USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=17 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 31 CYS SG : rot 22:sc= 0.848 USER MOD Set 1.2: A 54 SER OG : rot -152:sc= 0.931 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= -0.0161 (180deg=-0.0291) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -138:sc= 0.0827 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.097) USER MOD Single : A 40 LYS NZ :NH3+ -127:sc= -1.72 (180deg=-5.39!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.218 USER MOD Single : A 47 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.9!) USER MOD Single : A 52 SER OG : rot -38:sc= 0.19 USER MOD Single : A 64 GLN : amide:sc= -9.51! C(o=-9.5!,f=-10!) USER MOD Single : A 69 ASN : amide:sc= -6.92! C(o=-6.9!,f=-7.6!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.3!) USER MOD Single : A 78 HIS : no HD1:sc= -0.49 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 K(o=0,f=-0.67) USER MOD Single : A 86 LYS NZ :NH3+ 170:sc= -0.0739 (180deg=-0.12) 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 90 SER OG : rot 180:sc= 0.081 USER MOD Single : A 92 THR OG1 : rot -57:sc= -2.16! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 187 N GLU A 16 -4.667 -5.202 -13.646 1.00 0.00 N ATOM 188 CA GLU A 16 -3.326 -4.850 -13.211 1.00 0.00 C ATOM 189 C GLU A 16 -2.997 -3.411 -13.613 1.00 0.00 C ATOM 190 O GLU A 16 -2.504 -3.168 -14.714 1.00 0.00 O ATOM 191 CB GLU A 16 -2.293 -5.827 -13.776 1.00 0.00 C ATOM 192 CG GLU A 16 -2.233 -7.107 -12.940 1.00 0.00 C ATOM 193 CD GLU A 16 -1.576 -8.244 -13.725 1.00 0.00 C ATOM 194 OE1 GLU A 16 -0.518 -7.976 -14.334 1.00 0.00 O ATOM 195 OE2 GLU A 16 -2.147 -9.356 -13.697 1.00 0.00 O ATOM 0 HA GLU A 16 -3.288 -4.920 -12.124 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.546 -6.074 -14.807 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.311 -5.354 -13.794 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.672 -6.921 -12.024 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.240 -7.400 -12.643 1.00 0.00 H new ATOM 202 N LYS A 17 -3.284 -2.495 -12.700 1.00 0.00 N ATOM 203 CA LYS A 17 -3.025 -1.087 -12.946 1.00 0.00 C ATOM 204 C LYS A 17 -1.809 -0.646 -12.129 1.00 0.00 C ATOM 205 O LYS A 17 -1.501 -1.241 -11.097 1.00 0.00 O ATOM 206 CB LYS A 17 -4.281 -0.256 -12.675 1.00 0.00 C ATOM 207 CG LYS A 17 -4.540 -0.127 -11.173 1.00 0.00 C ATOM 208 CD LYS A 17 -5.320 1.151 -10.858 1.00 0.00 C ATOM 209 CE LYS A 17 -6.828 0.894 -10.883 1.00 0.00 C ATOM 210 NZ LYS A 17 -7.389 1.224 -12.212 1.00 0.00 N ATOM 0 H LYS A 17 -3.693 -2.701 -11.789 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.781 -0.923 -13.996 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.167 0.735 -13.114 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.140 -0.722 -13.157 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.099 -0.994 -10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.591 -0.120 -10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.028 1.527 -9.877 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.067 1.924 -11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.029 -0.151 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.318 1.494 -10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.413 1.044 -12.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.214 2.227 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.934 0.633 -12.937 1.00 0.00 H new ATOM 224 N LYS A 18 -1.150 0.393 -12.621 1.00 0.00 N ATOM 225 CA LYS A 18 0.026 0.920 -11.949 1.00 0.00 C ATOM 226 C LYS A 18 -0.323 2.259 -11.296 1.00 0.00 C ATOM 227 O LYS A 18 -0.613 3.234 -11.987 1.00 0.00 O ATOM 228 CB LYS A 18 1.206 0.998 -12.919 1.00 0.00 C ATOM 229 CG LYS A 18 2.521 1.210 -12.166 1.00 0.00 C ATOM 230 CD LYS A 18 2.986 2.664 -12.273 1.00 0.00 C ATOM 231 CE LYS A 18 3.781 2.892 -13.561 1.00 0.00 C ATOM 232 NZ LYS A 18 3.011 3.734 -14.503 1.00 0.00 N ATOM 0 H LYS A 18 -1.408 0.884 -13.477 1.00 0.00 H new ATOM 0 HA LYS A 18 0.343 0.249 -11.151 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.262 0.080 -13.504 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.050 1.816 -13.623 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.391 0.942 -11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.287 0.549 -12.571 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.122 3.328 -12.252 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.603 2.917 -11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.732 3.372 -13.328 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.013 1.934 -14.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.265 3.484 -15.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.993 3.575 -14.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.232 4.736 -14.334 1.00 0.00 H new ATOM 246 N VAL A 19 -0.283 2.263 -9.972 1.00 0.00 N ATOM 247 CA VAL A 19 -0.591 3.466 -9.217 1.00 0.00 C ATOM 248 C VAL A 19 0.640 3.888 -8.413 1.00 0.00 C ATOM 249 O VAL A 19 1.258 3.065 -7.739 1.00 0.00 O ATOM 250 CB VAL A 19 -1.825 3.234 -8.343 1.00 0.00 C ATOM 251 CG1 VAL A 19 -3.112 3.450 -9.142 1.00 0.00 C ATOM 252 CG2 VAL A 19 -1.797 1.839 -7.714 1.00 0.00 C ATOM 0 H VAL A 19 -0.042 1.452 -9.402 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.836 4.287 -9.891 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.806 3.966 -7.536 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.974 3.279 -8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.139 4.472 -9.519 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.142 2.753 -9.980 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.685 1.700 -7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.780 1.085 -8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.906 1.737 -7.094 1.00 0.00 H new ATOM 262 N PHE A 20 0.961 5.170 -8.512 1.00 0.00 N ATOM 263 CA PHE A 20 2.108 5.711 -7.802 1.00 0.00 C ATOM 264 C PHE A 20 1.663 6.582 -6.625 1.00 0.00 C ATOM 265 O PHE A 20 1.094 7.654 -6.822 1.00 0.00 O ATOM 266 CB PHE A 20 2.883 6.576 -8.798 1.00 0.00 C ATOM 267 CG PHE A 20 4.392 6.610 -8.550 1.00 0.00 C ATOM 268 CD1 PHE A 20 4.922 7.534 -7.705 1.00 0.00 C ATOM 269 CD2 PHE A 20 5.204 5.715 -9.175 1.00 0.00 C ATOM 270 CE1 PHE A 20 6.323 7.566 -7.475 1.00 0.00 C ATOM 271 CE2 PHE A 20 6.605 5.747 -8.945 1.00 0.00 C ATOM 272 CZ PHE A 20 7.135 6.671 -8.100 1.00 0.00 C ATOM 0 H PHE A 20 0.447 5.849 -9.073 1.00 0.00 H new ATOM 0 HA PHE A 20 2.719 4.899 -7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.699 6.204 -9.806 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.496 7.594 -8.758 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.277 8.244 -7.208 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.783 4.981 -9.846 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.744 8.300 -6.804 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.250 5.037 -9.442 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.200 6.694 -7.925 1.00 0.00 H new ATOM 282 N ILE A 21 1.940 6.088 -5.427 1.00 0.00 N ATOM 283 CA ILE A 21 1.576 6.808 -4.219 1.00 0.00 C ATOM 284 C ILE A 21 2.822 7.474 -3.632 1.00 0.00 C ATOM 285 O ILE A 21 3.728 6.792 -3.155 1.00 0.00 O ATOM 286 CB ILE A 21 0.855 5.880 -3.239 1.00 0.00 C ATOM 287 CG1 ILE A 21 -0.532 5.500 -3.762 1.00 0.00 C ATOM 288 CG2 ILE A 21 0.791 6.501 -1.842 1.00 0.00 C ATOM 289 CD1 ILE A 21 -1.450 6.723 -3.818 1.00 0.00 C ATOM 0 H ILE A 21 2.412 5.198 -5.267 1.00 0.00 H new ATOM 0 HA ILE A 21 0.867 7.604 -4.449 1.00 0.00 H new ATOM 0 HB ILE A 21 1.431 4.958 -3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.442 5.062 -4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.972 4.739 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.274 5.821 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.802 6.678 -1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.251 7.447 -1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.429 6.426 -4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.557 7.144 -2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.019 7.471 -4.483 1.00 0.00 H new ATOM 301 N SER A 22 2.827 8.798 -3.686 1.00 0.00 N ATOM 302 CA SER A 22 3.947 9.563 -3.165 1.00 0.00 C ATOM 303 C SER A 22 3.497 10.398 -1.965 1.00 0.00 C ATOM 304 O SER A 22 2.574 11.203 -2.075 1.00 0.00 O ATOM 305 CB SER A 22 4.546 10.467 -4.245 1.00 0.00 C ATOM 306 OG SER A 22 5.827 10.967 -3.873 1.00 0.00 O ATOM 0 H SER A 22 2.074 9.360 -4.082 1.00 0.00 H new ATOM 0 HA SER A 22 4.719 8.864 -2.844 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.631 9.910 -5.178 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.872 11.302 -4.433 1.00 0.00 H new ATOM 0 HG SER A 22 6.176 11.538 -4.589 1.00 0.00 H new ATOM 312 N LEU A 23 4.171 10.178 -0.845 1.00 0.00 N ATOM 313 CA LEU A 23 3.853 10.900 0.375 1.00 0.00 C ATOM 314 C LEU A 23 4.551 12.261 0.354 1.00 0.00 C ATOM 315 O LEU A 23 5.339 12.572 1.246 1.00 0.00 O ATOM 316 CB LEU A 23 4.193 10.053 1.603 1.00 0.00 C ATOM 317 CG LEU A 23 3.145 9.017 2.014 1.00 0.00 C ATOM 318 CD1 LEU A 23 1.960 9.684 2.715 1.00 0.00 C ATOM 319 CD2 LEU A 23 2.702 8.178 0.813 1.00 0.00 