USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 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 50 THR OG1 : rot -70:sc= -0.0337 USER MOD Set 1.2: A 57 GLN : amide:sc= -4.19! C(o=-4.2!,f=-14!) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc=-0.00437 (180deg=-0.139) USER MOD Single : A 25 ASN : amide:sc= -0.0242 X(o=-0.024,f=-0.2) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= -0.693 (180deg=-1.67!) USER MOD Single : A 27 THR OG1 : rot -85:sc= 0.554 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 86:sc= 0.874 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.272 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= -0.627 (180deg=-1.24) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -112:sc= -0.846 (180deg=-3.56!) USER MOD Single : A 47 HIS :FLIP no HE2:sc= 0.019 F(o=-0.97,f=0.019) USER MOD Single : A 48 SER OG : rot 100:sc=0.000761 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -107:sc= -0.0101 (180deg=-0.85) USER MOD Single : A 60 MET CE :methyl 145:sc= -0.846 (180deg=-2.92!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -0:sc= 0.944 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 178:sc= 0 (180deg=-0.00812) USER MOD ----------------------------------------------------------------- ATOM 154 N GLU A 16 11.652 8.561 -9.743 1.00 0.00 N ATOM 155 CA GLU A 16 11.136 7.209 -9.870 1.00 0.00 C ATOM 156 C GLU A 16 10.387 6.805 -8.599 1.00 0.00 C ATOM 157 O GLU A 16 10.958 6.808 -7.510 1.00 0.00 O ATOM 158 CB GLU A 16 12.261 6.220 -10.182 1.00 0.00 C ATOM 159 CG GLU A 16 11.708 4.942 -10.815 1.00 0.00 C ATOM 160 CD GLU A 16 12.329 3.699 -10.173 1.00 0.00 C ATOM 161 OE1 GLU A 16 13.560 3.539 -10.321 1.00 0.00 O ATOM 162 OE2 GLU A 16 11.558 2.938 -9.549 1.00 0.00 O ATOM 0 HA GLU A 16 10.435 7.185 -10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.980 6.683 -10.858 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.798 5.973 -9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.625 4.913 -10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.913 4.944 -11.886 1.00 0.00 H new ATOM 169 N LEU A 17 9.119 6.466 -8.780 1.00 0.00 N ATOM 170 CA LEU A 17 8.285 6.059 -7.661 1.00 0.00 C ATOM 171 C LEU A 17 9.103 5.176 -6.717 1.00 0.00 C ATOM 172 O LEU A 17 10.034 4.496 -7.147 1.00 0.00 O ATOM 173 CB LEU A 17 7.000 5.399 -8.163 1.00 0.00 C ATOM 174 CG LEU A 17 6.209 6.183 -9.213 1.00 0.00 C ATOM 175 CD1 LEU A 17 6.326 7.689 -8.976 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.637 5.790 -10.628 1.00 0.00 C ATOM 0 H LEU A 17 8.648 6.465 -9.685 1.00 0.00 H new ATOM 0 HA LEU A 17 7.965 6.929 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.255 4.425 -8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.350 5.218 -7.307 1.00 0.00 H new ATOM 0 HG LEU A 17 5.155 5.923 -9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.755 8.222 -9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.934 7.934 -7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.373 7.986 -9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.060 6.362 -11.355 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.698 6.003 -10.759 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.459 4.725 -10.780 1.00 0.00 H new ATOM 188 N VAL A 18 8.725 5.213 -5.448 1.00 0.00 N ATOM 189 CA VAL A 18 9.411 4.424 -4.439 1.00 0.00 C ATOM 190 C VAL A 18 8.854 2.999 -4.446 1.00 0.00 C ATOM 191 O VAL A 18 7.692 2.785 -4.788 1.00 0.00 O ATOM 192 CB VAL A 18 9.294 5.105 -3.073 1.00 0.00 C ATOM 193 CG1 VAL A 18 7.829 5.364 -2.714 1.00 0.00 C ATOM 194 CG2 VAL A 18 9.987 4.279 -1.988 1.00 0.00 C ATOM 0 H VAL A 18 7.952 5.777 -5.095 1.00 0.00 H new ATOM 0 HA VAL A 18 10.475 4.358 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 18 9.799 6.069 -3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.773 5.848 -1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.379 6.011 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.290 4.417 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.889 4.785 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.523 3.294 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.043 4.168 -2.234 1.00 0.00 H new ATOM 204 N ASP A 19 9.709 2.062 -4.065 1.00 0.00 N ATOM 205 CA ASP A 19 9.317 0.663 -4.023 1.00 0.00 C ATOM 206 C ASP A 19 8.712 0.348 -2.654 1.00 0.00 C ATOM 207 O ASP A 19 9.362 0.536 -1.626 1.00 0.00 O ATOM 208 CB ASP A 19 10.525 -0.253 -4.229 1.00 0.00 C ATOM 209 CG ASP A 19 10.214 -1.590 -4.906 1.00 0.00 C ATOM 210 OD1 ASP A 19 9.008 -1.889 -5.044 1.00 0.00 O ATOM 211 OD2 ASP A 19 11.189 -2.283 -5.268 1.00 0.00 O ATOM 0 H ASP A 19 10.672 2.244 -3.782 1.00 0.00 H new ATOM 0 HA ASP A 19 8.594 0.491 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.266 0.277 -4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.981 -0.451 -3.259 1.00 0.00 H new ATOM 216 N LEU A 20 7.476 -0.126 -2.684 1.00 0.00 N ATOM 217 CA LEU A 20 6.776 -0.469 -1.457 1.00 0.00 C ATOM 218 C LEU A 20 6.056 -1.807 -1.643 1.00 0.00 C ATOM 219 O LEU A 20 5.558 -2.102 -2.728 1.00 0.00 O ATOM 220 CB LEU A 20 5.851 0.672 -1.031 1.00 0.00 C ATOM 221 CG LEU A 20 6.508 2.046 -0.878 1.00 0.00 C ATOM 222 CD1 LEU A 20 5.456 3.136 -0.667 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.552 2.033 0.240 1.00 0.00 C ATOM 0 H LEU A 20 6.941 -0.281 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 20 7.484 -0.598 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.048 0.755 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.390 0.404 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 20 7.032 2.279 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.949 4.102 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.784 3.164 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.884 2.920 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.004 3.021 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.073 1.768 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.325 1.300 0.008 1.00 0.00 H new ATOM 235 N LYS A 21 6.025 -2.580 -0.568 1.00 0.00 N ATOM 236 CA LYS A 21 5.375 -3.879 -0.598 1.00 0.00 C ATOM 237 C