.270 1.00 0.00 C ATOM 0 H ILE A 61 -12.995 0.876 -3.056 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.316 -0.904 -1.588 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.280 -0.610 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.648 -0.128 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -12.765 1.102 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.528 -2.189 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.824 -2.961 -1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.783 -2.532 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.517 1.423 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -15.252 1.031 -0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.133 -0.218 0.715 1.00 0.00 H new ATOM 872 N GLY A 62 -11.139 -2.974 -2.827 1.00 0.00 N ATOM 873 CA GLY A 62 -10.946 -4.198 -3.586 1.00 0.00 C ATOM 874 C GLY A 62 -9.533 -4.267 -4.167 1.00 0.00 C ATOM 875 O GLY A 62 -8.944 -5.343 -4.253 1.00 0.00 O ATOM 0 H GLY A 62 -10.483 -2.842 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.121 -5.060 -2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.677 -4.249 -4.393 1.00 0.00 H new ATOM 879 N ASP A 63 -9.029 -3.103 -4.552 1.00 0.00 N ATOM 880 CA ASP A 63 -7.695 -3.017 -5.123 1.00 0.00 C ATOM 881 C ASP A 63 -6.709 -3.757 -4.217 1.00 0.00 C ATOM 882 O ASP A 63 -6.221 -3.196 -3.237 1.00 0.00 O ATOM 883 CB ASP A 63 -7.236 -1.562 -5.234 1.00 0.00 C ATOM 884 CG ASP A 63 -8.100 -0.678 -6.135 1.00 0.00 C ATOM 885 OD1 ASP A 63 -8.692 -1.240 -7.082 1.00 0.00 O ATOM 886 OD2 ASP A 63 -8.150 0.540 -5.856 1.00 0.00 O ATOM 0 H ASP A 63 -9.520 -2.212 -4.480 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.724 -3.462 -6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.215 -1.126 -4.235 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.213 -1.547 -5.609 1.00 0.00 H new ATOM 891 N GLN A 64 -6.445 -5.004 -4.577 1.00 0.00 N ATOM 892 CA GLN A 64 -5.525 -5.826 -3.809 1.00 0.00 C ATOM 893 C GLN A 64 -4.081 -5.535 -4.222 1.00 0.00 C ATOM 894 O GLN A 64 -3.702 -5.760 -5.370 1.00 0.00 O ATOM 895 CB GLN A 64 -5.852 -7.312 -3.970 1.00 0.00 C ATOM 896 CG GLN A 64 -4.815 -8.182 -3.258 1.00 0.00 C ATOM 897 CD GLN A 64 -4.926 -9.642 -3.702 1.00 0.00 C ATOM 898 OE1 GLN A 64 -5.772 -10.013 -4.499 1.00 0.00 O ATOM 899 NE2 GLN A 64 -4.027 -10.448 -3.143 1.00 0.00 N ATOM 0 H GLN A 64 -6.852 -5.466 -5.390 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.638 -5.575 -2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.843 -7.516 -3.564 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.882 -7.569 -5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.814 -7.808 -3.471 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.957 -8.114 -2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.346 -10.073 -2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.019 -11.441 -3.375 1.00 0.00 H new ATOM 908 N ILE A 65 -3.314 -5.038 -3.262 1.00 0.00 N ATOM 909 CA ILE A 65 -1.920 -4.713 -3.511 1.00 0.00 C ATOM 910 C ILE A 65 -1.121 -6.007 -3.675 1.00 0.00 C ATOM 911 O ILE A 65 -0.867 -6.711 -2.699 1.00 0.00 O ATOM 912 CB ILE A 65 -1.381 -3.791 -2.416 1.00 0.00 C ATOM 913 CG1 ILE A 65 -2.269 -2.556 -2.252 1.00 0.00 C ATOM 914 CG2 ILE A 65 0.078 -3.416 -2.685 1.00 0.00 C ATOM 915 CD1 ILE A 65 -1.977 -1.842 -0.931 1.00 0.00 C ATOM 0 H ILE A 65 -3.632 -4.853 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.819 -4.156 -4.442 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.406 -4.333 -1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.103 -1.871 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.318 -2.851 -2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.437 -2.760 -1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.687 -4.320 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.151 -2.901 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.622 -0.968 -0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.167 -2.522 -0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.934 -1.527 -0.911 1.00 0.00 H new ATOM 927 N VAL A 66 -0.747 -6.282 -4.916 1.00 0.00 N ATOM 928 CA VAL A 66 0.019 -7.479 -5.219 1.00 0.00 C ATOM 929 C VAL A 66 1.509 -7.133 -5.245 1.00 0.00 C ATOM 930 O VAL A 66 2.355 -8.006 -5.054 1.00 0.00 O ATOM 931 CB VAL A 66 -0.474 -8.097 -6.529 1.00 0.00 C ATOM 932 CG1 VAL A 66 -1.984 -8.342 -6.486 1.00 0.00 C ATOM 933 CG2 VAL A 66 -0.095 -7.221 -7.725 1.00 0.00 C ATOM 0 H VAL A 66 -0.960 -5.696 -5.723 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.126 -8.232 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 66 0.019 -9.062 -6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.308 -8.782 -7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.219 -9.023 -5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.502 -7.396 -6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.457 -7.683 -8.644 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.547 -6.235 -7.612 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.989 -7.120 -7.773 1.00 0.00 H new ATOM 943 N GLU A 67 1.785 -5.859 -5.482 1.00 0.00 N ATOM 944 CA GLU A 67 3.158 -5.388 -5.534 1.00 0.00 C ATOM 945 C GLU A 67 3.230 -3.916 -5.125 1.00 0.00 C ATOM 946 O GLU A 67 2.243 -3.190 -5.229 1.00 0.00 O ATOM 947 CB GLU A 67 3.757 -5.600 -6.926 1.00 0.00 C ATOM 948 CG GLU A 67 5.107 -4.891 -7.056 1.00 0.00 C ATOM 949 CD GLU A 67 5.704 -5.099 -8.449 1.00 0.00 C ATOM 950 OE1 GLU A 67 5.229 -4.412 -9.378 1.00 0.00 O ATOM 951 OE2 GLU A 67 6.622 -5.941 -8.553 1.00 0.00 O ATOM 0 H GLU A 67 1.081 -5.138 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 67 3.749 -5.970 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.883 -6.666 -7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.070 -5.222 -7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.982 -3.825 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.795 -5.271 -6.301 1.00 0.00 H new ATOM 958 N VAL A 68 4.408 -3.519 -4.667 1.00 0.00 N ATOM 959 CA VAL A 68 4.622 -2.146 -4.241 1.00 0.00 C ATOM 960 C VAL A 68 6.095 -1.780 -4.433 1.00 0.00 C ATOM 961 O VAL A 68 6.976 -2.410 -3.850 1.00 0.00 O ATOM 962 CB VAL A 68 4.144 -1.965 -2.799 1.00 0.00 C ATOM 963 CG1 VAL A 68 4.491 -0.569 -2.277 1.00 0.00 C ATOM 964 CG2 VAL A 68 2.644 -2.238 -2.680 1.00 0.00 C ATOM 0 H VAL A 68 5.225 -4.124 -4.581 1.00 0.00 H new ATOM 0 HA VAL A 68 4.035 -1.461 -4.852 1.00 0.00 H new ATOM 0 HB VAL A 68 4.667 -2.693 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.140 -0.467 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.571 -0.427 -2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.009 0.183 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.330 -2.102 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.096 -1.545 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.435 -3.261 -2.991 1.00 0.00 H new ATOM 974 N ASN A 69 6.318 -0.764 -5.253 1.00 0.00 N ATOM 975 CA ASN A 69 7.669 -0.307 -5.530 1.00 0.00 C ATOM 976 C ASN A 69 8.528 -1.499 -5.958 1.00 0.00 C ATOM 977 O ASN A 69 9.750 -1.466 -5.826 1.00 0.00 O ATOM 978 CB ASN A 69 8.306 0.312 -4.284 1.00 0.00 C ATOM 979 CG ASN A 69 8.821 1.723 -4.575 1.00 0.00 C ATOM 980 OD1 ASN A 69 8.828 2.189 -5.703 1.00 0.00 O ATOM 981 ND2 ASN A 69 9.249 2.375 -3.498 1.00 0.00 N ATOM 0 H ASN A 69 5.585 -0.244 -5.735 1.00 0.00 H new ATOM 0 HA ASN A 69 7.617 0.443 -6.319 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.575 0.347 -3.477 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.129 -0.316 -3.942 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.611 3.324 -3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.215 1.926 -2.583 1.00 0.00 H new ATOM 988 N GLY A 70 7.854 -2.522 -6.463 1.00 0.00 N ATOM 989 CA GLY A 70 8.541 -3.721 -6.912 1.00 0.00 C ATOM 990 C GLY A 70 8.696 -4.724 -5.767 1.00 0.00 C ATOM 991 O GLY A 70 9.560 -5.599 -5.816 1.00 0.00 O ATOM 0 H GLY A 70 6.840 -2.545 -6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.984 -4.179 -7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.523 -3.457 -7.304 1.00 0.00 H new ATOM 995 N VAL A 71 7.847 -4.565 -4.763 1.00 0.00 N ATOM 996 CA VAL A 71 7.879 -5.446 -3.608 1.00 0.00 C ATOM 997 C VAL A 71 6.868 -6.577 -3.807 1.00 0.00 C ATOM 998 O VAL A 71 5.814 -6.374 -4.407 1.00 0.00 O ATOM 999 CB VAL A 71 7.633 -4.642 -2.330 1.00 0.00 C ATOM 1000 CG1 VAL A 71 7.659 -5.549 -1.098 1.00 0.00 C ATOM 1001 CG2 VAL A 71 8.647 -3.504 -2.194 1.00 0.00 C ATOM 0 H VAL A 71 7.132 -3.839 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 71 8.863 -5.904 -3.504 1.00 0.00 H new ATOM 0 HB VAL A 71 6.639 -4.199 -2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.482 -4.952 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.882 -6.308 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.632 -6.034 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.450 -2.948 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.655 -3.917 -2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.560 -2.835 -3.050 1.00 0.00 H new ATOM 1011 N ASP A 72 7.225 -7.744 -3.290 1.00 0.00 N ATOM 1012 CA ASP A 72 6.363 -8.908 -3.403 1.00 0.00 C ATOM 1013 C ASP A 72 5.300 -8.858 -2.304 1.00 0.00 C ATOM 1014 O ASP A 72 5.482 -9.435 -1.233 1.00 0.00 O ATOM 1015 CB ASP A 72 7.159 -10.202 -3.232 1.00 0.00 C ATOM 1016 CG ASP A 72 6.666 -11.381 -4.074 1.00 0.00 C ATOM 1017 OD1 ASP A 72 5.725 -11.158 -4.866 1.00 0.00 O ATOM 1018 OD2 ASP A 72 7.241 -12.478 -3.906 1.00 0.00 O ATOM 0 H ASP A 72 8.100 -7.908 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 72 5.906 -8.894 -4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.201 -10.006 -3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.134 -10.490 -2.181 1.00 0.00 H new ATOM 1023 N PHE A 73 4.213 -8.163 -2.606 1.00 0.00 N ATOM 1024 CA PHE A 73 3.121 -8.030 -1.657 1.00 0.00 C ATOM 1025 C PHE A 73 2.120 -9.178 -1.809 