C ATOM 0 H LEU A 23 4.936 9.509 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 23 2.782 11.092 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.133 9.534 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.363 10.723 2.446 1.00 0.00 H new ATOM 0 HG LEU A 23 3.602 8.336 2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.230 8.925 2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.310 10.200 3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.495 10.402 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.957 7.450 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.270 8.830 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.563 7.657 0.396 1.00 0.00 H new ATOM 415 N GLY A 30 -4.914 8.083 2.318 1.00 0.00 N ATOM 416 CA GLY A 30 -6.148 8.130 3.085 1.00 0.00 C ATOM 417 C GLY A 30 -6.990 6.875 2.846 1.00 0.00 C ATOM 418 O GLY A 30 -8.217 6.943 2.815 1.00 0.00 O ATOM 0 HA2 GLY A 30 -5.917 8.221 4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.720 9.015 2.806 1.00 0.00 H new ATOM 422 N CYS A 31 -6.296 5.758 2.682 1.00 0.00 N ATOM 423 CA CYS A 31 -6.964 4.489 2.447 1.00 0.00 C ATOM 424 C CYS A 31 -6.471 3.486 3.491 1.00 0.00 C ATOM 425 O CYS A 31 -5.332 3.569 3.949 1.00 0.00 O ATOM 426 CB CYS A 31 -6.738 3.986 1.020 1.00 0.00 C ATOM 427 SG CYS A 31 -4.949 3.749 0.717 1.00 0.00 S ATOM 0 H CYS A 31 -5.278 5.706 2.707 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.041 4.618 2.549 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.269 3.046 0.868 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.145 4.701 0.305 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.333 3.600 1.852 1.00 0.00 H new ATOM 433 N SER A 32 -7.353 2.559 3.838 1.00 0.00 N ATOM 434 CA SER A 32 -7.021 1.540 4.819 1.00 0.00 C ATOM 435 C SER A 32 -6.855 0.184 4.131 1.00 0.00 C ATOM 436 O SER A 32 -7.610 -0.149 3.219 1.00 0.00 O ATOM 437 CB SER A 32 -8.093 1.455 5.908 1.00 0.00 C ATOM 438 OG SER A 32 -7.548 1.653 7.210 1.00 0.00 O ATOM 0 H SER A 32 -8.297 2.493 3.457 1.00 0.00 H new ATOM 0 HA SER A 32 -6.079 1.816 5.294 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.862 2.204 5.719 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.579 0.481 5.863 1.00 0.00 H new ATOM 0 HG SER A 32 -8.264 1.593 7.877 1.00 0.00 H new ATOM 444 N ILE A 33 -5.862 -0.561 4.593 1.00 0.00 N ATOM 445 CA ILE A 33 -5.588 -1.873 4.033 1.00 0.00 C ATOM 446 C ILE A 33 -6.073 -2.950 5.006 1.00 0.00 C ATOM 447 O ILE A 33 -6.123 -2.724 6.214 1.00 0.00 O ATOM 448 CB ILE A 33 -4.108 -2.000 3.665 1.00 0.00 C ATOM 449 CG1 ILE A 33 -3.215 -1.698 4.870 1.00 0.00 C ATOM 450 CG2 ILE A 33 -3.766 -1.118 2.462 1.00 0.00 C ATOM 451 CD1 ILE A 33 -1.955 -2.565 4.849 1.00 0.00 C ATOM 0 H ILE A 33 -5.237 -0.281 5.349 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.138 -2.012 3.102 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.915 -3.032 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.936 -0.644 4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.769 -1.877 5.792 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.709 -1.226 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.367 -1.422 1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.979 -0.076 2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.338 -2.331 5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.237 -3.617 4.878 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.391 -2.366 3.938 1.00 0.00 H new ATOM 463 N SER A 34 -6.419 -4.098 4.443 1.00 0.00 N ATOM 464 CA SER A 34 -6.899 -5.211 5.245 1.00 0.00 C ATOM 465 C SER A 34 -6.101 -6.474 4.918 1.00 0.00 C ATOM 466 O SER A 34 -5.336 -6.498 3.955 1.00 0.00 O ATOM 467 CB SER A 34 -8.393 -5.452 5.016 1.00 0.00 C ATOM 468 OG SER A 34 -8.630 -6.611 4.221 1.00 0.00 O ATOM 0 H SER A 34 -6.377 -4.282 3.441 1.00 0.00 H new ATOM 0 HA SER A 34 -6.756 -4.961 6.296 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.894 -5.563 5.978 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.830 -4.581 4.527 1.00 0.00 H new ATOM 0 HG SER A 34 -9.337 -6.421 3.569 1.00 0.00 H new ATOM 474 N SER A 35 -6.307 -7.494 5.738 1.00 0.00 N ATOM 475 CA SER A 35 -5.616 -8.759 5.548 1.00 0.00 C ATOM 476 C SER A 35 -6.577 -9.798 4.968 1.00 0.00 C ATOM 477 O SER A 35 -7.752 -9.833 5.330 1.00 0.00 O ATOM 478 CB SER A 35 -5.019 -9.263 6.864 1.00 0.00 C ATOM 479 OG SER A 35 -6.025 -9.540 7.835 1.00 0.00 O ATOM 0 H SER A 35 -6.942 -7.471 6.536 1.00 0.00 H new ATOM 0 HA SER A 35 -4.797 -8.600 4.846 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.438 -10.166 6.676 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.330 -8.517 7.259 1.00 0.00 H new ATOM 0 HG SER A 35 -5.604 -9.861 8.660 1.00 0.00 H new ATOM 485 N GLY A 36 -6.042 -10.620 4.077 1.00 0.00 N ATOM 486 CA GLY A 36 -6.838 -11.657 3.443 1.00 0.00 C ATOM 487 C GLY A 36 -6.660 -12.998 4.158 1.00 0.00 C ATOM 488 O GLY A 36 -5.695 -13.189 4.897 1.00 0.00 O ATOM 0 H GLY A 36 -5.067 -10.589 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.890 -11.371 3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.546 -11.757 2.398 1.00 0.00 H new ATOM 492 N PRO A 37 -7.631 -13.916 3.907 1.00 0.00 N ATOM 493 CA PRO A 37 -7.591 -15.234 4.518 1.00 0.00 C ATOM 494 C PRO A 37 -6.535 -16.117 3.850 1.00 0.00 C ATOM 495 O PRO A 37 -5.766 -15.646 3.014 1.00 0.00 O ATOM 496 CB PRO A 37 -9.002 -15.779 4.369 1.00 0.00 C ATOM 497 CG PRO A 37 -9.657 -14.950 3.277 1.00 0.00 C ATOM 498 CD PRO A 37 -8.788 -13.726 3.038 1.00 0.00 C ATOM 0 HA PRO A 37 -7.299 -15.202 5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.986 -16.835 4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.553 -15.696 5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.755 -15.533 2.362 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.662 -14.652 3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.489 -13.651 1.992 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.321 -12.808 3.284 1.00 0.00 H new ATOM 506 N ILE A 38 -6.532 -17.382 4.244 1.00 0.00 N ATOM 507 CA ILE A 38 -5.583 -18.335 3.694 1.00 0.00 C ATOM 508 C ILE A 38 -5.965 -18.649 2.246 1.00 0.00 C ATOM 509 O ILE A 38 -5.099 -18.944 1.422 1.00 0.00 O ATOM 510 CB ILE A 38 -5.489 -19.573 4.587 1.00 0.00 C ATOM 511 CG1 ILE A 38 -4.583 -20.634 3.959 1.00 0.00 C ATOM 512 CG2 ILE A 38 -6.879 -20.124 4.910 1.00 0.00 C ATOM 513 CD1 ILE A 38 -3.196 -20.624 4.606 1.00 0.00 C ATOM 0 H ILE A 38 -7.172 -17.769 4.938 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.581 -17.907 3.675 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.033 -19.278 5.532 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.035 -21.619 4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.490 -20.451 2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.783 -21.004 5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.461 -19.362 5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.385 -20.399 3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.572 -21.387 4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.736 -19.646 4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.290 -20.832 5.672 1.00 0.00 H new ATOM 525 N GLN A 39 -7.260 -18.575 1.979 1.00 0.00 N ATOM 526 CA GLN A 39 -7.766 -18.848 0.645 1.00 0.00 C ATOM 527 C GLN A 39 -7.529 -17.645 -0.269 1.00 0.00 C ATOM 528 O GLN A 39 -7.377 -17.801 -1.480 1.00 0.00 O ATOM 529 CB GLN A 39 -9.250 -19.221 0.686 1.00 0.00 C ATOM 530 CG GLN A 39 -10.096 -18.046 1.180 1.00 0.00 C ATOM 531 CD GLN A 39 -11.394 -18.538 1.824 1.00 0.00 C ATOM 532 OE1 GLN A 39 -12.027 -19.476 1.367 1.00 0.00 O ATOM 533 NE2 GLN A 39 -11.754 -17.855 2.907 1.00 0.00 N ATOM 0 H GLN A 39 -7.975 -18.330 2.664 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.222 -19.701 0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.581 -19.520 -0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.395 -20.080 1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.526 -17.461 1.902 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.328 -17.384 0.346 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.178 -17.080 3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.606 -18.106 3.408 1.00 0.00 H new ATOM 542 N LYS A 40 -7.504 -16.471 0.345 1.00 0.00 N ATOM 543 CA LYS A 40 -7.287 -15.242 -0.398 1.00 0.00 C ATOM 544 C LYS A 40 -6.348 -14.330 0.394 1.00 0.00 C ATOM 545 O LYS A 40 -6.732 -13.232 0.791 1.00 0.00 O ATOM 546 CB LYS A 40 -8.624 -14.587 -0.753 1.00 0.00 C ATOM 547 CG LYS A 40 -8.451 -13.558 -1.872 1.00 0.00 C ATOM 548 CD LYS A 40 -9.721 -13.450 -2.719 1.00 0.00 C ATOM 549 CE LYS A 40 -9.760 -12.125 -3.481 1.00 0.00 C ATOM 550 NZ LYS A 40 -11.128 -11.852 -3.976 1.00 0.00 N ATOM 0 H LYS A 40 -7.631 -16.345 1.349 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.799 -15.454 -1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.336 -15.351 -1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.041 -14.103 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.212 -12.585 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.610 -13.842 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.764 -14.280 -3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.598 -13.531 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.434 -11.314 -2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.064 -12.160 -4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.096 -11.661 -4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.733 -12.679 -3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.518 -11.024 -3.481 1.00 0.00 H new ATOM 564 N PRO A 41 -5.102 -14.834 0.605 1.00 0.00 N ATOM 565 CA PRO A 41 -4.104 -14.077 1.343 1.00 0.00 C ATOM 566 C PRO A 41 -3.538 -12.940 0.490 1.00 0.00 C ATOM 567 O PRO A 41 -3.389 -13.083 -0.722 1.00 0.00 O ATOM 568 CB PRO A 41 -3.053 -15.099 1.744 1.00 0.00 C ATOM 569 CG PRO A 41 -3.261 -16.293 0.826 1.00 0.00 C ATOM 570 CD PRO A 41 -4.612 -16.131 0.149 1.00 0.00 C ATOM 0 HA PRO A 41 -4.516 -13.583 2.223 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.049 -14.691 1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.166 -15.386 2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.466 -16.346 0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.228 -17.222 1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.517 -16.159 -0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.294 -16.933 0.430 1.00 0.00 H new ATOM 578 N GLY A 42 -3.237 -11.836 1.158 1.00 0.00 N ATOM 579 CA GLY A 42 -2.690 -10.675 0.477 1.00 0.00 C ATOM 580 C GLY A 42 -3.080 -9.383 1.198 1.00 0.00 C ATOM 581 O GLY A 42 -3.418 -9.405 2.380 1.00 0.00 O ATOM 0 H GLY A 42 -3.362 -11.721 2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.604 -10.755 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.054 -10.647 -0.550 1.00 0.00 H new ATOM 585 N ILE A 43 -3.019 -8.287 0.455 1.00 0.00 N ATOM 586 CA ILE A 43 -3.360 -6.988 1.009 1.00 0.00 C ATOM 587 C ILE A 43 -4.413 -6.321 0.121 1.00 0.00 C ATOM 588 O ILE A 43 -4.184 -6.110 -1.068 1.00 0.00 O ATOM 589 CB ILE A 43 -2.101 -6.143 1.210 1.00 0.00 C ATOM 590 CG1 ILE A 43 -1.058 -6.900 2.034 1.00 0.00 C ATOM 591 CG2 ILE A 43 -2.444 -4.785 1.827 1.00 0.00 C ATOM 592 CD1 ILE A 43 -1.399 -6.854 3.525 1.00 0.00 C ATOM 0 H ILE A 43 -2.739 -8.272 -0.526 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.801 -7.100 1.999 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.660 -5.950 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.008 -7.937 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.073 -6.464 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.531 -4.204 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.124 -4.247 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.922 -4.935 2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.642 -7.400 4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.424 -5.817 3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.374 -7.312 3.690 1.00 0.00 H new ATOM 604 N PHE A 44 -5.546 -6.009 0.734 1.00 0.00 N ATOM 605 CA PHE A 44 -6.635 -5.371 0.014 1.00 0.00 C ATOM 606 C PHE A 44 -7.115 -4.116 0.746 1.00 0.00 C ATOM 607 O PHE A 44 -7.097 -4.065 1.975 1.00 0.00 O ATOM 608 CB PHE A 44 -7.782 -6.381 -0.049 1.00 0.00 C ATOM 609 CG PHE A 44 -7.358 -7.777 -0.509 1.00 0.00 C ATOM 610 CD1 PHE A 44 -6.547 -8.535 0.277 1.00 0.00 C ATOM 611 CD2 PHE A 44 -7.791 -8.260 -1.704 1.00 0.00 C ATOM 612 CE1 PHE A 44 -6.153 -9.830 -0.150 1.00 0.00 C ATOM 613 CE2 PHE A 44 -7.398 -9.555 -2.131 1.00 0.00 C ATOM 614 CZ PHE A 44 -6.587 -10.313 -1.345 1.00 0.00 C ATOM 0 H PHE A 44 -5.733 -6.186 1.721 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.300 -5.074 -0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.239 -6.458 0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.548 -6.004 -0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.203 -8.151 1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.434 -7.658 -2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.509 -10.432 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.743 -9.939 -3.080 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.288 -11.299 -1.670 1.00 0.00 H new ATOM 624 N ILE A 45 -7.533 -3.135 -0.040 1.00 0.00 N ATOM 625 CA ILE A 45 -8.017 -1.884 0.519 1.00 0.00 C ATOM 626 C ILE A 45 -9.374 -2.119 1.186 1.00 0.00 C ATOM 627 O ILE A 45 -10.218 -2.834 0.648 1.00 0.00 O ATOM 628 CB ILE A 45 -8.040 -0.792 -0.553 1.00 0.00 C ATOM 629 CG1 ILE A 45 -6.627 -0.286 -0.850 1.00 0.00 C ATOM 630 CG2 ILE A 45 -8.985 0.345 -0.158 1.00 0.00 C ATOM 631 CD1 ILE A 45 -6.662 0.902 -1.814 1.00 0.00 C ATOM 0 H ILE A 45 -7.547 -3.181 -1.059 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.339 -1.525 1.293 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.427 -1.226 -1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.140 0.009 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.031 -1.091 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.982 1.107 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.995 -0.047 -0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.652 0.785 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.645 1.243 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.128 0.597 -2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.238 1.714 -1.370 1.00 0.00 H new ATOM 643 N SER A 46 -9.542 -1.503 2.347 1.00 0.00 N ATOM 644 CA SER A 46 -10.781 -1.637 3.093 1.00 0.00 C ATOM 645 C SER A 46 -11.612 -0.359 2.961 1.00 0.00 C ATOM 646 O SER A 46 -12.838 -0.416 2.882 1.00 0.00 O ATOM 647 CB SER A 46 -10.507 -1.942 4.567 1.00 0.00 C ATOM 648 OG SER A 46 -10.586 -0.772 5.377 1.00 0.00 O ATOM 0 H SER A 46 -8.840 -0.910 2.789 1.00 0.00 H new ATOM 0 HA SER A 46 -11.342 -2.473 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.225 -2.680 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.517 -2.387 4.667 1.00 0.00 H new ATOM 0 HG SER A 46 -10.407 -1.008 6.311 1.00 0.00 H new ATOM 654 N HIS A 47 -10.910 0.765 2.940 1.00 0.00 N ATOM 655 CA HIS A 47 -11.568 2.055 2.819 1.00 0.00 C ATOM 656 C HIS A 47 -10.598 3.070 2.208 1.00 0.00 C ATOM 657 O HIS A 47 -9.392 2.994 2.433 1.00 0.00 O ATOM 658 CB HIS A 47 -12.128 2.509 4.169 1.00 0.00 C ATOM 659 CG HIS A 47 -13.022 3.723 4.086 1.00 0.00 C ATOM 660 ND1 HIS A 47 -12.568 4.961 3.667 1.00 0.00 N ATOM 661 CD2 HIS A 47 -14.347 3.875 4.372 1.00 0.00 C ATOM 662 CE1 HIS A 47 -13.582 5.813 3.703 1.00 0.00 C ATOM 663 NE2 HIS A 47 -14.683 5.138 4.141 1.00 0.00 N ATOM 0 H HIS A 47 -9.893 0.809 3.005 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.422 1.970 2.147 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.689 1.687 4.613 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.298 2.727 4.840 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.010 3.099 4.726 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.543 6.858 3.433 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.612 5.538 4.270 1.00 0.00 H new ATOM 671 N VAL A 48 -11.163 3.996 1.448 1.00 0.00 N ATOM 672 CA VAL A 48 -10.364 5.024 0.803 1.00 0.00 C ATOM 673 C VAL A 48 -11.209 6.288 0.632 1.00 0.00 C ATOM 674 O VAL A 48 -12.263 6.254 -0.002 1.00 0.00 O ATOM 675 CB VAL A 48 -9.802 4.498 -0.519 1.00 0.00 C ATOM 676 CG1 VAL A 48 -10.826 3.617 -1.238 1.00 0.00 C ATOM 677 CG2 VAL A 48 -9.342 5.649 -1.416 1.00 0.00 C ATOM 0 H VAL A 48 -12.165 4.056 1.264 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.507 5.287 1.423 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.932 3.882 -0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.401 3.256 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.083 2.768 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.724 4.199 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.947 5.248 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.187 6.303 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.564 6.218 -0.907 1.00 0.00 H new ATOM 730 N SER A 52 -8.115 11.599 -0.899 1.00 0.00 N ATOM 731 CA SER A 52 -6.901 11.037 -0.332 1.00 0.00 C ATOM 732 C SER A 52 -5.849 10.852 -1.428 1.00 0.00 C ATOM 733 O SER A 52 -6.094 11.174 -2.590 1.00 0.00 O ATOM 734 CB SER A 52 -7.184 9.704 0.363 1.00 0.00 C ATOM 735 OG SER A 52 -7.955 8.828 -0.455 1.00 0.00 O ATOM 0 HA SER A 52 -6.519 11.732 0.416 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.241 9.222 0.621 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.714 9.888 1.297 1.00 0.00 H new ATOM 0 HG SER A 52 -8.629 9.345 -0.943 1.00 0.00 H new ATOM 741 N LEU A 53 -4.700 10.335 -1.019 1.00 0.00 N ATOM 742 CA LEU A 53 -3.610 10.103 -1.951 1.00 0.00 C ATOM 743 C LEU A 53 -3.947 8.900 -2.835 1.00 0.00 C ATOM 744 O LEU A 53 -3.251 8.629 -3.813 1.00 0.00 O ATOM 745 CB LEU A 53 -2.284 9.963 -1.201 1.00 0.00 C ATOM 746 CG LEU A 53 -1.107 10.762 -1.765 1.00 0.00 C ATOM 747 CD1 LEU A 53 0.175 10.478 -0.979 1.00 0.00 C ATOM 748 CD2 LEU A 53 -0.932 10.498 -3.262 1.00 0.00 C ATOM 0 H LEU A 53 -4.500 10.070 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.486 10.960 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.441 10.267 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.008 8.909 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.328 11.823 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.996 