LYS A 21 4.051 -3.800 0.164 1.00 0.00 C ATOM 238 O LYS A 21 4.012 -3.328 1.300 1.00 0.00 O ATOM 239 CB LYS A 21 6.320 -4.964 -0.078 1.00 0.00 C ATOM 240 CG LYS A 21 6.970 -5.725 -1.235 1.00 0.00 C ATOM 241 CD LYS A 21 8.473 -5.899 -1.002 1.00 0.00 C ATOM 242 CE LYS A 21 9.149 -6.523 -2.225 1.00 0.00 C ATOM 243 NZ LYS A 21 9.216 -5.547 -3.335 1.00 0.00 N ATOM 0 H LYS A 21 6.440 -2.332 0.330 1.00 0.00 H new ATOM 0 HA LYS A 21 5.137 -4.161 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.092 -4.511 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.768 -5.659 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.499 -6.702 -1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.803 -5.187 -2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.926 -4.931 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.639 -6.530 -0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.154 -6.854 -1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.595 -7.406 -2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.875 -5.892 -4.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.271 -5.431 -3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.549 -4.631 -2.972 1.00 0.00 H new ATOM 257 N ILE A 22 2.999 -4.269 -0.490 1.00 0.00 N ATOM 258 CA ILE A 22 1.677 -4.258 0.112 1.00 0.00 C ATOM 259 C ILE A 22 1.477 -5.542 0.919 1.00 0.00 C ATOM 260 O ILE A 22 0.923 -6.517 0.414 1.00 0.00 O ATOM 261 CB ILE A 22 0.604 -4.029 -0.954 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.043 -2.955 -1.952 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.745 -3.698 -0.313 1.00 0.00 C ATOM 264 CD1 ILE A 22 0.953 -1.560 -1.331 1.00 0.00 C ATOM 0 H ILE A 22 3.035 -4.659 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 22 1.584 -3.425 0.809 1.00 0.00 H new ATOM 0 HB ILE A 22 0.476 -4.956 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.066 -3.149 -2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.415 -3.002 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.490 -3.540 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.058 -4.525 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.650 -2.793 0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.271 -0.816 -2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.076 -1.360 -1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.601 -1.509 -0.456 1.00 0.00 H new ATOM 276 N ILE A 23 1.940 -5.501 2.160 1.00 0.00 N ATOM 277 CA ILE A 23 1.819 -6.650 3.042 1.00 0.00 C ATOM 278 C ILE A 23 0.386 -6.733 3.570 1.00 0.00 C ATOM 279 O ILE A 23 -0.094 -5.808 4.224 1.00 0.00 O ATOM 280 CB ILE A 23 2.879 -6.593 4.144 1.00 0.00 C ATOM 281 CG1 ILE A 23 4.267 -6.330 3.557 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.849 -7.861 5.000 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.779 -7.551 2.791 1.00 0.00 C ATOM 0 H ILE A 23 2.399 -4.691 2.576 1.00 0.00 H new ATOM 0 HA ILE A 23 2.011 -7.573 2.495 1.00 0.00 H new ATOM 0 HB ILE A 23 2.644 -5.756 4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.226 -5.469 2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.963 -6.081 4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.612 -7.795 5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.868 -7.964 5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.045 -8.729 4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.767 -7.337 2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.842 -8.404 3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.093 -7.783 1.976 1.00 0.00 H new ATOM 295 N TRP A 24 -0.258 -7.851 3.268 1.00 0.00 N ATOM 296 CA TRP A 24 -1.627 -8.067 3.705 1.00 0.00 C ATOM 297 C TRP A 24 -1.851 -9.576 3.828 1.00 0.00 C ATOM 298 O TRP A 24 -1.906 -10.283 2.824 1.00 0.00 O ATOM 299 CB TRP A 24 -2.619 -7.391 2.755 1.00 0.00 C ATOM 300 CG TRP A 24 -4.077 -7.481 3.211 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.544 -7.618 4.459 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.246 -7.435 2.366 1.00 0.00 C ATOM 303 NE1 TRP A 24 -5.923 -7.663 4.481 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.363 -7.548 3.168 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.355 -7.302 0.971 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -7.670 -7.539 2.666 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -6.668 -7.295 0.485 1.00 0.00 C ATOM 308 CH2 TRP A 24 -7.804 -7.408 1.279 1.00 0.00 C ATOM 0 H TRP A 24 0.143 -8.617 2.726 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.798 -7.609 4.679 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.346 -6.341 2.648 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.529 -7.845 1.768 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.920 -7.685 5.338 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.511 -7.762 5.309 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.494 -7.212 0.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.529 -7.628 3.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.808 -7.195 -0.581 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.785 -7.395 0.828 1.00 0.00 H new ATOM 319 N ASN A 25 -1.975 -10.024 5.069 1.00 0.00 N ATOM 320 CA ASN A 25 -2.192 -11.435 5.337 1.00 0.00 C ATOM 321 C ASN A 25 -0.916 -12.213 5.012 1.00 0.00 C ATOM 322 O ASN A 25 -0.227 -12.688 5.914 1.00 0.00 O ATOM 323 CB ASN A 25 -3.321 -11.993 4.468 1.00 0.00 C ATOM 324 CG ASN A 25 -4.493 -12.468 5.330 1.00 0.00 C ATOM 325 OD1 ASN A 25 -4.326 -13.135 6.338 1.00 0.00 O ATOM 326 ND2 ASN A 25 -5.685 -12.087 4.879 1.00 0.00 N ATOM 0 H ASN A 25 -1.929 -9.434 5.900 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.460 -11.542 6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.663 -11.226 3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.947 -12.822 3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.530 -12.353 5.384 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.754 -11.529 4.028 1.00 0.00 H new ATOM 333 N LYS A 26 -0.639 -12.321 3.721 1.00 0.00 N ATOM 334 CA LYS A 26 0.542 -13.033 3.265 1.00 0.00 C ATOM 335 C LYS A 26 0.753 -12.763 1.774 1.00 0.00 C ATOM 336 O LYS A 26 1.183 -13.646 1.034 1.00 0.00 O ATOM 337 CB LYS A 26 0.438 -14.520 3.612 1.00 0.00 C ATOM 338 CG LYS A 26 -0.962 -15.057 3.308 1.00 0.00 C ATOM 339 CD LYS A 26 -0.947 -16.580 3.170 1.00 0.00 C ATOM 340 CE LYS A 26 -0.662 -16.997 1.726 1.00 0.00 C ATOM 341 NZ LYS A 26 0.769 -16.800 1.402 1.00 0.00 N ATOM 0 H LYS A 26 -1.213 -11.927 2.976 1.00 0.00 H new ATOM 0 HA LYS A 26 1.429 -12.669 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.179 -15.082 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.667 -14.668 4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.647 -14.767 4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.335 -14.609 2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.189 -17.001 3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.907 -16.987 3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.933 -18.043 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.279 -16.412 1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.025 -17.393 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.938 -15.800 1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.351 -17.068 2.221 1.00 0.00 H new ATOM 355 N THR A 27 0.440 -11.538 1.378 1.00 0.00 N ATOM 356 CA THR A 27 0.589 -11.140 -0.012 1.00 0.00 C ATOM 357 C THR A 27 1.615 -10.011 -0.136 1.00 0.00 C ATOM 358 O THR A 27 1.813 -9.242 0.803 1.00 0.00 O ATOM 359 CB THR A 27 -0.794 -10.765 -0.548 1.00 0.00 C ATOM 360 OG1 THR A 27 -1.378 -10.001 0.503 1.00 0.00 O ATOM 361 CG2 THR A 27 -1.717 -11.978 -0.684 1.00 0.00 C ATOM 0 H THR A 27 0.084 -10.808 1.995 1.00 0.00 H new ATOM 0 HA THR A 27 0.977 -11.959 -0.618 1.00 0.00 H new ATOM 0 HB THR A 27 -0.688 -10.278 -1.518 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.803 -10.604 1.148 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.685 -11.657 -1.068 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.274 -12.697 -1.373 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.850 -12.445 0.292 1.00 0.00 H new ATOM 369 N LYS A 28 2.240 -9.949 -1.303 1.00 0.00 N ATOM 370 CA LYS A 28 3.240 -8.927 -1.562 1.00 0.00 C ATOM 371 C LYS A 28 3.017 -8.344 -2.959 1.00 0.00 C ATOM 372 O LYS A 28 3.472 -8.910 -3.951 1.00 0.00 O ATOM 373 CB LYS A 28 4.647 -9.489 -1.347 1.00 0.00 C ATOM 374 CG LYS A 28 4.896 -9.795 0.131 1.00 0.00 C ATOM 375 CD LYS A 28 6.170 -10.622 0.313 1.00 0.00 C ATOM 376 CE LYS A 28 7.143 -9.927 1.268 1.00 0.00 C ATOM 377 NZ LYS A 28 8.305 -9.390 0.525 1.00 0.00 N ATOM 0 H LYS A 28 2.073 -10.589 -2.079 1.00 0.00 H new ATOM 0 HA LYS A 28 3.138 -8.105 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.773 -10.397 -1.936 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.387 -8.772 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.980 -8.863 0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.044 -10.337 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.915 -11.608 0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.650 -10.775 -0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.633 -9.118 1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.483 -10.632 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.955 -8.922 1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.801 -10.169 0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.977 -8.702 -0.182 1.00 0.00 H new ATOM 391 N HIS A 29 2.317 -7.220 -2.991 1.00 0.00 N ATOM 392 CA HIS A 29 2.028 -6.554 -4.249 1.00 0.00 C ATOM 393 C HIS A 29 3.042 -5.431 -4.480 1.00 0.00 C ATOM 394 O HIS A 29 3.009 -4.410 -3.796 1.00 0.00 O ATOM 395 CB HIS A 29 0.580 -6.061 -4.284 1.00 0.00 C ATOM 396 CG HIS A 29 -0.445 -7.157 -4.119 1.00 0.00 C ATOM 397 ND1 HIS A 29 -0.390 -8.348 -4.823 1.00 0.00 N ATOM 398 CD2 HIS A 29 -1.551 -7.231 -3.323 1.00 0.00 C ATOM 399 CE1 HIS A 29 -1.422 -9.096 -4.460 1.00 0.00 C ATOM 400 NE2 HIS A 29 -2.140 -8.403 -3.531 1.00 0.00 N ATOM 0 H HIS A 29 1.941 -6.754 -2.165 1.00 0.00 H new ATOM 0 HA HIS A 29 2.129 -7.263 -5.071 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.439 -5.323 -3.494 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.403 -5.551 -5.231 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.890 -6.466 -2.640 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.654 -10.082 -4.835 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.990 -8.731 -3.071 1.00 0.00 H new ATOM 408 N ASP A 30 3.919 -5.659 -5.447 1.00 0.00 N ATOM 409 CA ASP A 30 4.940 -4.679 -5.777 1.00 0.00 C ATOM 410 C ASP A 30 4.294 -3.503 -6.512 1.00 0.00 C ATOM 411 O ASP A 30 3.982 -3.604 -7.697 1.00 0.00 O ATOM 412 CB ASP A 30 6.006 -5.282 -6.694 1.00 0.00 C ATOM 413 CG ASP A 30 6.443 -6.703 -6.330 1.00 0.00 C ATOM 414 OD1 ASP A 30 6.205 -7.089 -5.166 1.00 0.00 O ATOM 415 OD2 ASP A 30 7.007 -7.370 -7.225 1.00 0.00 O ATOM 0 H ASP A 30 3.944 -6.508 -6.012 1.00 0.00 H new ATOM 0 HA ASP A 30 5.407 -4.352 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.626 -5.285 -7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.883 -4.634 -6.682 1.00 0.00 H new ATOM 420 N VAL A 31 4.113 -2.415 -5.778 1.00 0.00 N ATOM 421 CA VAL A 31 3.510 -1.221 -6.345 1.00 0.00 C ATOM 422 C VAL A 31 4.515 -0.069 -6.283 1.00 0.00 C ATOM 423 O VAL A 31 5.257 0.061 -5.310 1.00 0.00 O ATOM 424 CB VAL A 31 2.196 -0.908 -5.628 1.00 0.00 C ATOM 425 CG1 VAL A 31 1.139 -1.972 -5.930 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.414 -0.765 -4.120 1.00 0.00 C ATOM 0 H VAL A 31 4.374 -2.335 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 31 3.262 -1.379 -7.395 1.00 0.00 H new ATOM 0 HB VAL A 31 1.828 0.046 -6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.215 -1.725 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.952 -2.005 -7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.496 -2.945 -5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.464 -0.543 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.816 -1.696 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.117 0.046 -3.929 1.00 0.00 H new ATOM 436 N LYS A 32 4.506 0.739 -7.333 1.00 0.00 N ATOM 437 CA LYS A 32 5.408 1.876 -7.410 1.00 0.00 C ATOM 438 C LYS A 32 4.606 