1.00 0.00 C ATOM 1026 O PHE A 73 0.932 -9.009 -1.542 1.00 0.00 O ATOM 1027 CB PHE A 73 2.415 -6.709 -1.969 1.00 0.00 C ATOM 1028 CG PHE A 73 2.904 -5.528 -1.128 1.00 0.00 C ATOM 1029 CD1 PHE A 73 4.227 -5.216 -1.099 1.00 0.00 C ATOM 1030 CD2 PHE A 73 2.015 -4.791 -0.410 1.00 0.00 C ATOM 1031 CE1 PHE A 73 4.681 -4.120 -0.318 1.00 0.00 C ATOM 1032 CE2 PHE A 73 2.469 -3.695 0.371 1.00 0.00 C ATOM 1033 CZ PHE A 73 3.793 -3.383 0.400 1.00 0.00 C ATOM 0 H PHE A 73 4.065 -7.686 -3.495 1.00 0.00 H new ATOM 0 HA PHE A 73 3.508 -8.053 -0.638 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.556 -6.474 -3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.344 -6.835 -1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.933 -5.801 -1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.964 -5.039 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.732 -3.872 -0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.763 -3.109 0.942 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.138 -2.550 0.994 1.00 0.00 H new ATOM 1043 N SER A 74 2.638 -10.319 -2.237 1.00 0.00 N ATOM 1044 CA SER A 74 1.805 -11.494 -2.428 1.00 0.00 C ATOM 1045 C SER A 74 1.383 -12.062 -1.071 1.00 0.00 C ATOM 1046 O SER A 74 0.210 -11.998 -0.706 1.00 0.00 O ATOM 1047 CB SER A 74 2.536 -12.561 -3.245 1.00 0.00 C ATOM 1048 OG SER A 74 1.997 -13.863 -3.028 1.00 0.00 O ATOM 0 H SER A 74 3.625 -10.455 -2.457 1.00 0.00 H new ATOM 0 HA SER A 74 0.916 -11.196 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.471 -12.314 -4.305 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.594 -12.558 -2.981 1.00 0.00 H new ATOM 0 HG SER A 74 2.490 -14.515 -3.568 1.00 0.00 H new ATOM 1054 N ASN A 75 2.362 -12.604 -0.361 1.00 0.00 N ATOM 1055 CA ASN A 75 2.106 -13.182 0.947 1.00 0.00 C ATOM 1056 C ASN A 75 2.739 -12.298 2.023 1.00 0.00 C ATOM 1057 O ASN A 75 3.409 -12.796 2.926 1.00 0.00 O ATOM 1058 CB ASN A 75 2.720 -14.579 1.061 1.00 0.00 C ATOM 1059 CG ASN A 75 1.720 -15.654 0.632 1.00 0.00 C ATOM 1060 OD1 ASN A 75 1.149 -16.367 1.441 1.00 0.00 O ATOM 1061 ND2 ASN A 75 1.540 -15.731 -0.684 1.00 0.00 N ATOM 0 H ASN A 75 3.334 -12.655 -0.667 1.00 0.00 H new ATOM 0 HA ASN A 75 1.026 -13.250 1.080 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.613 -14.639 0.439 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.034 -14.759 2.089 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.892 -16.417 -1.071 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.050 -15.104 -1.306 1.00 0.00 H new ATOM 1068 N LEU A 76 2.505 -11.000 1.891 1.00 0.00 N ATOM 1069 CA LEU A 76 3.044 -10.042 2.841 1.00 0.00 C ATOM 1070 C LEU A 76 2.169 -10.028 4.096 1.00 0.00 C ATOM 1071 O LEU A 76 1.328 -10.906 4.281 1.00 0.00 O ATOM 1072 CB LEU A 76 3.202 -8.669 2.185 1.00 0.00 C ATOM 1073 CG LEU A 76 4.600 -8.331 1.664 1.00 0.00 C ATOM 1074 CD1 LEU A 76 4.664 -6.888 1.160 1.00 0.00 C ATOM 1075 CD2 LEU A 76 5.664 -8.615 2.726 1.00 0.00 C ATOM 0 H LEU A 76 1.949 -10.590 1.140 1.00 0.00 H new ATOM 0 HA LEU A 76 4.046 -10.337 3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.500 -8.603 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.912 -7.907 2.908 1.00 0.00 H new ATOM 0 HG LEU A 76 4.813 -8.978 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.669 -6.674 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.948 -6.754 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.421 -6.207 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.649 -8.366 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.465 -8.010 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.637 -9.671 2.995 1.00 0.00 H new ATOM 1087 N ASP A 77 2.398 -9.020 4.926 1.00 0.00 N ATOM 1088 CA ASP A 77 1.641 -8.880 6.159 1.00 0.00 C ATOM 1089 C ASP A 77 1.224 -7.418 6.332 1.00 0.00 C ATOM 1090 O ASP A 77 1.667 -6.549 5.582 1.00 0.00 O ATOM 1091 CB ASP A 77 2.484 -9.278 7.371 1.00 0.00 C ATOM 1092 CG ASP A 77 1.723 -9.337 8.697 1.00 0.00 C ATOM 1093 OD1 ASP A 77 0.575 -9.832 8.672 1.00 0.00 O ATOM 1094 OD2 ASP A 77 2.306 -8.885 9.707 1.00 0.00 O ATOM 0 H ASP A 77 3.096 -8.293 4.769 1.00 0.00 H new ATOM 0 HA ASP A 77 0.770 -9.532 6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.928 -10.255 7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.305 -8.569 7.472 1.00 0.00 H new ATOM 1099 N HIS A 78 0.377 -7.191 7.326 1.00 0.00 N ATOM 1100 CA HIS A 78 -0.104 -5.850 7.607 1.00 0.00 C ATOM 1101 C HIS A 78 1.029 -5.012 8.204 1.00 0.00 C ATOM 1102 O HIS A 78 0.877 -3.808 8.404 1.00 0.00 O ATOM 1103 CB HIS A 78 -1.343 -5.894 8.503 1.00 0.00 C ATOM 1104 CG HIS A 78 -2.028 -4.558 8.672 1.00 0.00 C ATOM 1105 ND1 HIS A 78 -1.591 -3.601 9.571 1.00 0.00 N ATOM 1106 CD2 HIS A 78 -3.120 -4.031 8.048 1.00 0.00 C ATOM 1107 CE1 HIS A 78 -2.392 -2.549 9.483 1.00 0.00 C ATOM 1108 NE2 HIS A 78 -3.339 -2.818 8.539 1.00 0.00 N ATOM 0 H HIS A 78 0.012 -7.914 7.946 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.414 -5.370 6.679 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.055 -6.606 8.085 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -1.055 -6.270 9.485 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.707 -4.518 7.284 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.309 -1.638 10.058 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -4.092 -2.190 8.257 1.00 0.00 H new ATOM 1116 N LYS A 79 2.140 -5.683 8.470 1.00 0.00 N ATOM 1117 CA LYS A 79 3.298 -5.016 9.040 1.00 0.00 C ATOM 1118 C LYS A 79 4.390 -4.900 7.974 1.00 0.00 C ATOM 1119 O LYS A 79 5.103 -3.899 7.917 1.00 0.00 O ATOM 1120 CB LYS A 79 3.756 -5.731 10.313 1.00 0.00 C ATOM 1121 CG LYS A 79 2.687 -5.646 11.404 1.00 0.00 C ATOM 1122 CD LYS A 79 3.171 -4.797 12.581 1.00 0.00 C ATOM 1123 CE LYS A 79 2.667 -5.365 13.910 1.00 0.00 C ATOM 1124 NZ LYS A 79 3.684 -5.184 14.970 1.00 0.00 N ATOM 0 H LYS A 79 2.263 -6.681 8.301 1.00 0.00 H new ATOM 0 HA LYS A 79 3.041 -4.002 9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.971 -6.776 10.090 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.683 -5.284 10.672 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.775 -5.215 10.991 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.437 -6.648 11.752 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.260 -4.763 12.586 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.820 -3.772 12.463 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.741 -4.867 14.197 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.437 -6.424 13.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.326 -5.575 15.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.558 -5.679 14.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.884 -4.170 15.090 1.00 0.00 H new ATOM 1138 N GLU A 80 4.486 -5.937 7.155 1.00 0.00 N ATOM 1139 CA GLU A 80 5.478 -5.964 6.094 1.00 0.00 C ATOM 1140 C GLU A 80 5.011 -5.117 4.909 1.00 0.00 C ATOM 1141 O GLU A 80 5.813 -4.433 4.275 1.00 0.00 O ATOM 1142 CB GLU A 80 5.776 -7.400 5.658 1.00 0.00 C ATOM 1143 CG GLU A 80 6.396 -8.203 6.803 1.00 0.00 C ATOM 1144 CD GLU A 80 7.712 -8.851 6.368 1.00 0.00 C ATOM 1145 OE1 GLU A 80 7.642 -9.759 5.512 1.00 0.00 O ATOM 1146 OE2 GLU A 80 8.758 -8.425 6.903 1.00 0.00 O ATOM 0 H GLU A 80 3.893 -6.765 7.205 1.00 0.00 H new ATOM 0 HA GLU A 80 6.404 -5.537 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.856 -7.882 5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.455 -7.392 4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.573 -7.549 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.698 -8.973 7.131 1.00 0.00 H new ATOM 1153 N ALA A 81 3.714 -5.190 4.645 1.00 0.00 N ATOM 1154 CA ALA A 81 3.130 -4.438 3.547 1.00 0.00 C ATOM 1155 C ALA A 81 3.121 -2.950 3.901 1.00 0.00 C ATOM 1156 O ALA A 81 3.254 -2.098 3.024 1.00 0.00 O ATOM 1157 CB ALA A 81 1.729 -4.975 3.249 1.00 0.00 C ATOM 0 H ALA A 81 3.051 -5.758 5.173 1.00 0.00 H new ATOM 0 HA ALA A 81 3.725 -4.557 2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.291 -4.411 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.794 -6.028 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.103 -4.869 4.135 1.00 0.00 H new ATOM 1163 N VAL A 82 2.963 -2.682 5.189 1.00 0.00 N ATOM 1164 CA VAL A 82 2.935 -1.311 5.671 1.00 0.00 C ATOM 1165 C VAL A 82 4.363 -0.763 5.720 1.00 0.00 C ATOM 1166 O VAL A 82 4.660 0.261 5.108 1.00 0.00 O ATOM 1167 CB VAL A 82 2.222 -1.246 7.023 1.00 0.00 C ATOM 1168 CG1 VAL A 82 2.560 0.053 7.758 1.00 0.00 C ATOM 1169 CG2 VAL A 82 0.710 -1.403 6.853 1.00 0.00 C ATOM 0 H VAL A 82 2.853 -3.391 5.914 1.00 0.00 H new ATOM 0 HA VAL A 82 2.367 -0.678 4.989 1.00 0.00 H new ATOM 0 HB VAL A 82 2.578 -2.078 7.631 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.041 0.075 8.716 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.636 0.106 7.927 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.245 0.905 7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.227 -1.353 7.829 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.330 -0.602 6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.494 -2.366 6.390 1.00 0.00 H new ATOM 1179 N ASN A 83 5.209 -1.470 6.456 1.00 0.00 N ATOM 1180 CA ASN A 83 6.598 -1.067 6.593 1.00 0.00 C ATOM 1181 C ASN A 83 7.155 -0.695 5.218 1.00 0.00 C ATOM 1182 O ASN A 83 7.828 0.325 5.073 1.00 0.00 O ATOM 1183 CB ASN A 83 7.449 -2.208 7.155 1.00 0.00 C ATOM 1184 CG ASN A 83 8.851 -1.718 7.521 1.00 0.00 C ATOM 1185 OD1 ASN A 83 9.079 -1.134 8.567 1.00 0.00 O ATOM 1186 ND2 ASN A 83 9.775 -1.986 6.602 1.00 0.00 N ATOM 0 H ASN A 83 4.959 -2.319 6.963 1.00 0.00 H new ATOM 0 HA ASN A 83 6.637 -0.218 7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.965 -2.627 8.037 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.521 -3.009 6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.742 -1.699 6.752 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.516 -2.479 