11.058 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.031 10.757 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.412 9.416 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.089 11.078 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.744 9.437 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.839 10.791 -3.792 1.00 0.00 H new ATOM 760 N SER A 54 -5.013 8.210 -2.458 1.00 0.00 N ATOM 761 CA SER A 54 -5.451 7.042 -3.204 1.00 0.00 C ATOM 762 C SER A 54 -6.556 7.433 -4.187 1.00 0.00 C ATOM 763 O SER A 54 -6.444 7.181 -5.385 1.00 0.00 O ATOM 764 CB SER A 54 -5.942 5.940 -2.263 1.00 0.00 C ATOM 765 OG SER A 54 -5.237 5.943 -1.024 1.00 0.00 O ATOM 0 H SER A 54 -5.587 8.437 -1.646 1.00 0.00 H new ATOM 0 HA SER A 54 -4.599 6.653 -3.762 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.007 6.072 -2.074 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.822 4.970 -2.746 1.00 0.00 H new ATOM 0 HG SER A 54 -5.222 5.036 -0.654 1.00 0.00 H new ATOM 771 N ALA A 55 -7.600 8.041 -3.642 1.00 0.00 N ATOM 772 CA ALA A 55 -8.725 8.469 -4.456 1.00 0.00 C ATOM 773 C ALA A 55 -8.211 9.303 -5.631 1.00 0.00 C ATOM 774 O ALA A 55 -8.714 9.185 -6.748 1.00 0.00 O ATOM 775 CB ALA A 55 -9.721 9.239 -3.586 1.00 0.00 C ATOM 0 H ALA A 55 -7.690 8.247 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.250 7.607 -4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.565 9.560 -4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.078 8.593 -2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.230 10.113 -3.157 1.00 0.00 H new ATOM 781 N GLU A 56 -7.216 10.127 -5.340 1.00 0.00 N ATOM 782 CA GLU A 56 -6.628 10.980 -6.359 1.00 0.00 C ATOM 783 C GLU A 56 -6.154 10.140 -7.546 1.00 0.00 C ATOM 784 O GLU A 56 -6.139 10.616 -8.681 1.00 0.00 O ATOM 785 CB GLU A 56 -5.480 11.811 -5.783 1.00 0.00 C ATOM 786 CG GLU A 56 -4.340 10.912 -5.301 1.00 0.00 C ATOM 787 CD GLU A 56 -2.987 11.608 -5.463 1.00 0.00 C ATOM 788 OE1 GLU A 56 -2.814 12.669 -4.825 1.00 0.00 O ATOM 789 OE2 GLU A 56 -2.155 11.062 -6.220 1.00 0.00 O ATOM 0 H GLU A 56 -6.802 10.222 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.393 11.672 -6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.109 12.500 -6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.845 12.417 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.496 10.651 -4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.343 9.980 -5.866 1.00 0.00 H new ATOM 796 N VAL A 57 -5.780 8.906 -7.245 1.00 0.00 N ATOM 797 CA VAL A 57 -5.307 7.995 -8.273 1.00 0.00 C ATOM 798 C VAL A 57 -6.487 7.183 -8.811 1.00 0.00 C ATOM 799 O VAL A 57 -6.434 6.670 -9.928 1.00 0.00 O ATOM 800 CB VAL A 57 -4.181 7.119 -7.720 1.00 0.00 C ATOM 801 CG1 VAL A 57 -3.176 7.955 -6.926 1.00 0.00 C ATOM 802 CG2 VAL A 57 -4.742 5.980 -6.866 1.00 0.00 C ATOM 0 H VAL A 57 -5.795 8.515 -6.303 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.886 8.551 -9.111 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.655 6.676 -8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.386 7.308 -6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.741 8.714 -7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.684 8.439 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.921 5.372 -6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.304 6.395 -6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.401 5.360 -7.474 1.00 0.00 H new ATOM 812 N GLY A 58 -7.523 7.091 -7.991 1.00 0.00 N ATOM 813 CA GLY A 58 -8.714 6.350 -8.370 1.00 0.00 C ATOM 814 C GLY A 58 -8.736 4.971 -7.709 1.00 0.00 C ATOM 815 O GLY A 58 -9.130 3.986 -8.332 1.00 0.00 O ATOM 0 H GLY A 58 -7.563 7.517 -7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.603 6.910 -8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.747 6.238 -9.454 1.00 0.00 H new ATOM 819 N LEU A 59 -8.307 4.944 -6.456 1.00 0.00 N ATOM 820 CA LEU A 59 -8.272 3.702 -5.703 1.00 0.00 C ATOM 821 C LEU A 59 -9.640 3.459 -5.064 1.00 0.00 C ATOM 822 O LEU A 59 -10.282 4.395 -4.589 1.00 0.00 O ATOM 823 CB LEU A 59 -7.117 3.716 -4.699 1.00 0.00 C ATOM 824 CG LEU A 59 -5.759 3.254 -5.231 1.00 0.00 C ATOM 825 CD1 LEU A 59 -4.665 3.443 -4.179 1.00 0.00 C ATOM 826 CD2 LEU A 59 -5.829 1.810 -5.732 1.00 0.00 C ATOM 0 H LEU A 59 -7.980 5.763 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.076 2.860 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.008 4.730 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.388 3.083 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.496 3.879 -6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.710 3.107 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.595 4.498 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.909 2.860 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.851 1.506 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.125 1.155 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.562 1.739 -6.536 1.00 0.00 H new ATOM 838 N GLU A 60 -10.046 2.198 -5.071 1.00 0.00 N ATOM 839 CA GLU A 60 -11.326 1.820 -4.498 1.00 0.00 C ATOM 840 C GLU A 60 -11.191 0.518 -3.707 1.00 0.00 C ATOM 841 O GLU A 60 -10.202 -0.200 -3.851 1.00 0.00 O ATOM 842 CB GLU A 60 -12.397 1.693 -5.583 1.00 0.00 C ATOM 843 CG GLU A 60 -12.439 2.946 -6.461 1.00 0.00 C ATOM 844 CD GLU A 60 -13.473 2.797 -7.579 1.00 0.00 C ATOM 845 OE1 GLU A 60 -13.130 2.137 -8.584 1.00 0.00 O ATOM 846 OE2 GLU A 60 -14.582 3.347 -7.404 1.00 0.00 O ATOM 0 H GLU A 60 -9.510 1.425 -5.465 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.641 2.607 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.192 0.818 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.371 1.536 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.682 3.815 -5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.454 3.125 -6.893 1.00 0.00 H new ATOM 853 N ILE A 61 -12.198 0.252 -2.888 1.00 0.00 N ATOM 854 CA ILE A 61 -12.203 -0.952 -2.074 1.00 0.00 C ATOM 855 C ILE A 61 -12.146 -2.179 -2.986 1.00 0.00 C ATOM 856 O ILE A 61 -12.963 -2.320 -3.894 1.00 0.00 O ATOM 857 CB ILE A 61 -13.400 -0.949 -1.121 1.00 0.00 C ATOM 858 CG1 ILE A 61 -13.300 0.204 -0.119 1.00 0.00 C ATOM 859 CG2 ILE A 61 -13.549 -2.302 -0.423 1.00 0.00 C ATOM 860 CD1 ILE A 61 -14.684 0.603 0.397 1.00 0.00 C ATOM 0 H ILE A 61 -13.016 0.850 -2.771 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.319 -0.986 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.304 -0.788 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.667 -0.091 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -12.823 1.062 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.407 -2.272 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.699 -3.082 -1.169 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.647 -2.517 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.585 1.424 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -15.307 0.920 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.148 -0.250 0.892 1.00 0.00 H new ATOM 872 N GLY A 62 -11.174 -3.036 -2.711 1.00 0.00 N ATOM 873 CA GLY A 62 -11.000 -4.247 -3.495 1.00 0.00 C ATOM 874 C GLY A 62 -9.597 -4.310 -4.102 1.00 0.00 C ATOM 875 O GLY A 62 -9.013 -5.387 -4.215 1.00 0.00 O ATOM 0 H GLY A 62 -10.499 -2.916 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.167 -5.120 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.746 -4.281 -4.289 1.00 0.00 H new ATOM 879 N ASP A 63 -9.096 -3.142 -4.478 1.00 0.00 N ATOM 880 CA ASP A 63 -7.773 -3.051 -5.071 1.00 0.00 C ATOM 881 C ASP A 63 -6.772 -3.806 -4.193 1.00 0.00 C ATOM 882 O ASP A 63 -6.290 -3.272 -3.195 1.00 0.00 O ATOM 883 CB ASP A 63 -7.312 -1.595 -5.168 1.00 0.00 C ATOM 884 CG ASP A 63 -8.204 -0.691 -6.021 1.00 0.00 C ATOM 885 OD1 ASP A 63 -8.890 -1.243 -6.908 1.00 0.00 O ATOM 886 OD2 ASP A 63 -8.179 0.533 -5.766 1.00 0.00 O ATOM 0 H ASP A 63 -9.583 -2.251 -4.383 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.821 -3.482 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.255 -1.180 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.302 -1.576 -5.578 1.00 0.00 H new ATOM 891 N GLN A 64 -6.490 -5.036 -4.596 1.00 0.00 N ATOM 892 CA GLN A 64 -5.556 -5.869 -3.859 1.00 0.00 C ATOM 893 C GLN A 64 -4.118 -5.541 -4.264 1.00 0.00 C ATOM 894 O GLN A 64 -3.767 -5.622 -5.440 1.00 0.00 O ATOM 895 CB GLN A 64 -5.860 -7.354 -4.071 1.00 0.00 C ATOM 896 CG GLN A 64 -4.876 -8.232 -3.295 1.00 0.00 C ATOM 897 CD GLN A 64 -5.073 -9.710 -3.636 1.00 0.00 C ATOM 898 OE1 GLN A 64 -5.928 -10.084 -4.423 1.00 0.00 O ATOM 899 NE2 GLN A 64 -4.239 -10.528 -3.001 1.00 0.00 N ATOM 0 H GLN A 64 -6.892 -5.476 -5.424 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.671 -5.656 -2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.878 -7.570 -3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.805 -7.592 -5.133 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.854 -7.934 -3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.014 -8.081 -2.224 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.546 -10.149 -2.355 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.292 -11.534 -3.160 1.00 0.00 H new ATOM 