3.169 -7.243 1.00 0.00 C ATOM 439 O LYS A 32 3.818 3.532 -8.114 1.00 0.00 O ATOM 440 CB LYS A 32 6.228 1.823 -8.700 1.00 0.00 C ATOM 441 CG LYS A 32 5.410 2.329 -9.890 1.00 0.00 C ATOM 442 CD LYS A 32 6.050 1.906 -11.214 1.00 0.00 C ATOM 443 CE LYS A 32 7.534 2.277 -11.250 1.00 0.00 C ATOM 444 NZ LYS A 32 7.916 2.756 -12.597 1.00 0.00 N ATOM 0 H LYS A 32 3.889 0.629 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 32 6.134 1.843 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.128 2.428 -8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.554 0.800 -8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.395 1.937 -9.831 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.335 3.416 -9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.937 0.830 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.531 2.387 -12.043 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.739 3.051 -10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.138 1.411 -10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.926 3.003 -12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.738 2.006 -13.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.352 3.596 -12.840 1.00 0.00 H new ATOM 458 N VAL A 33 4.835 3.828 -6.117 1.00 0.00 N ATOM 459 CA VAL A 33 4.145 5.072 -5.824 1.00 0.00 C ATOM 460 C VAL A 33 5.167 6.134 -5.414 1.00 0.00 C ATOM 461 O VAL A 33 6.224 5.808 -4.876 1.00 0.00 O ATOM 462 CB VAL A 33 3.069 4.837 -4.762 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.237 3.596 -5.090 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.690 4.727 -3.368 1.00 0.00 C ATOM 0 H VAL A 33 5.489 3.523 -5.396 1.00 0.00 H new ATOM 0 HA VAL A 33 3.631 5.441 -6.712 1.00 0.00 H new ATOM 0 HB VAL A 33 2.401 5.699 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.480 3.452 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.751 3.729 -6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.887 2.722 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.904 4.560 -2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.390 3.892 -3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.219 5.650 -3.131 1.00 0.00 H new ATOM 474 N PRO A 34 4.807 7.416 -5.692 1.00 0.00 N ATOM 475 CA PRO A 34 5.682 8.528 -5.359 1.00 0.00 C ATOM 476 C PRO A 34 5.659 8.811 -3.855 1.00 0.00 C ATOM 477 O PRO A 34 4.636 8.619 -3.199 1.00 0.00 O ATOM 478 CB PRO A 34 5.171 9.693 -6.190 1.00 0.00 C ATOM 479 CG PRO A 34 3.756 9.322 -6.602 1.00 0.00 C ATOM 480 CD PRO A 34 3.564 7.839 -6.329 1.00 0.00 C ATOM 0 HA PRO A 34 6.728 8.323 -5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.180 10.618 -5.613 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.802 9.856 -7.064 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.029 9.910 -6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.597 9.539 -7.658 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.706 7.664 -5.679 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.384 7.287 -7.251 1.00 0.00 H new ATOM 488 N LEU A 35 6.799 9.263 -3.353 1.00 0.00 N ATOM 489 CA LEU A 35 6.923 9.574 -1.939 1.00 0.00 C ATOM 490 C LEU A 35 6.033 10.773 -1.606 1.00 0.00 C ATOM 491 O LEU A 35 5.718 11.012 -0.441 1.00 0.00 O ATOM 492 CB LEU A 35 8.392 9.775 -1.562 1.00 0.00 C ATOM 493 CG LEU A 35 8.859 9.070 -0.287 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.553 7.572 -0.345 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.341 9.342 -0.021 1.00 0.00 C ATOM 0 H LEU A 35 7.645 9.421 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 35 6.574 8.738 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.010 9.430 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.575 10.844 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 35 8.300 9.481 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.895 7.095 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.478 7.424 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.067 7.128 -1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.647 8.829 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.934 8.977 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.499 10.414 0.095 1.00 0.00 H new ATOM 507 N ASP A 36 5.652 11.495 -2.649 1.00 0.00 N ATOM 508 CA ASP A 36 4.804 12.663 -2.481 1.00 0.00 C ATOM 509 C ASP A 36 3.441 12.225 -1.941 1.00 0.00 C ATOM 510 O ASP A 36 2.654 13.055 -1.487 1.00 0.00 O ATOM 511 CB ASP A 36 4.576 13.375 -3.816 1.00 0.00 C ATOM 512 CG ASP A 36 4.372 14.888 -3.716 1.00 0.00 C ATOM 513 OD1 ASP A 36 3.980 15.336 -2.617 1.00 0.00 O ATOM 514 OD2 ASP A 36 4.613 15.562 -4.740 1.00 0.00 O ATOM 0 H ASP A 36 5.915 11.294 -3.614 1.00 0.00 H new ATOM 0 HA ASP A 36 5.301 13.343 -1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.430 13.181 -4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.703 12.937 -4.300 1.00 0.00 H new ATOM 519 N SER A 37 3.204 10.923 -2.007 1.00 0.00 N ATOM 520 CA SER A 37 1.950 10.366 -1.530 1.00 0.00 C ATOM 521 C SER A 37 1.767 10.684 -0.044 1.00 0.00 C ATOM 522 O SER A 37 2.609 10.327 0.779 1.00 0.00 O ATOM 523 CB SER A 37 1.897 8.854 -1.759 1.00 0.00 C ATOM 524 OG SER A 37 1.862 8.525 -3.145 1.00 0.00 O ATOM 0 H SER A 37 3.859 10.238 -2.384 1.00 0.00 H new ATOM 0 HA SER A 37 1.137 10.821 -2.095 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.767 8.387 -1.297 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.016 8.443 -1.267 1.00 0.00 H new ATOM 0 HG SER A 37 2.777 8.480 -3.494 1.00 0.00 H new ATOM 530 N THR A 38 0.663 11.353 0.253 1.00 0.00 N ATOM 531 CA THR A 38 0.359 11.723 1.625 1.00 0.00 C ATOM 532 C THR A 38 -0.134 10.506 2.410 1.00 0.00 C ATOM 533 O THR A 38 -0.851 9.664 1.871 1.00 0.00 O ATOM 534 CB THR A 38 -0.650 12.873 1.591 1.00 0.00 C ATOM 535 OG1 THR A 38 -1.857 12.263 1.143 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.328 13.903 0.507 1.00 0.00 C ATOM 0 H THR A 38 -0.032 11.648 -0.433 1.00 0.00 H new ATOM 0 HA THR A 38 1.251 12.068 2.148 1.00 0.00 H new ATOM 0 HB THR A 38 -0.672 13.365 2.563 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.566 12.938 1.094 