5.747 1.00 0.00 H new ATOM 1193 N VAL A 84 6.854 -1.540 4.244 1.00 0.00 N ATOM 1194 CA VAL A 84 7.316 -1.312 2.885 1.00 0.00 C ATOM 1195 C VAL A 84 6.781 0.032 2.388 1.00 0.00 C ATOM 1196 O VAL A 84 7.452 0.728 1.626 1.00 0.00 O ATOM 1197 CB VAL A 84 6.910 -2.485 1.990 1.00 0.00 C ATOM 1198 CG1 VAL A 84 7.256 -2.203 0.527 1.00 0.00 C ATOM 1199 CG2 VAL A 84 7.557 -3.787 2.466 1.00 0.00 C ATOM 0 H VAL A 84 6.295 -2.384 4.368 1.00 0.00 H new ATOM 0 HA VAL A 84 8.404 -1.260 2.856 1.00 0.00 H new ATOM 0 HB VAL A 84 5.829 -2.603 2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.957 -3.052 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.727 -1.310 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.330 -2.046 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.252 -4.605 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.642 -3.686 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.239 -4.000 3.487 1.00 0.00 H new ATOM 1209 N LEU A 85 5.579 0.358 2.839 1.00 0.00 N ATOM 1210 CA LEU A 85 4.946 1.607 2.450 1.00 0.00 C ATOM 1211 C LEU A 85 5.643 2.769 3.159 1.00 0.00 C ATOM 1212 O LEU A 85 5.813 3.842 2.581 1.00 0.00 O ATOM 1213 CB LEU A 85 3.439 1.546 2.704 1.00 0.00 C ATOM 1214 CG LEU A 85 2.639 0.630 1.776 1.00 0.00 C ATOM 1215 CD1 LEU A 85 1.262 0.318 2.366 1.00 0.00 C ATOM 1216 CD2 LEU A 85 2.538 1.226 0.370 1.00 0.00 C ATOM 0 H LEU A 85 5.026 -0.221 3.471 1.00 0.00 H new ATOM 0 HA LEU A 85 5.058 1.774 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.277 1.220 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.036 2.555 2.622 1.00 0.00 H new ATOM 0 HG LEU A 85 3.173 -0.316 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.714 -0.335 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.383 -0.179 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.707 1.246 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.964 0.555 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.039 2.194 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.538 1.354 -0.044 1.00 0.00 H new ATOM 1228 N LYS A 86 6.028 2.517 4.402 1.00 0.00 N ATOM 1229 CA LYS A 86 6.702 3.530 5.197 1.00 0.00 C ATOM 1230 C LYS A 86 8.108 3.758 4.638 1.00 0.00 C ATOM 1231 O LYS A 86 8.679 4.835 4.803 1.00 0.00 O ATOM 1232 CB LYS A 86 6.683 3.149 6.678 1.00 0.00 C ATOM 1233 CG LYS A 86 5.400 2.395 7.034 1.00 0.00 C ATOM 1234 CD LYS A 86 5.100 2.500 8.531 1.00 0.00 C ATOM 1235 CE LYS A 86 3.599 2.662 8.779 1.00 0.00 C ATOM 1236 NZ LYS A 86 3.324 3.937 9.477 1.00 0.00 N ATOM 0 H LYS A 86 5.886 1.626 4.878 1.00 0.00 H new ATOM 0 HA LYS A 86 6.174 4.481 5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.549 2.529 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.762 4.048 7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.565 2.801 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.500 1.347 6.752 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.462 1.608 9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.636 3.349 8.954 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.063 2.637 7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.231 1.827 9.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.301 4.031 9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.820 3.946 10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.657 4.731 8.894 1.00 0.00 H new ATOM 1250 N SER A 87 8.626 2.726 3.988 1.00 0.00 N ATOM 1251 CA SER A 87 9.954 2.800 3.404 1.00 0.00 C ATOM 1252 C SER A 87 10.198 4.199 2.834 1.00 0.00 C ATOM 1253 O SER A 87 11.005 4.958 3.369 1.00 0.00 O ATOM 1254 CB SER A 87 10.136 1.743 2.313 1.00 0.00 C ATOM 1255 OG SER A 87 11.453 1.758 1.768 1.00 0.00 O ATOM 0 H SER A 87 8.150 1.834 3.853 1.00 0.00 H new ATOM 0 HA SER A 87 10.684 2.602 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.926 0.756 2.726 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.412 1.916 1.517 1.00 0.00 H new ATOM 0 HG SER A 87 11.529 1.068 1.076 1.00 0.00 H new ATOM 1261 N SER A 88 9.487 4.496 1.757 1.00 0.00 N ATOM 1262 CA SER A 88 9.616 5.790 1.109 1.00 0.00 C ATOM 1263 C SER A 88 8.231 6.381 0.839 1.00 0.00 C ATOM 1264 O SER A 88 7.216 5.732 1.087 1.00 0.00 O ATOM 1265 CB SER A 88 10.408 5.677 -0.196 1.00 0.00 C ATOM 1266 OG SER A 88 11.285 6.783 -0.386 1.00 0.00 O ATOM 0 H SER A 88 8.819 3.863 1.316 1.00 0.00 H new ATOM 0 HA SER A 88 10.163 6.454 1.778 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.986 4.753 -0.190 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.716 5.615 -1.036 1.00 0.00 H new ATOM 0 HG SER A 88 11.773 6.672 -1.229 1.00 0.00 H new ATOM 1272 N ARG A 89 8.233 7.607 0.336 1.00 0.00 N ATOM 1273 CA ARG A 89 6.989 8.293 0.030 1.00 0.00 C ATOM 1274 C ARG A 89 6.452 7.837 -1.328 1.00 0.00 C ATOM 1275 O ARG A 89 5.331 7.338 -1.420 1.00 0.00 O ATOM 1276 CB ARG A 89 7.187 9.810 0.010 1.00 0.00 C ATOM 1277 CG ARG A 89 7.996 10.274 1.223 1.00 0.00 C ATOM 1278 CD ARG A 89 7.228 10.023 