908 N ILE A 65 -3.324 -5.179 -3.267 1.00 0.00 N ATOM 909 CA ILE A 65 -1.931 -4.838 -3.505 1.00 0.00 C ATOM 910 C ILE A 65 -1.124 -6.122 -3.706 1.00 0.00 C ATOM 911 O ILE A 65 -0.910 -6.879 -2.761 1.00 0.00 O ATOM 912 CB ILE A 65 -1.398 -3.946 -2.383 1.00 0.00 C ATOM 913 CG1 ILE A 65 -2.291 -2.718 -2.188 1.00 0.00 C ATOM 914 CG2 ILE A 65 0.060 -3.560 -2.635 1.00 0.00 C ATOM 915 CD1 ILE A 65 -2.862 -2.675 -0.769 1.00 0.00 C ATOM 0 H ILE A 65 -3.618 -5.114 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.833 -4.253 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.424 -4.514 -1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.716 -1.812 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.106 -2.738 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.414 -2.926 -1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.671 -4.461 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.135 -3.018 -3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.493 -1.793 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.456 -3.571 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.045 -2.630 -0.049 1.00 0.00 H new ATOM 927 N VAL A 66 -0.697 -6.328 -4.944 1.00 0.00 N ATOM 928 CA VAL A 66 0.082 -7.507 -5.280 1.00 0.00 C ATOM 929 C VAL A 66 1.562 -7.129 -5.358 1.00 0.00 C ATOM 930 O VAL A 66 2.434 -7.980 -5.185 1.00 0.00 O ATOM 931 CB VAL A 66 -0.445 -8.130 -6.574 1.00 0.00 C ATOM 932 CG1 VAL A 66 -1.927 -8.488 -6.447 1.00 0.00 C ATOM 933 CG2 VAL A 66 -0.206 -7.202 -7.767 1.00 0.00 C ATOM 0 H VAL A 66 -0.876 -5.698 -5.726 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.019 -8.266 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 66 0.109 -9.052 -6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.276 -8.929 -7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.060 -9.204 -5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.502 -7.587 -6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.590 -7.669 -8.674 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.720 -6.256 -7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.863 -7.019 -7.878 1.00 0.00 H new ATOM 943 N GLU A 67 1.802 -5.853 -5.619 1.00 0.00 N ATOM 944 CA GLU A 67 3.162 -5.352 -5.722 1.00 0.00 C ATOM 945 C GLU A 67 3.223 -3.887 -5.285 1.00 0.00 C ATOM 946 O GLU A 67 2.260 -3.142 -5.462 1.00 0.00 O ATOM 947 CB GLU A 67 3.704 -5.524 -7.142 1.00 0.00 C ATOM 948 CG GLU A 67 5.052 -4.820 -7.304 1.00 0.00 C ATOM 949 CD GLU A 67 5.463 -4.754 -8.776 1.00 0.00 C ATOM 950 OE1 GLU A 67 4.655 -4.224 -9.568 1.00 0.00 O ATOM 951 OE2 GLU A 67 6.577 -5.236 -9.076 1.00 0.00 O ATOM 0 H GLU A 67 1.077 -5.150 -5.762 1.00 0.00 H new ATOM 0 HA GLU A 67 3.795 -5.936 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.815 -6.585 -7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.990 -5.119 -7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.991 -3.812 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.814 -5.351 -6.733 1.00 0.00 H new ATOM 958 N VAL A 68 4.365 -3.517 -4.724 1.00 0.00 N ATOM 959 CA VAL A 68 4.564 -2.154 -4.261 1.00 0.00 C ATOM 960 C VAL A 68 6.040 -1.779 -4.411 1.00 0.00 C ATOM 961 O VAL A 68 6.911 -2.438 -3.845 1.00 0.00 O ATOM 962 CB VAL A 68 4.052 -2.009 -2.827 1.00 0.00 C ATOM 963 CG1 VAL A 68 4.323 -0.602 -2.288 1.00 0.00 C ATOM 964 CG2 VAL A 68 2.564 -2.353 -2.737 1.00 0.00 C ATOM 0 H VAL A 68 5.162 -4.137 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 68 3.989 -1.456 -4.869 1.00 0.00 H new ATOM 0 HB VAL A 68 4.597 -2.718 -2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.949 -0.525 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.396 -0.409 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.817 0.132 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.226 -2.241 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.996 -1.681 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.408 -3.382 -3.060 1.00 0.00 H new ATOM 974 N ASN A 69 6.275 -0.724 -5.176 1.00 0.00 N ATOM 975 CA ASN A 69 7.630 -0.254 -5.407 1.00 0.00 C ATOM 976 C ASN A 69 8.501 -1.426 -5.861 1.00 0.00 C ATOM 977 O ASN A 69 9.714 -1.418 -5.658 1.00 0.00 O ATOM 978 CB ASN A 69 8.240 0.320 -4.127 1.00 0.00 C ATOM 979 CG ASN A 69 8.748 1.746 -4.353 1.00 0.00 C ATOM 980 OD1 ASN A 69 8.719 2.276 -5.451 1.00 0.00 O ATOM 981 ND2 ASN A 69 9.214 2.334 -3.255 1.00 0.00 N ATOM 0 H ASN A 69 5.550 -0.181 -5.644 1.00 0.00 H new ATOM 0 HA ASN A 69 7.591 0.525 -6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.495 0.317 -3.332 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.062 -0.314 -3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.576 3.286 -3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.209 1.833 -2.367 1.00 0.00 H new ATOM 988 N GLY A 70 7.848 -2.407 -6.468 1.00 0.00 N ATOM 989 CA GLY A 70 8.548 -3.585 -6.952 1.00 0.00 C ATOM 990 C GLY A 70 8.681 -4.636 -5.849 1.00 0.00 C ATOM 991 O GLY A 70 9.559 -5.496 -5.908 1.00 0.00 O ATOM 0 H GLY A 70 6.842 -2.410 -6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.010 -4.009 -7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.538 -3.302 -7.311 1.00 0.00 H new ATOM 995 N VAL A 71 7.797 -4.533 -4.868 1.00 0.00 N ATOM 996 CA VAL A 71 7.804 -5.465 -3.753 1.00 0.00 C ATOM 997 C VAL A 71 6.790 -6.579 -4.018 1.00 0.00 C ATOM 998 O VAL A 71 5.868 -6.408 -4.815 1.00 0.00 O ATOM 999 CB VAL A 71 7.541 -4.717 -2.444 1.00 0.00 C ATOM 1000 CG1 VAL A 71 7.521 -5.681 -1.256 1.00 0.00 C ATOM 1001 CG2 VAL A 71 8.572 -3.606 -2.232 1.00 0.00 C ATOM 0 H VAL A 71 7.071 -3.818 -4.822 1.00 0.00 H new ATOM 0 HA VAL A 71 8.783 -5.934 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 71 6.557 -4.253 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.332 -5.124 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.733 -6.420 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.484 -6.187 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.363 -3.090 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.571 -4.040 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.517 -2.896 -3.057 1.00 0.00 H new ATOM 1011 N ASP A 72 6.993 -7.696 -3.335 1.00 0.00 N ATOM 1012 CA ASP A 72 6.108 -8.838 -3.487 1.00 0.00 C ATOM 1013 C ASP A 72 5.023 -8.784 -2.410 1.00 0.00 C ATOM 1014 O ASP A 72 5.206 -9.306 -1.312 1.00 0.00 O ATOM 1015 CB ASP A 72 6.872 -10.153 -3.322 1.00 0.00 C ATOM 1016 CG ASP A 72 6.403 -11.292 -4.229 1.00 0.00 C ATOM 1017 OD1 ASP A 72 5.963 -10.976 -5.356 1.00 0.00 O ATOM 1018 OD2 ASP A 72 6.493 -12.453 -3.776 1.00 0.00 O ATOM 0 H ASP A 72 7.758 -7.834 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 72 5.673 -8.796 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.929 -9.968 -3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.788 -10.477 -2.285 1.00 0.00 H new ATOM 1023 N PHE A 73 3.916 -8.146 -2.762 1.00 0.00 N ATOM 1024 CA PHE A 73 2.801 -8.017 -1.839 1.00 0.00 C ATOM 1025 C PHE A 73 1.747 -9.095 -2.097 1.00 0.00 C ATOM 1026 O PHE A 73 0.606 -8.972 -1.654 1.00 0.00 O ATOM 1027 CB PHE A 73 2.177 -6.641 -2.082 1.00 0.00 C ATOM 1028 CG PHE A 73 2.768 -5.528 -1.215 1.00 0.00 C ATOM 1029 CD1 PHE A 73 4.104 -5.276 -1.249 1.00 0.00 C ATOM 1030 CD2 PHE A 73 1.956 -4.788 -0.412 1.00 0.00 C ATOM 1031 CE1 PHE A 73 4.652 -4.242 -0.444 1.00 0.00 C ATOM 1032 CE2 PHE A 73 2.505 -3.754 0.393 1.00 0.00 C ATOM 1033 CZ PHE A 73 3.841 -3.503 0.359 1.00 0.00 C ATOM 0 H PHE A 73 3.768 -7.713 -3.673 1.00 0.00 H new ATOM 0 HA PHE A 73 3.152 -8.130 -0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.304 -6.376 -3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.105 -6.702 -1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.748 -5.862 -1.888 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.895 -4.987 -0.387 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.713 -4.043 -0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.861 -3.167 1.032 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.258 -2.716 0.970 1.00 0.00 H new ATOM 1043 N SER A 74 2.167 -10.128 -2.813 1.00 0.00 N ATOM 1044 CA SER A 74 1.273 -11.228 -3.135 1.00 0.00 C ATOM 1045 C SER A 74 0.910 -11.997 -1.864 1.00 0.00 C ATOM 1046 O SER A 74 -0.181 -12.556 -1.762 1.00 0.00 O ATOM 1047 CB SER A 74 1.906 -12.168 -4.163 1.00 0.00 C ATOM 1048 OG SER A 74 1.008 -12.482 -5.224 1.00 0.00 O ATOM 0 H SER A 74 3.114 -10.227 -3.179 1.00 0.00 H new ATOM 0 HA SER A 74 0.364 -10.814 -3.572 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.804 -11.705 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.219 -13.088 -3.669 1.00 0.00 H new ATOM 0 HG SER A 74 1.450 -13.083 -5.860 1.00 0.00 H new ATOM 1054 N ASN A 75 1.846 -12.002 -0.926 1.00 0.00 N ATOM 1055 CA ASN A 75 1.639 -12.694 0.335 1.00 0.00 C ATOM 1056 C ASN A 75 2.399 -11.964 1.444 1.00 0.00 C ATOM 1057 O ASN A 75 3.224 -12.561 2.133 1.00 0.00 O ATOM 1058 CB ASN A 75 2.164 -14.130 0.268 1.00 0.00 C ATOM 1059 CG ASN A 75 1.514 -14.898 -0.885 1.00 0.00 C ATOM 1060 OD1 ASN A 75 0.304 -14.933 -1.037 1.00 0.00 O ATOM 1061 ND2 ASN A 75 2.382 -15.510 -1.684 1.00 0.00 N ATOM 0 H ASN A 75 2.750 -11.538 -1.014 1.00 0.00 H new ATOM 0 HA ASN