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.074 14.697 0.526 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.659 14.328 0.691 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.338 13.419 -0.470 1.00 0.00 H new ATOM 544 N GLY A 39 0.271 10.451 3.670 1.00 0.00 N ATOM 545 CA GLY A 39 -0.120 9.350 4.534 1.00 0.00 C ATOM 546 C GLY A 39 -1.603 9.016 4.359 1.00 0.00 C ATOM 547 O GLY A 39 -2.019 7.882 4.593 1.00 0.00 O ATOM 0 H GLY A 39 0.866 11.151 4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.484 8.472 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.078 9.611 5.574 1.00 0.00 H new ATOM 551 N SER A 40 -2.359 10.023 3.948 1.00 0.00 N ATOM 552 CA SER A 40 -3.787 9.850 3.739 1.00 0.00 C ATOM 553 C SER A 40 -4.037 9.133 2.411 1.00 0.00 C ATOM 554 O SER A 40 -4.836 8.200 2.346 1.00 0.00 O ATOM 555 CB SER A 40 -4.514 11.195 3.762 1.00 0.00 C ATOM 556 OG SER A 40 -5.930 11.038 3.732 1.00 0.00 O ATOM 0 H SER A 40 -2.010 10.962 3.754 1.00 0.00 H new ATOM 0 HA SER A 40 -4.181 9.242 4.553 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.229 11.745 4.659 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.197 11.793 2.907 1.00 0.00 H new ATOM 0 HG SER A 40 -6.357 11.920 3.750 1.00 0.00 H new ATOM 562 N GLU A 41 -3.340 9.597 1.384 1.00 0.00 N ATOM 563 CA GLU A 41 -3.477 9.012 0.061 1.00 0.00 C ATOM 564 C GLU A 41 -3.195 7.509 0.113 1.00 0.00 C ATOM 565 O GLU A 41 -3.836 6.729 -0.590 1.00 0.00 O ATOM 566 CB GLU A 41 -2.557 9.708 -0.944 1.00 0.00 C ATOM 567 CG GLU A 41 -3.220 10.962 -1.517 1.00 0.00 C ATOM 568 CD GLU A 41 -2.328 11.620 -2.572 1.00 0.00 C ATOM 569 OE1 GLU A 41 -1.092 11.501 -2.425 1.00 0.00 O ATOM 570 OE2 GLU A 41 -2.902 12.228 -3.501 1.00 0.00 O ATOM 0 H GLU A 41 -2.679 10.371 1.441 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.504 9.158 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.619 9.978 -0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.310 9.021 -1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.181 10.700 -1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.422 11.670 -0.714 1.00 0.00 H new ATOM 577 N LEU A 42 -2.236 7.148 0.953 1.00 0.00 N ATOM 578 CA LEU A 42 -1.862 5.752 1.106 1.00 0.00 C ATOM 579 C LEU A 42 -3.123 4.886 1.096 1.00 0.00 C ATOM 580 O LEU A 42 -3.175 3.867 0.410 1.00 0.00 O ATOM 581 CB LEU A 42 -0.996 5.564 2.353 1.00 0.00 C ATOM 582 CG LEU A 42 0.515 5.681 2.145 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.232 5.950 3.470 1.00 0.00 C ATOM 584 CD2 LEU A 42 1.068 4.445 1.434 1.00 0.00 C ATOM 0 H LEU A 42 -1.707 7.798 1.535 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.247 5.428 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.299 6.302 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.210 4.582 2.775 1.00 0.00 H new ATOM 0 HG LEU A 42 0.705 6.537 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.305 6.029 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.865 6.882 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.037 5.131 4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.144 4.554 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.866 3.559 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.589 4.340 0.461 1.00 0.00 H new ATOM 596 N LYS A 43 -4.109 5.325 1.865 1.00 0.00 N ATOM 597 CA LYS A 43 -5.367 4.602 1.953 1.00 0.00 C ATOM 598 C LYS A 43 -5.860 4.272 0.543 1.00 0.00 C ATOM 599 O LYS A 43 -5.927 3.104 0.162 1.00 0.00 O ATOM 600 CB LYS A 43 -6.378 5.387 2.791 1.00 0.00 C ATOM 601 CG LYS A 43 -5.979 5.394 4.268 1.00 0.00 C ATOM 602 CD LYS A 43 -6.094 3.993 4.873 1.00 0.00 C ATOM 603 CE LYS A 43 -6.202 4.062 6.398 1.00 0.00 C ATOM 604 NZ LYS A 43 -6.500 2.724 6.957 1.00 0.00 N ATOM 0 H LYS A 43 -4.062 6.171 2.432 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.227 3.654 2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.443 6.411 2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.368 4.945 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.956 5.756 4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.618 6.085 4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.969 3.488 4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.224 3.399 4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.269 4.439 6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.986 4.764 6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.104 2.653 7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.530 2.586 6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.075 1.993 6.352 1.00 0.00 H new ATOM 618 N GLN A 44 -6.194 5.322 -0.193 1.00 0.00 N ATOM 619 CA GLN A 44 -6.679 5.158 -1.553 1.00 0.00 C ATOM 620 C GLN A 44 -5.587 4.553 -2.437 1.00 0.00 C ATOM 621 O GLN A 44 -5.864 4.092 -3.544 1.00 0.00 O ATOM 622 CB GLN A 44 -7.172 6.489 -2.123 1.00 0.00 C ATOM 623 CG GLN A 44 -8.253 7.102 -1.230 1.00 0.00 C ATOM 624 CD GLN A 44 -9.450 7.569 -2.061 1.00 0.00 C ATOM 625 OE1 GLN A 44 -10.461 6.895 -2.175 1.00 0.00 O ATOM 626 NE2 GLN A 44 -9.281 8.758 -2.632 1.00 0.00 N ATOM 0 H GLN A 44 -6.138 6.289 0.127 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.526 4.472 -1.536 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.335 7.182 -2.215 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.569 6.334 -3.126 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.581 6.368 -0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.838 7.945 -0.677 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.409 9.270 -2.496 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.023 9.158 -3.206 1.00 0.00 H new ATOM 635 N LYS A 45 -4.369 4.575 -1.917 1.00 0.00 N ATOM 636 CA LYS A 45 -3.234 4.034 -2.645 1.00 0.00 C ATOM 637 C LYS A 45 -3.184 2.518 -2.451 1.00 0.00 C ATOM 638 O LYS A 45 -2.767 1.787 -3.348 1.00 0.00 O ATOM 639 CB LYS A 45 -1.945 4.750 -2.236 1.00 0.00 C ATOM 640 CG LYS A 45 -1.235 5.341 -3.456 1.00 0.00 C ATOM 641 CD LYS A 45 -2.181 6.231 -4.264 1.00 0.00 C ATOM 642 CE LYS A 45 -1.493 7.534 -4.672 1.00 0.00 C ATOM 643 NZ LYS A 45 -2.273 8.701 -4.202 1.00 0.00 N ATOM 0 H LYS A 45 -4.143 4.959 -1.000 