2.522 1.00 0.00 C ATOM 1279 NE ARG A 89 8.125 9.421 3.533 1.00 0.00 N ATOM 1280 CZ ARG A 89 9.044 10.107 4.226 1.00 0.00 C ATOM 1281 NH1 ARG A 89 9.192 11.423 4.022 1.00 0.00 N ATOM 1282 NH2 ARG A 89 9.815 9.478 5.124 1.00 0.00 N ATOM 0 H ARG A 89 9.077 8.143 0.133 1.00 0.00 H new ATOM 0 HA ARG A 89 6.271 8.042 0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.700 10.101 -0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.217 10.307 0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.949 9.747 1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.222 11.336 1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.819 10.960 2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.384 9.360 2.332 1.00 0.00 H new ATOM 0 HE ARG A 89 8.038 8.421 3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.605 11.902 3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.892 11.945 4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.702 8.476 5.280 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.514 10.001 5.651 1.00 0.00 H new ATOM 1296 N SER A 90 7.276 8.025 -2.348 1.00 0.00 N ATOM 1297 CA SER A 90 6.898 7.639 -3.697 1.00 0.00 C ATOM 1298 C SER A 90 7.079 6.131 -3.880 1.00 0.00 C ATOM 1299 O SER A 90 8.203 5.632 -3.875 1.00 0.00 O ATOM 1300 CB SER A 90 7.718 8.403 -4.738 1.00 0.00 C ATOM 1301 OG SER A 90 8.097 9.696 -4.276 1.00 0.00 O ATOM 0 H SER A 90 8.204 8.440 -2.268 1.00 0.00 H new ATOM 0 HA SER A 90 5.848 7.892 -3.844 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.612 7.831 -4.986 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.137 8.502 -5.655 1.00 0.00 H new ATOM 0 HG SER A 90 8.620 10.151 -4.969 1.00 0.00 H new ATOM 1307 N LEU A 91 5.955 5.448 -4.037 1.00 0.00 N ATOM 1308 CA LEU A 91 5.975 4.007 -4.222 1.00 0.00 C ATOM 1309 C LEU A 91 5.053 3.633 -5.385 1.00 0.00 C ATOM 1310 O LEU A 91 4.096 4.347 -5.677 1.00 0.00 O ATOM 1311 CB LEU A 91 5.632 3.294 -2.912 1.00 0.00 C ATOM 1312 CG LEU A 91 6.477 3.681 -1.697 1.00 0.00 C ATOM 1313 CD1 LEU A 91 5.596 4.198 -0.558 1.00 0.00 C ATOM 1314 CD2 LEU A 91 7.363 2.515 -1.252 1.00 0.00 C ATOM 0 H LEU A 91 5.024 5.866 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 91 6.977 3.671 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.585 3.489 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.729 2.220 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 91 7.139 4.497 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.222 4.466 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.045 5.076 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.892 3.420 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.953 2.816 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.737 1.663 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.030 2.234 -2.067 1.00 0.00 H new ATOM 1326 N THR A 92 5.375 2.513 -6.017 1.00 0.00 N ATOM 1327 CA THR A 92 4.588 2.036 -7.141 1.00 0.00 C ATOM 1328 C THR A 92 3.774 0.805 -6.738 1.00 0.00 C ATOM 1329 O THR A 92 4.305 -0.304 -6.686 1.00 0.00 O ATOM 1330 CB THR A 92 5.541 1.779 -8.310 1.00 0.00 C ATOM 1331 OG1 THR A 92 5.875 3.083 -8.778 1.00 0.00 O ATOM 1332 CG2 THR A 92 4.842 1.123 -9.502 1.00 0.00 C ATOM 0 H THR A 92 6.170 1.923 -5.772 1.00 0.00 H new ATOM 0 HA THR A 92 3.857 2.780 -7.457 1.00 0.00 H new ATOM 0 HB THR A 92 6.362 1.144 -7.976 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.054 3.584 -8.965 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.563 0.963 -10.304 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.422 0.165 -9.195 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.043 1.773 -9.858 1.00 0.00 H new ATOM 1340 N ILE A 93 2.500 1.040 -6.464 1.00 0.00 N ATOM 1341 CA ILE A 93 1.608 -0.036 -6.067 1.00 0.00 C ATOM 1342 C ILE A 93 0.966 -0.646 -7.315 1.00 0.00 C ATOM 1343 O ILE A 93 0.511 0.077 -8.200 1.00 0.00 O ATOM 1344 CB ILE A 93 0.595 0.461 -5.034 1.00 0.00 C ATOM 1345 CG1 ILE A 93 1.301 1.086 -3.829 1.00 0.00 C ATOM 1346 CG2 ILE A 93 -0.361 -0.660 -4.621 1.00 0.00 C ATOM 1347 CD1 ILE A 93 0.425 2.155 -3.174 1.00 0.00 C ATOM 0 H ILE A 93 2.063 1.961 -6.509 1.00 0.00 H new ATOM 0 HA ILE A 93 2.166 -0.832 -5.574 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.007 1.244 -5.495 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.540 0.311 -3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.245 1.529 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.071 -0.280 -3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.902 -1.018 -5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.208 -1.481 -4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.950 2.583 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.208 2.941 -3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.508 1.704 -2.837 1.00 0.00 H new ATOM 1359 N SER A 94 0.949 -1.971 -7.345 1.00 0.00 N ATOM 1360 CA SER A 94 0.370 -2.686 -8.469 1.00 0.00 C ATOM 1361 C SER A 94 -0.880 -3.445 -8.019 1.00 0.00 C ATOM 1362 O SER A 94 -0.779 -4.521 -7.431 1.00 0.00 O ATOM 1363 CB SER A 94 1.383 -3.652 -9.088 1.00 0.00 C ATOM 1364 OG SER A 94 1.615 -3.372 -10.466 1.00 0.00 O ATOM 0 H SER A 94 1.327 -2.567 -6.609 1.00 0.00 H new ATOM 0 HA SER A 94 0.091 -1.958 -9.230 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.324 -3.589 -8.542 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.021 -4.674 -8.982 1.00 0.00 H new ATOM 0 HG SER A 94 2.268 -4.009 -10.824 1.00 0.00 H new ATOM 1370 N ILE A 95 -2.029 -2.854 -8.312 1.00 0.00 N ATOM 1371 CA ILE A 95 -3.297 -3.461 -7.944 1.00 0.00 C ATOM 1372 C ILE A 95 -3.899 -4.155 -9.168 1.00 0.00 C ATOM 1373 O ILE A 95 -3.416 -3.980 -10.285 1.00 0.00 O ATOM 1374 CB ILE A 95 -4.223 -2.423 -7.308 1.00 0.00 C ATOM 1375 CG1 ILE A 95 -4.402 -1.212 -8.226 1.00 0.00 C ATOM 1376 CG2 ILE A 95 -3.725 -2.020 -5.919 1.00 0.00 C ATOM 1377 CD1 ILE A 95 -5.885 -0.909 -8.453 1.00 0.00 C ATOM 0 H ILE A 95 -2.109 -1.962 -8.800 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.146 -4.228 -7.184 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.205 -2.877 -7.178 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.913 -0.343 -7.786 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.915 -1.402 -9.183 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.402 -1.281 -5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.692 -2.899 -5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.726 -1.592 -6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.983 -0.044 -9.109 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.366 -1.771 -8.915 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.363 -0.696 -7.497 1.00 0.00 H new ATOM 1389 N VAL A 96 -4.944 -4.929 -8.915 1.00 0.00 N ATOM 1390 CA VAL A 96 -5.617 -5.650 -9.982 1.00 0.00 C ATOM 1391 C VAL A 96 -7.025 -5.079 -10.169 1.00 0.00 C ATOM 1392 O VAL A 96 -7.959 -5.814 -10.487 1.00 0.00 O ATOM 1393 CB VAL A 96 -5.615 -7.150 -9.682 1.00 0.00 C ATOM 1394 CG1 VAL A 96 -6.449 -7.916 -10.711 1.00 0.00 C ATOM 1395 CG2 VAL A 96 -4.187 -7.695 -9.618 1.00 0.00 C ATOM 0 H VAL A 96 -5.341 -5.073 -7.987 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.086 -5.520 -10.925 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.073 -7.296 -8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.431 -8.980 -10.475 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.478 -7.556 -10.686 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.033 -7.758 -11.706 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.215 -8.763 -9.403 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.691 -7.530 -10.575 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.636 -7.181 -8.830 1.00 0.00 H new ATOM 1405 N ALA A 97 -7.132 -3.775 -9.963 1.00 0.00 N ATOM 1406 CA ALA A 97 -8.409 -3.097 -10.105 1.00 0.00 C ATOM 1407 C ALA A 97 -9.495 -3.914 -9.402 1.00 0.00 C ATOM 1408 O ALA A 97 -10.073 -4.825 -9.993 1.00 0.00 O ATOM 1409 CB ALA A 97 -8.712 -2.882 -11.589 1.00 0.00 C ATOM 0 H ALA A 97 -6.355 -3.170 -9.699 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.376 -2.115 -9.634 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.670 -2.373 -11.695 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.926 -2.273 -12.036 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.756 -3.846 -12.095 1.00 0.00 H new ATOM 1415 N ALA A 98 -9.741 -3.557 -8.149 1.00 0.00 N ATOM 1416 CA ALA A 98 -10.747 -4.246 -7.359 1.00 0.00 C ATOM 1417 C ALA A 98 -10.570 -5.757 -7.520 1.00 0.00 C ATOM 1418 O ALA A 98 -11.489 -6.450 -7.953 1.00 0.00 O ATOM 1419 CB ALA A 98 -12.140 -3.774 -7.782 1.00 0.00 C ATOM 0 H ALA A 98 -9.261 -2.800 -7.662 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.630 -4.012 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.895 -4.291 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.225 -2.699 -7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.294 -3.995 -8.838 1.00 0.00 H new ATOM 1425 N ALA A 99 -9.383 -6.223 -7.161 1.00 0.00 N ATOM 1426 CA ALA A 99 -9.074 -7.639 -7.260 1.00 0.00 C ATOM 1427 C ALA A 99 -10.012 -8.427 -6.344 1.00 0.00 C ATOM 1428 O ALA A 99 -10.856 -9.186 -6.819 1.00 0.00 O ATOM 1429 CB ALA A 99 -7.600 -7.865 -6.918 1.00 0.00 C ATOM 0 H ALA A 99 -8.624 -5.645 -6.801 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.231 -7.996 -8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.368 -8.927 -6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.975 -7.308 -7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.405 -7.521 -5.902 1.00 0.00 H new ATOM 1435 N GLY A 100 -9.833 -8.220 -5.048 1.00 0.00 N ATOM 1436 CA GLY A 100 -10.654 -8.901 -4.061 1.00 0.00 C ATOM 1437 C GLY A 100 -11.653 -7.937 -3.419 1.00 0.00 C ATOM 1438 O GLY A 100 -11.631 -7.731 -2.206 1.00 0.00 O ATOM 0 H GLY A 100 -9.132 -7.590 -4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.190 -9.724 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.017 -9.336 -3.291 1.00 0.00 H new ATOM 1442 N ARG A 101 -12.505 -7.371 -4.261 1.00 0.00 N ATOM 1443 CA ARG A 101 -13.511 -6.433 -3.790 1.00 0.00 C ATOM 1444 C ARG A 101 -14.662 -7.183 -3.116 1.00 0.00 C ATOM 1445 O ARG A 101 -15.450 -6.588 -2.382 1.00 0.00 O ATOM 1446 CB ARG A 101 -14.064 -5.594 -4.944 1.00 0.00 C ATOM 1447 CG ARG A 101 -14.523 -6.486 -6.099 1.00 0.00 C ATOM 1448 CD ARG A 101 -15.571 -5.775 -6.958 1.00 0.00 C ATOM 1449 NE ARG A 101 -16.492 -6.766 -7.557 1.00 0.00 N ATOM 1450 CZ ARG A 101 -16.247 -7.426 -8.697 1.00 0.00 C ATOM 1451 NH1 ARG A 101 -15.108 -7.205 -9.368 1.00 0.00 N ATOM 1452 NH2 ARG A 101 -17.140 -8.308 -9.166 1.00 0.00 N ATOM 0 H ARG A 101 -12.520 -7.543 -5.266 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.034 -5.769 -3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -14.900 -4.990 -4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -13.298 -4.903 -5.296 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -13.666 -6.758 -6.715 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -14.939 -7.413 -5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -16.132 -5.066 -6.349 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -15.080 -5.201 -7.744 1.00 0.00 H new ATOM 0 HE ARG A 101 -17.368 -6.959 -7.072 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.428 -6.534 -9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.922 -7.708 -10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -18.007 -8.477 -8.655 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.953 -8.810 -10.034 1.00 0.00 H new ATOM 1466 N GLU A 102 -14.722 -8.478 -3.389 1.00 0.00 N ATOM 1467 CA GLU A 102 -15.764 -9.315 -2.818 1.00 0.00 C ATOM 1468 C GLU A 102 -15.522 -9.516 -1.321 1.00 0.00 C ATOM 1469 O GLU A 102 -16.369 -10.068 -0.620 1.00 0.00 O ATOM 1470 CB GLU A 102 -15.847 -10.659 -3.545 1.00 0.00 C ATOM 1471 CG GLU A 102 -14.527 -11.425 -3.434 1.00 0.00 C ATOM 1472 CD GLU A 102 -14.726 -12.910 -3.746 1.00 0.00 C ATOM 1473 OE1 GLU A 102 -15.443 -13.563 -2.958 1.00 0.00 O ATOM 1474 OE2 GLU A 102 -14.157 -13.357 -4.765 1.00 0.00 O ATOM 0 H GLU A 102 -14.066 -8.968 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.721 -8.809 -2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.655 -11.256 -3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -16.089 -10.494 -4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.797 -11.000 -4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.121 -11.312 -2.429 1.00 0.00 H new ATOM 1481 N LEU A 103 -14.363 -9.056 -0.874 1.00 0.00 N ATOM 1482 CA LEU A 103 -13.999 -9.178 0.527 1.00 0.00 C ATOM 1483 C LEU A 103 -14.821 -8.184 1.351 1.00 0.00 C ATOM 1484 O LEU A 103 -14.970 -8.349 2.561 1.00 0.00 O ATOM 1485 CB LEU A 103 -12.488 -9.022 0.704 1.00 0.00 C ATOM 1486 CG LEU A 103 -11.613 -9.904 -0.189 1.00 0.00 C ATOM 1487 CD1 LEU A 103 -10.132 -9.562 -0.016 1.00 0.00 C ATOM 1488 CD2 LEU A 103 -11.892 -11.387 0.062 1.00 0.00 C ATOM 0 H LEU A 103 -13.663 -8.598 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 103 -14.238 -10.175 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.226 -7.980 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.240 -9.234 1.744 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.871 -9.699 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.533 -10.204 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.966 -8.519 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.841 -9.720 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.257 -11.991 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.680 -11.626 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.939 -11.602 -0.153 1.00 0.00 H new ATOM 1500 N PHE A 104 -15.332 -7.174 0.663 1.00 0.00 N ATOM 1501 CA PHE A 104 -16.135 -6.154 1.316 1.00 0.00 C ATOM 1502 C PHE A 104 -17.518 -6.049 0.671 1.00 0.00 C ATOM 1503 O PHE A 104 -18.533 -6.052 1.366 1.00 0.00 O ATOM 1504 CB PHE A 104 -15.400 -4.824 1.137 1.00 0.00 C ATOM 1505 CG PHE A 104 -13.887 -4.916 1.346 1.00 0.00 C ATOM 1506 CD1 PHE A 104 -13.086 -5.356 0.339 1.00 0.00 C ATOM 1507 CD2 PHE A 104 -13.343 -4.558 2.540 1.00 0.00 C ATOM 1508 CE1 PHE A 104 -11.682 -5.442 0.533 1.00 0.00 C ATOM 1509 CE2 PHE A 104 -11.939 -4.644 2.735 1.00 0.00 C ATOM 1510 CZ PHE A 104 -11.138 -5.084 1.727 1.00 0.00 C ATOM 0 H PHE A 104 -15.206 -7.040 -0.340 1.00 0.00 H new ATOM 0 HA PHE A 104 -16.272 -6.405 2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -15.595 -4.445 0.134 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -15.810 -4.097 1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.518 -5.640 -0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.979 -4.208 3.340 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.046 -5.792 -0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -11.507 -4.360 3.683 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.070 -5.149 1.875 1.00 0.00 H new