A 75 0.568 -12.710 0.538 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.246 -14.120 0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.961 -14.640 1.210 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.048 -16.050 -2.482 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.383 -15.440 -1.499 1.00 0.00 H new ATOM 1068 N LEU A 76 2.094 -10.682 1.581 1.00 0.00 N ATOM 1069 CA LEU A 76 2.738 -9.864 2.595 1.00 0.00 C ATOM 1070 C LEU A 76 1.929 -9.935 3.891 1.00 0.00 C ATOM 1071 O LEU A 76 1.051 -10.785 4.034 1.00 0.00 O ATOM 1072 CB LEU A 76 2.949 -8.439 2.079 1.00 0.00 C ATOM 1073 CG LEU A 76 4.357 -8.107 1.582 1.00 0.00 C ATOM 1074 CD1 LEU A 76 4.482 -6.620 1.242 1.00 0.00 C ATOM 1075 CD2 LEU A 76 5.415 -8.554 2.594 1.00 0.00 C ATOM 0 H LEU A 76 1.410 -10.190 1.007 1.00 0.00 H new ATOM 0 HA LEU A 76 3.733 -10.248 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.246 -8.261 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.694 -7.743 2.878 1.00 0.00 H new ATOM 0 HG LEU A 76 4.535 -8.664 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.493 -6.411 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.766 -6.364 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.276 -6.025 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.407 -8.306 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.250 -8.043 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.342 -9.631 2.744 1.00 0.00 H new ATOM 1087 N ASP A 77 2.253 -9.031 4.804 1.00 0.00 N ATOM 1088 CA ASP A 77 1.568 -8.980 6.084 1.00 0.00 C ATOM 1089 C ASP A 77 1.129 -7.542 6.366 1.00 0.00 C ATOM 1090 O ASP A 77 1.521 -6.619 5.655 1.00 0.00 O ATOM 1091 CB ASP A 77 2.490 -9.425 7.221 1.00 0.00 C ATOM 1092 CG ASP A 77 1.835 -9.477 8.602 1.00 0.00 C ATOM 1093 OD1 ASP A 77 0.822 -10.199 8.723 1.00 0.00 O ATOM 1094 OD2 ASP A 77 2.362 -8.795 9.507 1.00 0.00 O ATOM 0 H ASP A 77 2.982 -8.328 4.682 1.00 0.00 H new ATOM 0 HA ASP A 77 0.709 -9.650 6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.883 -10.414 6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.342 -8.746 7.265 1.00 0.00 H new ATOM 1099 N HIS A 78 0.321 -7.397 7.406 1.00 0.00 N ATOM 1100 CA HIS A 78 -0.176 -6.087 7.791 1.00 0.00 C ATOM 1101 C HIS A 78 0.962 -5.266 8.400 1.00 0.00 C ATOM 1102 O HIS A 78 0.794 -4.080 8.684 1.00 0.00 O ATOM 1103 CB HIS A 78 -1.380 -6.216 8.726 1.00 0.00 C ATOM 1104 CG HIS A 78 -2.093 -4.911 8.992 1.00 0.00 C ATOM 1105 ND1 HIS A 78 -1.648 -3.991 9.925 1.00 0.00 N ATOM 1106 CD2 HIS A 78 -3.222 -4.383 8.438 1.00 0.00 C ATOM 1107 CE1 HIS A 78 -2.480 -2.960 9.925 1.00 0.00 C ATOM 1108 NE2 HIS A 78 -3.455 -3.205 9.003 1.00 0.00 N ATOM 0 H HIS A 78 -0.002 -8.165 7.994 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.530 -5.554 6.908 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.088 -6.924 8.295 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -1.047 -6.636 9.675 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.824 -4.845 7.670 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.400 -2.080 10.546 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -4.235 -2.585 8.784 1.00 0.00 H new ATOM 1116 N LYS A 79 2.095 -5.928 8.583 1.00 0.00 N ATOM 1117 CA LYS A 79 3.260 -5.274 9.153 1.00 0.00 C ATOM 1118 C LYS A 79 4.316 -5.081 8.062 1.00 0.00 C ATOM 1119 O LYS A 79 5.009 -4.065 8.037 1.00 0.00 O ATOM 1120 CB LYS A 79 3.768 -6.049 10.370 1.00 0.00 C ATOM 1121 CG LYS A 79 2.703 -6.107 11.467 1.00 0.00 C ATOM 1122 CD LYS A 79 3.195 -5.424 12.745 1.00 0.00 C ATOM 1123 CE LYS A 79 2.999 -6.331 13.961 1.00 0.00 C ATOM 1124 NZ LYS A 79 3.298 -5.595 15.210 1.00 0.00 N ATOM 0 H LYS A 79 2.231 -6.911 8.346 1.00 0.00 H new ATOM 0 HA LYS A 79 2.998 -4.283 9.522 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.044 -7.061 10.072 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.669 -5.574 10.758 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.791 -5.622 11.119 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.451 -7.146 11.679 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.250 -5.170 12.643 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.655 -4.489 12.893 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.973 -6.700 13.986 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.649 -7.202 13.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.160 -6.225 16.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.284 -5.264 15.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.660 -4.777 15.292 1.00 0.00 H new ATOM 1138 N GLU A 80 4.405 -6.072 7.188 1.00 0.00 N ATOM 1139 CA GLU A 80 5.365 -6.024 6.098 1.00 0.00 C ATOM 1140 C GLU A 80 4.851 -5.117 4.978 1.00 0.00 C ATOM 1141 O GLU A 80 5.623 -4.381 4.366 1.00 0.00 O ATOM 1142 CB GLU A 80 5.667 -7.428 5.571 1.00 0.00 C ATOM 1143 CG GLU A 80 6.284 -8.303 6.664 1.00 0.00 C ATOM 1144 CD GLU A 80 7.784 -8.494 6.431 1.00 0.00 C ATOM 1145 OE1 GLU A 80 8.511 -7.484 6.555 1.00 0.00 O ATOM 1146 OE2 GLU A 80 8.171 -9.646 6.136 1.00 0.00 O ATOM 0 H GLU A 80 3.828 -6.913 7.212 1.00 0.00 H new ATOM 0 HA GLU A 80 6.297 -5.606 6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.749 -7.889 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.349 -7.363 4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.119 -7.844 7.639 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.788 -9.274 6.681 1.00 0.00 H new ATOM 1153 N ALA A 81 3.549 -5.200 4.743 1.00 0.00 N ATOM 1154 CA ALA A 81 2.923 -4.396 3.707 1.00 0.00 C ATOM 1155 C ALA A 81 2.922 -2.928 4.138 1.00 0.00 C ATOM 1156 O ALA A 81 2.990 -2.031 3.299 1.00 0.00 O ATOM 1157 CB ALA A 81 1.514 -4.925 3.433 1.00 0.00 C ATOM 0 H ALA A 81 2.911 -5.812 5.252 1.00 0.00 H new ATOM 0 HA ALA A 81 3.484 -4.465 2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.044 -4.322 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.573 -5.962 3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.920 -4.868 4.345 1.00 0.00 H new ATOM 1163 N VAL A 82 2.843 -2.729 5.446 1.00 0.00 N ATOM 1164 CA VAL A 82 2.832 -1.385 5.998 1.00 0.00 C ATOM 1165 C VAL A 82 4.262 -0.843 6.040 1.00 0.00 C ATOM 1166 O VAL A 82 4.517 0.281 5.612 1.00 0.00 O ATOM 1167 CB VAL A 82 2.153 -1.389 7.370 1.00 0.00 C ATOM 1168 CG1 VAL A 82 2.534 -0.143 8.173 1.00 0.00 C ATOM 1169 CG2 VAL A 82 0.634 -1.508 7.230 1.00 0.00 C ATOM 0 H VAL A 82 2.786 -3.476 6.139 1.00 0.00 H new ATOM 0 HA VAL A 82 2.250 -0.716 5.364 1.00 0.00 H new ATOM 0 HB VAL A 82 2.508 -2.262 7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.039 -0.170 9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.614 -0.119 8.317 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.221 0.749 7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.176 -1.509 8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.254 -0.663 6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.388 -2.437 6.716 1.00 0.00 H new ATOM 1179 N ASN A 83 5.158 -1.669 6.561 1.00 0.00 N ATOM 1180 CA ASN A 83 6.556 -1.287 6.665 1.00 0.00 C ATOM 1181 C ASN A 83 7.070 -0.868 5.286 1.00 0.00 C ATOM 1182 O ASN A 83 7.736 0.157 5.153 1.00 0.00 O ATOM 1183 CB ASN A 83 7.412 -2.457 7.153 1.00 0.00 C ATOM 1184 CG ASN A 83 8.881 -2.047 7.279 1.00 0.00 C ATOM 1185 OD1 ASN A 83 9.213 -0.901 7.532 1.00 0.00 O ATOM 1186 ND2 ASN A 83 9.739 -3.045 7.088 1.00 0.00 N ATOM 0 H ASN A 83 4.943 -2.601 6.915 1.00 0.00 H new ATOM 0 HA ASN A 83 6.629 -0.465 7.377 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.044 -2.804 8.118 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.322 -3.292 6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.743 -2.874 7.150 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.393 -3.982 6.879 1.00 0.00 H new ATOM 1193 N VAL A 84 6.739 -1.683 4.294 1.00 0.00 N ATOM 1194 CA VAL A 84 7.159 -1.410 2.930 1.00 0.00 C ATOM 1195 C VAL A 84 6.439 -0.159 2.420 1.00 0.00 C ATOM 1196 O VAL A 84 6.932 0.522 1.523 1.00 0.00 O ATOM 1197 CB VAL A 84 6.916 -2.639 2.052 1.00 0.00 C ATOM 1198 CG1 VAL A 84 7.194 -2.325 0.581 1.00 0.00 C ATOM 1199 CG2 VAL A 84 7.755 -3.827 2.528 1.00 0.00 C ATOM 0 H VAL A 84 6.185 -2.532 4.408 1.00 0.00 H new ATOM 0 HA VAL A 84 8.229 -1.207 2.893 1.00 0.00 H new ATOM 0 HB VAL A 84 5.865 -2.914 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.014 -3.215 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.535 -1.523 0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.232 -2.013 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.564 -4.688 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.813 -3.568 2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.487 -4.073 3.555 1.00 0.00 H new ATOM 1209 N LEU A 85 5.285 0.104 3.015 1.00 0.00 N ATOM 1210 CA LEU A 85 4.493 1.260 2.633 1.00 0.00 C ATOM 1211 C LEU A 85 5.053 2.507 3.320 1.00 0.00 C ATOM 1212 O LEU A 85 5.128 3.574 2.713 1.00 0.00 O ATOM 1213 CB LEU A 85 3.010 1.013 2.921 1.00 0.00 C ATOM 1214 CG LEU A 85 2.222 0.306 1.817 1.00 0.00 C ATOM 1215 CD1 LEU A 85 0.793 0.002 2.272 1.00 0.00 C ATOM 1216 CD2 LEU A 85 2.249 1.116 0.519 1.00 0.00 C ATOM 0 H LEU A 85 4.880 -0.464 3.759 1.00 0.00 H new ATOM 0 HA LEU A 85 