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.346 4.214 -3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.175 5.544 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.281 4.050 -1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.371 5.922 -3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.859 4.536 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.516 5.698 -5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.069 6.454 -3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.488 7.568 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.387 7.572 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.674 9.203 -5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.043 8.377 -3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.650 9.344 -3.673 1.00 0.00 H new ATOM 657 N ILE A 46 -3.614 2.090 -1.273 1.00 0.00 N ATOM 658 CA ILE A 46 -3.624 0.673 -0.949 1.00 0.00 C ATOM 659 C ILE A 46 -4.979 0.076 -1.332 1.00 0.00 C ATOM 660 O ILE A 46 -5.048 -1.045 -1.834 1.00 0.00 O ATOM 661 CB ILE A 46 -3.248 0.456 0.518 1.00 0.00 C ATOM 662 CG1 ILE A 46 -2.011 1.273 0.894 1.00 0.00 C ATOM 663 CG2 ILE A 46 -3.067 -1.032 0.824 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.139 1.844 2.307 1.00 0.00 C ATOM 0 H ILE A 46 -3.958 2.699 -0.531 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.868 0.144 -1.529 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.070 0.814 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.123 0.644 0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.877 2.086 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.800 -1.158 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.998 -1.561 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.274 -1.439 0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.246 2.420 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.014 2.492 2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.248 1.028 3.021 1.00 0.00 H new ATOM 676 N HIS A 47 -6.024 0.851 -1.080 1.00 0.00 N ATOM 677 CA HIS A 47 -7.374 0.413 -1.392 1.00 0.00 C ATOM 678 C HIS A 47 -7.517 0.228 -2.904 1.00 0.00 C ATOM 679 O HIS A 47 -8.371 -0.529 -3.362 1.00 0.00 O ATOM 680 CB HIS A 47 -8.407 1.381 -0.813 1.00 0.00 C ATOM 681 CG HIS A 47 -9.640 1.548 -1.668 1.00 0.00 C ATOM 682 ND1 HIS A 47 -10.612 0.655 -2.014 1.00 0.00 N flip ATOM 683 CD2 HIS A 47 -9.976 2.746 -2.273 1.00 0.00 C flip ATOM 684 CE1 HIS A 47 -11.495 1.276 -2.787 1.00 0.00 C flip ATOM 685 NE2 HIS A 47 -11.102 2.572 -2.949 1.00 0.00 N flip ATOM 0 H HIS A 47 -5.963 1.780 -0.663 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.564 -0.552 -0.923 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.707 1.028 0.174 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.939 2.356 -0.675 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -10.653 -0.323 -1.728 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.416 3.667 -2.206 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.379 0.829 -3.217 1.00 0.00 H new ATOM 693 N SER A 48 -6.668 0.933 -3.637 1.00 0.00 N ATOM 694 CA SER A 48 -6.689 0.856 -5.088 1.00 0.00 C ATOM 695 C SER A 48 -6.099 -0.478 -5.550 1.00 0.00 C ATOM 696 O SER A 48 -6.236 -0.851 -6.714 1.00 0.00 O ATOM 697 CB SER A 48 -5.919 2.022 -5.712 1.00 0.00 C ATOM 698 OG SER A 48 -6.791 2.991 -6.288 1.00 0.00 O ATOM 0 H SER A 48 -5.961 1.560 -3.253 1.00 0.00 H new ATOM 0 HA SER A 48 -7.725 0.921 -5.419 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.301 2.498 -4.950 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.243 1.642 -6.478 1.00 0.00 H new ATOM 0 HG SER A 48 -6.893 3.747 -5.672 1.00 0.00 H new ATOM 704 N ILE A 49 -5.455 -1.159 -4.614 1.00 0.00 N ATOM 705 CA ILE A 49 -4.843 -2.444 -4.911 1.00 0.00 C ATOM 706 C ILE A 49 -5.566 -3.541 -4.126 1.00 0.00 C ATOM 707 O ILE A 49 -6.155 -4.445 -4.716 1.00 0.00 O ATOM 708 CB ILE A 49 -3.337 -2.393 -4.651 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.796 -0.973 -4.835 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.595 -3.407 -5.524 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.317 -0.896 -4.452 1.00 0.00 C ATOM 0 H ILE A 49 -5.343 -0.846 -3.650 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.952 -2.683 -5.969 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.160 -2.672 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.923 -0.663 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.371 -0.279 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.526 -3.350 -5.319 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.954 -4.411 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.776 -3.183 -6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.958 0.123 -4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.196 -1.183 -3.407 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.742 -1.573 -5.083 1.00 0.00 H new ATOM 723 N THR A 50 -5.497 -3.425 -2.808 1.00 0.00 N ATOM 724 CA THR A 50 -6.138 -4.396 -1.937 1.00 0.00 C ATOM 725 C THR A 50 -7.611 -4.560 -2.314 1.00 0.00 C ATOM 726 O THR A 50 -8.159 -5.658 -2.227 1.00 0.00 O ATOM 727 CB THR A 50 -5.928 -3.944 -0.491 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.580 -2.678 -0.424 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.463 -3.625 -0.184 1.00 0.00 C ATOM 0 H THR A 50 -5.007 -2.674 -2.322 1.00 0.00 H new ATOM 0 HA THR A 50 -5.694 -5.385 -2.052 1.00 0.00 H new ATOM 0 HB THR A 50 -6.280 -4.722 0.187 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.071 -2.020 -0.942 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.369 -3.309 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.855 -4.514 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.120 -2.824 -0.839 1.00 0.00 H new ATOM 737 N GLY A 51 -8.211 -3.453 -2.726 1.00 0.00 N ATOM 738 CA GLY A 51 -9.611 -3.460 -3.116 1.00 0.00 C ATOM 739 C GLY A 51 -10.521 -3.278 -1.900 1.00 0.00 C ATOM 740 O GLY A 51 -11.663 -2.842 -2.034 1.00 0.00 O ATOM 0 H GLY A 51 -7.753 -2.544 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.796 -2.662 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.848 -4.400 -3.615 1.00 0.00 H new ATOM 744 N LEU A 52 -9.980 -3.621 -0.740 1.00 0.00 N ATOM 745 CA LEU A 52 -10.729 -3.501 0.499 1.00 0.00 C ATOM 746 C LEU A 52 -10.859 -2.022 0.870 1.00 0.00 C ATOM 747 O LEU A 52 -10.186 -1.171 0.290 1.00 0.00 O ATOM 748 CB LEU A 52 -10.091 -4.356 1.596 1.00 0.00 C ATOM 749 CG LEU A 52 -9.064 -3.651 2.485 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.420 -3.808 3.964 1.00 0.00 C ATOM 751 CD2 LEU A 52 -7.647 -4.141 2.181 1.00 0.00 C ATOM 0 H LEU A 52 -9.032 -3.982 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.740 -3.889 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.885 -4.747 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.608 -5.213 1.126 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.091 -2.585 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.674 -3.298 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.401 -3.372 4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.438 -4.867 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.937 -3.624 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.587 -5.214 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.406 -3.934 1.138 1.00 0.00 H new ATOM 763 N PRO A 53 -11.752 -1.754 1.860 1.00 0.00 N ATOM 764 CA PRO A 53 -11.979 -0.393 2.315 1.00 0.00 C ATOM 765 C PRO A 53 -10.818 0.095 3.183 1.00 0.00 C ATOM 766 O PRO A 53 -10.254 -0.672 3.962 1.00 0.00 O ATOM 767 CB PRO A 53 -13.301 -0.444 3.064 1.00 0.00 C ATOM 768 CG PRO A 53 -13.533 -1.908 3.401 1.00 0.00 C ATOM 769 CD PRO A 53 -12.567 -2.736 2.569 1.00 0.00 C ATOM 0 HA PRO A 53 -12.029 0.323 1.494 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.261 0.163 3.968 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.112 -0.051 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.370 -2.086 4.464 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.563 -2.191 3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.953 -3.379 3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.099 -3.385 1.874 1.00 0.00 H new ATOM 777 N PRO A 54 -10.487 1.404 3.017 1.00 0.00 N ATOM 778 CA PRO A 54 -9.403 2.004 3.776 1.00 0.00 C ATOM 779 C PRO A 54 -9.825 2.259 5.225 1.00 0.00 C ATOM 780 O PRO A 54 -8.988 2.266 6.126 1.00 0.00 O ATOM 781 CB PRO A 54 -9.056 3.279 3.025 1.00 0.00 C ATOM 782 CG PRO A 54 -10.256 3.584 2.144 1.00 0.00 C ATOM 783 CD PRO A 54 -11.133 2.343 2.104 1.00 0.00 C ATOM 0 HA PRO A 54 -8.532 1.353 3.853 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.861 4.099 3.717 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.155 3.146 2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.814 4.433 2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.933 3.855 1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.151 2.567 2.421 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.196 1.935 1.095 1.00 0.00 H new ATOM 791 N ALA A 55 -11.122 2.464 5.403 1.00 0.00 N ATOM 792 CA ALA A 55 -11.664 2.719 6.726 1.00 0.00 C ATOM 793 C ALA A 55 -11.444 1.489 7.609 1.00 0.00 C ATOM 794 O ALA A 55 -11.424 1.595 8.834 1.00 0.00 O ATOM 795 CB ALA A 55 -13.143 3.095 6.609 1.00 0.00 C ATOM 0 H ALA A 55 -11.813 2.459 4.653 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.150 3.558 7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.549 3.286 7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.243 3.991 5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.691 2.275 6.144 1.00 0.00 H new ATOM 801 N MET A 56 -11.283 0.350 6.952 1.00 0.00 N ATOM 802 CA MET A 56 -11.064 -0.899 7.662 1.00 0.00 C ATOM 803 C MET A 56 -9.581 -1.275 7.667 1.00 0.00 C ATOM 804 O MET A 56 -9.147 -2.093 8.477 1.00 0.00 O ATOM 805 CB MET A 56 -11.872 -2.014 6.993 1.00 0.00 C ATOM 806 CG MET A 56 -12.957 -2.544 7.933 1.00 0.00 C ATOM 807 SD MET A 56 -12.211 -3.462 9.270 1.00 0.00 S ATOM 808 CE MET A 56 -13.564 -4.547 9.694 1.00 0.00 C ATOM 0 H MET A 56 -11.300 0.266 5.936 1.00 0.00 H new ATOM 0 HA MET A 56 -11.390 -0.771 8.694 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.330 -1.638 6.078 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.206 -2.828 6.705 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.541 -1.715 8.332 1.00 0.00 H new ATOM 0 HG3 MET A 56 -13.647 -3.184 7.382 1.00 0.00 H new ATOM 0 HE1 MET A 56 -13.266 -5.195 10.519 1.00 0.00 H new ATOM 0 HE2 MET A 56 -14.427 -3.952 9.993 1.00 0.00 H new ATOM 0 HE3 MET A 56 -13.825 -5.157 8.830 1.00 0.00 H new ATOM 818 N GLN A 57 -8.845 -0.660 6.753 1.00 0.00 N ATOM 819 CA GLN A 57 -7.419 -0.919 6.642 1.00 0.00 C ATOM 820 C GLN A 57 -6.666 -0.242 7.788 1.00 0.00 C ATOM 821 O GLN A 57 -7.158 0.719 8.378 1.00 0.00 O ATOM 822 CB GLN A 57 -6.882 -0.460 5.285 1.00 0.00 C ATOM 823 CG GLN A 57 -7.180 -1.495 4.199 1.00 0.00 C ATOM 824 CD GLN A 57 -6.481 -1.129 2.887 1.00 0.00 C ATOM 825 OE1 GLN A 57 -5.273 -1.226 2.749 1.00 0.00 O ATOM 826 NE2 GLN A 57 -7.307 -0.704 1.935 1.00 0.00 N ATOM 0 H GLN A 57 -9.209 0.017 6.082 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.258 -1.995 6.714 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.333 0.495 5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.806 -0.297 5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.849 -2.480 4.529 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.256 -1.558 4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.309 -0.647 2.117 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.938 -0.435 1.023 1.00 0.00 H new ATOM 835 N LYS A 58 -5.483 -0.769 8.070 1.00 0.00 N ATOM 836 CA LYS A 58 -4.657 -0.227 9.135 1.00 0.00 C ATOM 837 C LYS A 58 -3.248 0.036 8.598 1.00 0.00 C ATOM 838 O LYS A 58 -2.400 -0.855 8.608 1.00 0.00 O ATOM 839 CB LYS A 58 -4.687 -1.147 10.358 1.00 0.00 C ATOM 840 CG LYS A 58 -3.914 -0.532 11.526 1.00 0.00 C ATOM 841 CD LYS A 58 -3.948 -1.450 12.750 1.00 0.00 C ATOM 842 CE LYS A 58 -5.145 -1.125 13.646 1.00 0.00 C ATOM 843 NZ LYS A 58 -6.333 -1.901 13.225 1.00 0.00 N ATOM 0 H LYS A 58 -5.077 -1.566 7.579 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.053 0.730 9.475 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.720 -1.328 10.656 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.255 -2.114 10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.880 -0.354 11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.344 0.437 11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.002 -2.490 12.428 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.024 -1.340 13.317 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.903 -1.354 14.684 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.364 -0.058 13.