4.562 1.430 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.931 0.421 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.534 1.973 3.122 1.00 0.00 H new ATOM 0 HG LEU A 85 2.705 -0.649 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.255 -0.501 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.820 -0.644 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.285 0.933 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.681 0.591 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.805 2.096 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.280 1.239 0.188 1.00 0.00 H new ATOM 1228 N LYS A 86 5.432 2.331 4.577 1.00 0.00 N ATOM 1229 CA LYS A 86 5.983 3.429 5.354 1.00 0.00 C ATOM 1230 C LYS A 86 7.481 3.548 5.068 1.00 0.00 C ATOM 1231 O LYS A 86 8.150 4.433 5.599 1.00 0.00 O ATOM 1232 CB LYS A 86 5.652 3.255 6.837 1.00 0.00 C ATOM 1233 CG LYS A 86 6.706 2.393 7.537 1.00 0.00 C ATOM 1234 CD LYS A 86 6.287 2.073 8.973 1.00 0.00 C ATOM 1235 CE LYS A 86 5.147 1.053 8.997 1.00 0.00 C ATOM 1236 NZ LYS A 86 5.427 -0.015 9.983 1.00 0.00 N ATOM 0 H LYS A 86 5.369 1.444 5.077 1.00 0.00 H new ATOM 0 HA LYS A 86 5.525 4.373 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.598 4.232 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.671 2.793 6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.850 1.466 6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.663 2.915 7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.141 1.682 9.526 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.972 2.987 9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.211 1.551 9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.020 0.617 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.578 -0.601 10.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.209 -0.608 9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.692 0.413 10.893 1.00 0.00 H new ATOM 1250 N SER A 87 7.965 2.644 4.229 1.00 0.00 N ATOM 1251 CA SER A 87 9.372 2.636 3.866 1.00 0.00 C ATOM 1252 C SER A 87 9.774 4.000 3.300 1.00 0.00 C ATOM 1253 O SER A 87 10.562 4.721 3.910 1.00 0.00 O ATOM 1254 CB SER A 87 9.673 1.532 2.851 1.00 0.00 C ATOM 1255 OG SER A 87 11.073 1.310 2.703 1.00 0.00 O ATOM 0 H SER A 87 7.407 1.911 3.790 1.00 0.00 H new ATOM 0 HA SER A 87 9.955 2.435 4.765 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.191 0.607 3.168 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.244 1.801 1.885 1.00 0.00 H new ATOM 0 HG SER A 87 11.224 0.597 2.048 1.00 0.00 H new ATOM 1261 N SER A 88 9.213 4.313 2.141 1.00 0.00 N ATOM 1262 CA SER A 88 9.503 5.578 1.487 1.00 0.00 C ATOM 1263 C SER A 88 8.199 6.288 1.120 1.00 0.00 C ATOM 1264 O SER A 88 7.113 5.749 1.332 1.00 0.00 O ATOM 1265 CB SER A 88 10.362 5.368 0.238 1.00 0.00 C ATOM 1266 OG SER A 88 11.260 6.452 0.019 1.00 0.00 O ATOM 0 H SER A 88 8.559 3.713 1.638 1.00 0.00 H new ATOM 0 HA SER A 88 10.066 6.201 2.182 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.929 4.443 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.715 5.252 -0.632 1.00 0.00 H new ATOM 0 HG SER A 88 11.791 6.279 -0.786 1.00 0.00 H new ATOM 1272 N ARG A 89 8.348 7.487 0.577 1.00 0.00 N ATOM 1273 CA ARG A 89 7.195 8.277 0.180 1.00 0.00 C ATOM 1274 C ARG A 89 6.701 7.838 -1.201 1.00 0.00 C ATOM 1275 O ARG A 89 5.548 7.439 -1.353 1.00 0.00 O ATOM 1276 CB ARG A 89 7.536 9.768 0.141 1.00 0.00 C ATOM 1277 CG ARG A 89 8.267 10.197 1.415 1.00 0.00 C ATOM 1278 CD ARG A 89 7.328 10.170 2.622 1.00 0.00 C ATOM 1279 NE ARG A 89 8.110 10.270 3.874 1.00 0.00 N ATOM 1280 CZ ARG A 89 8.637 11.409 4.343 1.00 0.00 C ATOM 1281 NH1 ARG A 89 8.469 12.553 3.665 1.00 0.00 N ATOM 1282 NH2 ARG A 89 9.332 11.405 5.488 1.00 0.00 N ATOM 0 H ARG A 89 9.250 7.931 0.403 1.00 0.00 H new ATOM 0 HA ARG A 89 6.411 8.114 0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.158 9.980 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.622 10.351 0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.113 9.534 1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.671 11.201 1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.619 10.995 2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.746 9.248 2.620 1.00 0.00 H new ATOM 0 HE ARG A 89 8.257 9.418 4.414 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.940 12.556 2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.870 13.421 4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.460 10.534 6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.733 12.273 5.844 1.00 0.00 H new ATOM 1296 N SER A 90 7.599 7.927 -2.171 1.00 0.00 N ATOM 1297 CA SER A 90 7.269 7.544 -3.533 1.00 0.00 C ATOM 1298 C SER A 90 7.316 6.021 -3.674 1.00 0.00 C ATOM 1299 O SER A 90 8.392 5.425 -3.649 1.00 0.00 O ATOM 1300 CB SER A 90 8.221 8.199 -4.535 1.00 0.00 C ATOM 1301 OG SER A 90 9.416 8.663 -3.912 1.00 0.00 O ATOM 0 H SER A 90 8.555 8.259 -2.041 1.00 0.00 H new ATOM 0 HA SER A 90 6.259 7.892 -3.751 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.474 7.482 -5.316 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.717 9.035 -5.020 1.00 0.00 H new ATOM 0 HG SER A 90 9.998 9.073 -4.585 1.00 0.00 H new ATOM 1307 N LEU A 91 6.136 5.436 -3.819 1.00 0.00 N ATOM 1308 CA LEU A 91 6.029 3.994 -3.965 1.00 0.00 C ATOM 1309 C LEU A 91 5.090 3.671 -5.129 1.00 0.00 C ATOM 1310 O LEU A 91 4.101 4.370 -5.344 1.00 0.00 O ATOM 1311 CB LEU A 91 5.611 3.352 -2.641 1.00 0.00 C ATOM 1312 CG LEU A 91 6.519 3.634 -1.442 1.00 0.00 C ATOM 1313 CD1 LEU A 91 5.719 4.216 -0.274 1.00 0.00 C ATOM 1314 CD2 LEU A 91 7.296 2.381 -1.035 1.00 0.00 C ATOM 0 H LEU A 91 5.246 5.934 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 91 7.000 3.563 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.605 3.692 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.557 2.273 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 91 7.252 4.385 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.388 4.407 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.249 5.149 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.950 3.506 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.933 2.610 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.596 1.591 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.913 2.049 -1.870 1.00 0.00 H new ATOM 1326 N THR A 92 5.433 2.613 -5.848 1.00 0.00 N ATOM 1327 CA THR A 92 4.633 2.189 -6.984 1.00 0.00 C ATOM 1328 C THR A 92 3.798 0.959 -6.620 1.00 0.00 C ATOM 1329 O THR A 92 4.310 -0.159 -6.600 1.00 0.00 O ATOM 1330 CB THR A 92 5.576 1.955 -8.166 1.00 0.00 C ATOM 1331 OG1 THR A 92 6.003 3.264 -8.534 1.00 0.00 O ATOM 1332 CG2 THR A 92 4.844 1.439 -9.406 1.00 0.00 C ATOM 0 H THR A 92 6.254 2.036 -5.666 1.00 0.00 H new ATOM 0 HA THR A 92 3.915 2.957 -7.270 1.00 0.00 H new ATOM 0 HB THR A 92 6.349 1.242 -7.878 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.221 3.816 -8.745 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.559 1.290 -10.215 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.357 0.492 -9.173 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.094 2.167 -9.715 1.00 0.00 H new ATOM 1340 N ILE A 93 2.527 1.208 -6.341 1.00 0.00 N ATOM 1341 CA ILE A 93 1.617 0.135 -5.979 1.00 0.00 C ATOM 1342 C ILE A 93 0.969 -0.428 -7.245 1.00 0.00 C ATOM 1343 O ILE A 93 0.496 0.327 -8.093 1.00 0.00 O ATOM 1344 CB ILE A 93 0.608 0.618 -4.935 1.00 0.00 C ATOM 1345 CG1 ILE A 93 1.320 1.195 -3.710 1.00 0.00 C ATOM 1346 CG2 ILE A 93 -0.368 -0.499 -4.557 1.00 0.00 C ATOM 1347 CD1 ILE A 93 0.471 2.277 -3.040 1.00 0.00 C ATOM 0 H ILE A 93 2.106 2.137 -6.358 1.00 0.00 H new ATOM 0 HA ILE A 93 2.162 -0.683 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 93 0.021 1.424 -5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.528 0.397 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.281 1.615 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.074 -0.129 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.912 -0.823 -5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.186 -1.342 -4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.001 2.670 -2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.286 3.085 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.479 1.849 -2.721 1.00 0.00 H new ATOM 1359 N SER A 94 0.968 -1.750 -7.334 1.00 0.00 N ATOM 1360 CA SER A 94 0.386 -2.423 -8.482 1.00 0.00 C ATOM 1361 C SER A 94 -0.832 -3.240 -8.048 1.00 0.00 C ATOM 1362 O SER A 94 -0.688 -4.321 -7.479 1.00 0.00 O ATOM 1363 CB SER A 94 1.413 -3.325 -9.171 1.00 0.00 C ATOM 1364 OG SER A 94 1.774 -2.836 -10.459 1.00 0.00 O ATOM 0 H SER A 94 1.361 -2.373 -6.629 1.00 0.00 H new ATOM 0 HA SER A 94 0.070 -1.665 -9.199 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.305 -3.400 -8.549 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.005 -4.331 -9.267 1.00 0.00 H new ATOM 0 HG SER A 94 2.432 -3.438 -10.865 1.00 0.00 H new ATOM 1370 N ILE A 95 -2.004 -2.693 -8.334 1.00 0.00 N ATOM 1371 CA ILE A 95 -3.247 -3.358 -7.981 1.00 0.00 C ATOM 1372 C ILE A 95 -3.874 -3.961 -9.239 1.00 0.00 C ATOM 1373 O ILE A 95 -3.456 -3.652 -10.354 1.00 0.00 O ATOM 1374 CB ILE A 95 -4.173 -2.398 -7.231 1.00 0.00 C ATOM 1375 CG1 ILE A 95 -4.365 -1.098 -8.014 1.00 0.00 C ATOM 1376 CG2 ILE A 95 -3.666 -2.143 -5.811 1.00 0.00 C ATOM 1377 CD1 ILE A 95 -5.833 -0.665 -8.006 1.00 0.00 C ATOM 0 H ILE A 95 -2.119 -1.796 -8.806 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.056 -4.183 -7.294 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.152 -2.868 -7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.748 -0.312 -7.578 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.028 -1.235 -9.042 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.343 -1.458 -5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.624 -3.085 -5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.669 -1.704 -5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.942 0.262 -8.569 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.444 -1.442 -8.464 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.160 -0.505 -6.978 1.00 0.00 H new ATOM 1389 N VAL A 96 -4.867 -4.810 -9.019 1.00 0.00 N ATOM 1390 CA VAL A 96 -5.555 -5.459 -10.121 1.00 0.00 C ATOM 1391 C VAL A 96 -6.926 -4.808 -10.315 1.00 0.00 C ATOM 1392 O VAL A 96 -7.869 -5.459 -10.761 1.00 0.00 O ATOM 1393 CB VAL A 96 -5.640 -6.966 -9.871 1.00 0.00 C ATOM 1394 CG1 VAL A 96 -6.490 -7.653 -10.941 1.00 0.00 C ATOM 1395 CG2 VAL A 96 -4.244 -7.589 -9.797 1.00 0.00 C ATOM 0 H VAL A 96 -5.211 -5.063 -8.093 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.998 -5.328 -11.049 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.127 -7.118 -8.908 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.534 -8.723 -10.739 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.498 -7.239 -10.926 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.045 -7.487 -11.922 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.333 -8.661 -9.619 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.720 -7.420 -10.738 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.684 -7.131 -8.982 1.00 0.00 H new ATOM 1405 N ALA A 97 -6.992 -3.530 -9.970 1.00 0.00 N ATOM 1406 CA ALA A 97 -8.232 -2.783 -10.101 1.00 0.00 C ATOM 1407 C ALA A 97 -9.388 -3.624 -9.556 1.00 0.00 C ATOM 1408 O ALA A 97 -9.956 -4.445 -10.274 1.00 0.00 O ATOM 1409 CB ALA A 97 -8.438 -2.387 -11.564 1.00 0.00 C ATOM 0 H ALA A 97 -6.207 -2.993 -9.600 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.189 -1.863 -9.518 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.368 -1.827 -11.662 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.604 -1.767 -11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.489 -3.285 -12.180 1.00 0.00 H new ATOM 1415 N ALA A 98 -9.703 -3.389 -8.290 1.00 0.00 N ATOM 1416 CA ALA A 98 -10.782 -4.114 -7.640 1.00 0.00 C ATOM 1417 C ALA A 98 -10.550 -5.618 -7.803 1.00 0.00 C ATOM 1418 O ALA A 98 -11.420 -6.334 -8.298 1.00 0.00 O ATOM 1419 CB ALA A 98 -12.123 -3.665 -8.223 1.00 0.00 C ATOM 0 H ALA A 98 -9.230 -2.707 -7.697 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.802 -3.897 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.932 -4.209 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.252 -2.596 -8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.141 -3.870 -9.293 1.00 0.00 H new ATOM 1425 N ALA A 99 -9.373 -6.052 -7.378 1.00 0.00 N ATOM 1426 CA ALA A 99 -9.016 -7.458 -7.471 1.00 0.00 C ATOM 1427 C ALA A 99 -9.976 -8.281 -6.609 1.00 0.00 C ATOM 1428 O ALA A 99 -10.803 -9.025 -7.133 1.00 0.00 O ATOM 1429 CB ALA A 99 -7.555 -7.642 -7.055 1.00 0.00 C ATOM 0 H ALA A 99 -8.654 -5.455 -6.968 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.110 -7.811 -8.498 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.287 -8.696 -7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.913 -7.060 -7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.423 -7.301 -6.028 1.00 0.00 H new ATOM 1435 N GLY A 100 -9.833 -8.120 -5.302 1.00 0.00 N ATOM 1436 CA GLY A 100 -10.677 -8.839 -4.363 1.00 0.00 C ATOM 1437 C GLY A 100 -11.769 -7.929 -3.799 1.00 0.00 C ATOM 1438 O GLY A 100 -11.845 -7.720 -2.589 1.00 0.00 O ATOM 0 H GLY A 100 -9.145 -7.502 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.133 -9.695 -4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.068 -9.231 -3.548 1.00 0.00 H new ATOM 1442 N ARG A 101 -12.588 -7.411 -4.703 1.00 0.00 N ATOM 1443 CA ARG A 101 -13.673 -6.527 -4.311 1.00 0.00 C ATOM 1444 C ARG A 101 -14.768 -7.318 -3.591 1.00 0.00 C ATOM 1445 O ARG A 101 -15.516 -6.760 -2.790 1.00 0.00 O ATOM 1446 CB ARG A 101 -14.278 -5.824 -5.527 1.00 0.00 C ATOM 1447 CG ARG A 101 -14.148 -4.304 -5.403 1.00 0.00 C ATOM 1448 CD ARG A 101 -15.175 -3.592 -6.285 1.00 0.00 C ATOM 1449 NE ARG A 101 -14.674 -2.252 -6.664 1.00 0.00 N ATOM 1450 CZ ARG A 101 -15.151 -1.534 -7.690 1.00 0.00 C ATOM 1451 NH1 ARG A 101 -16.144 -2.023 -8.446 1.00 0.00 N ATOM 1452 NH2 ARG A 101 -14.636 -0.327 -7.961 1.00 0.00 N ATOM 0 H ARG A 101 -12.522 -7.587 -5.706 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.261 -5.775 -3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.777 -6.163 -6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -15.329 -6.096 -5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.288 -4.007 -4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.142 -3.997 -5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -15.370 -4.183 -7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -16.121 -3.498 -5.752 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.918 -1.850 -6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -16.537 -2.942 -8.240 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -16.507 -1.476 -9.227 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -13.880 0.046 -7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.000 0.219 -8.742 1.00 0.00 H new ATOM 1466 N GLU A 102 -14.826 -8.604 -3.902 1.00 0.00 N ATOM 1467 CA GLU A 102 -15.817 -9.477 -3.295 1.00 0.00 C ATOM 1468 C GLU A 102 -15.539 -9.635 -1.799 1.00 0.00 C ATOM 1469 O GLU A 102 -16.456 -9.878 -1.016 1.00 0.00 O ATOM 1470 CB GLU A 102 -15.850 -10.838 -3.993 1.00 0.00 C ATOM 1471 CG GLU A 102 -14.458 -11.472 -4.025 1.00 0.00 C ATOM 1472 CD GLU A 102 -14.123 -11.990 -5.425 1.00 0.00 C ATOM 1473 OE1 GLU A 102 -14.556 -13.122 -5.730 1.00 0.00 O ATOM 1474 OE2 GLU A 102 -13.441 -11.242 -6.159 1.00 0.00 O ATOM 0 H GLU A 102 -14.203 -9.063 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.799 -9.020 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.543 -11.500 -3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -16.223 -10.720 -5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.713 -10.738 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.412 -12.293 -3.309 1.00 0.00 H new ATOM 1481 N LEU A 103 -14.270 -9.491 -1.446 1.00 0.00 N ATOM 1482 CA LEU A 103 -13.860 -9.614 -0.058 1.00 0.00 C ATOM 1483 C LEU A 103 -14.695 -8.664 0.802 1.00 0.00 C ATOM 1484 O LEU A 103 -15.085 -9.010 1.917 1.00 0.00 O ATOM 1485 CB LEU A 103 -12.351 -9.400 0.076 1.00 0.00 C ATOM 1486 CG LEU A 103 -11.472 -10.614 -0.228 1.00 0.00 C ATOM 1487 CD1 LEU A 103 -9.999 -10.310 0.057 1.00 0.00 C ATOM 1488 CD2 LEU A 103 -11.959 -11.849 0.533 1.00 0.00 C ATOM 0 H LEU A 103 -13.512 -9.290 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 103 -14.049 -10.624 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.059 -8.589 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.140 -9.069 1.093 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.555 -10.837 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.396 -11.190 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.672 -9.477 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.879 -10.046 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.316 -12.698 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.925 -11.653 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.983 -12.077 0.239 1.00 0.00 H new ATOM 1500 N PHE A 104 -14.946 -7.485 0.252 1.00 0.00 N ATOM 1501 CA PHE A 104 -15.728 -6.482 0.955 1.00 0.00 C ATOM 1502 C PHE A 104 -17.138 -6.376 0.370 1.00 0.00 C ATOM 1503 O PHE A 104 -17.576 -5.292 -0.011 1.00 0.00 O ATOM 1504 CB PHE A 104 -15.010 -5.144 0.770 1.00 0.00 C ATOM 1505 CG PHE A 104 -13.526 -5.178 1.140 1.00 0.00 C ATOM 1506 CD1 PHE A 104 -13.138 -4.935 2.421 1.00 0.00 C ATOM 1507 CD2 PHE A 104 -12.594 -5.452 0.188 1.00 0.00 C ATOM 1508 CE1 PHE A 104 -11.761 -4.967 2.764 1.00 0.00 C ATOM 1509 CE2 PHE A 104 -11.216 -5.484 0.531 1.00 0.00 C ATOM 1510 CZ PHE A 104 -10.829 -5.240 1.812 1.00 0.00 C ATOM 0 H PHE A 104 -14.622 -7.202 -0.673 1.00 0.00 H new ATOM 0 HA PHE A 104 -15.820 -6.752 2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -15.108 -4.832 -0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -15.508 -4.389 1.378 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.878 -4.718 3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.902 -5.645 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.453 -4.775 3.781 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.476 -5.702 -0.225 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.781 -5.263 2.073 1.00 0.00 H new