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.012 -1.269 12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.042 -2.650 12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.781 -2.330 14.060 1.00 0.00 H new ATOM 857 N VAL A 59 -3.043 1.262 8.142 1.00 0.00 N ATOM 858 CA VAL A 59 -1.752 1.654 7.602 1.00 0.00 C ATOM 859 C VAL A 59 -0.751 1.809 8.749 1.00 0.00 C ATOM 860 O VAL A 59 -0.831 2.761 9.523 1.00 0.00 O ATOM 861 CB VAL A 59 -1.900 2.924 6.761 1.00 0.00 C ATOM 862 CG1 VAL A 59 -0.593 3.257 6.039 1.00 0.00 C ATOM 863 CG2 VAL A 59 -3.057 2.793 5.770 1.00 0.00 C ATOM 0 H VAL A 59 -3.749 1.998 8.135 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.366 0.883 6.935 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.130 3.749 7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.724 4.164 5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.198 3.413 6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.320 2.432 5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.140 3.709 5.185 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.871 1.952 5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.986 2.625 6.315 1.00 0.00 H new ATOM 873 N MET A 60 0.170 0.859 8.821 1.00 0.00 N ATOM 874 CA MET A 60 1.186 0.878 9.859 1.00 0.00 C ATOM 875 C MET A 60 2.478 0.217 9.375 1.00 0.00 C ATOM 876 O MET A 60 2.480 -0.958 9.011 1.00 0.00 O ATOM 877 CB MET A 60 0.667 0.140 11.095 1.00 0.00 C ATOM 878 CG MET A 60 0.190 1.126 12.163 1.00 0.00 C ATOM 879 SD MET A 60 0.167 0.332 13.761 1.00 0.00 S ATOM 880 CE MET A 60 1.911 0.020 13.977 1.00 0.00 C ATOM 0 H MET A 60 0.234 0.071 8.177 1.00 0.00 H new ATOM 0 HA MET A 60 1.403 1.916 10.109 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.153 -0.519 10.811 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.456 -0.491 11.504 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.849 1.994 12.189 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.807 1.490 11.914 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.172 0.127 15.030 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.143 -0.992 13.646 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.484 0.735 13.387 1.00 0.00 H new ATOM 890 N TYR A 61 3.546 1.001 9.385 1.00 0.00 N ATOM 891 CA TYR A 61 4.841 0.507 8.952 1.00 0.00 C ATOM 892 C TYR A 61 5.913 0.773 10.011 1.00 0.00 C ATOM 893 O TYR A 61 6.391 1.898 10.147 1.00 0.00 O ATOM 894 CB TYR A 61 5.189 1.290 7.684 1.00 0.00 C ATOM 895 CG TYR A 61 6.662 1.203 7.283 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.323 -0.007 7.342 1.00 0.00 C ATOM 897 CD2 TYR A 61 7.331 2.334 6.861 1.00 0.00 C ATOM 898 CE1 TYR A 61 8.710 -0.090 6.965 1.00 0.00 C ATOM 899 CE2 TYR A 61 8.718 2.252 6.484 1.00 0.00 C ATOM 900 CZ TYR A 61 9.339 1.044 6.554 1.00 0.00 C ATOM 901 OH TYR A 61 10.650 0.966 6.197 1.00 0.00 O ATOM 0 H TYR A 61 3.540 1.975 9.686 1.00 0.00 H new ATOM 0 HA TYR A 61 4.803 -0.569 8.782 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.577 0.920 6.862 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.925 2.337 7.832 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.799 -0.892 7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.814 3.281 6.814 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.239 -1.031 7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.253 3.130 6.153 1.00 0.00 H new ATOM 0 HH TYR A 61 10.968 1.852 5.924 1.00 0.00 H new ATOM 911 N LYS A 62 6.258 -0.281 10.735 1.00 0.00 N ATOM 912 CA LYS A 62 7.264 -0.175 11.778 1.00 0.00 C ATOM 913 C LYS A 62 7.014 1.094 12.595 1.00 0.00 C ATOM 914 O LYS A 62 7.944 1.663 13.165 1.00 0.00 O ATOM 915 CB LYS A 62 8.669 -0.253 11.178 1.00 0.00 C ATOM 916 CG LYS A 62 9.089 -1.707 10.950 1.00 0.00 C ATOM 917 CD LYS A 62 10.030 -1.824 9.749 1.00 0.00 C ATOM 918 CE LYS A 62 11.489 -1.908 10.203 1.00 0.00 C ATOM 919 NZ LYS A 62 12.363 -1.155 9.277 1.00 0.00 N ATOM 0 H LYS A 62 5.859 -1.213 10.620 1.00 0.00 H new ATOM 0 HA LYS A 62 7.189 -1.017 12.466 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.695 0.289 10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.380 0.234 11.845 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.583 -2.091 11.843 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.205 -2.323 10.785 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.775 -2.710 9.167 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.898 -0.963 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.586 -1.506 11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.804 -2.951 10.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.350 -1.222 9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.283 -1.556 8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.072 -0.157 9.259 1.00 0.00 H new ATOM 933 N GLY A 63 5.753 1.500 12.626 1.00 0.00 N ATOM 934 CA GLY A 63 5.369 2.692 13.364 1.00 0.00 C ATOM 935 C GLY A 63 4.114 3.328 12.763 1.00 0.00 C ATOM 936 O GLY A 63 3.872 3.218 11.562 1.00 0.00 O ATOM 0 H GLY A 63 4.984 1.025 12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.187 2.435 14.408 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.188 3.412 13.351 1.00 0.00 H new ATOM 940 N LEU A 64 3.348 3.979 13.626 1.00 0.00 N ATOM 941 CA LEU A 64 2.124 4.633 13.196 1.00 0.00 C ATOM 942 C LEU A 64 2.437 5.580 12.036 1.00 0.00 C ATOM 943 O LEU A 64 3.456 6.269 12.051 1.00 0.00 O ATOM 944 CB LEU A 64 1.437 5.316 14.380 1.00 0.00 C ATOM 945 CG LEU A 64 0.660 4.398 15.326 1.00 0.00 C ATOM 946 CD1 LEU A 64 -0.776 4.197 14.838 1.00 0.00 C ATOM 947 CD2 LEU A 64 1.390 3.068 15.521 1.00 0.00 C ATOM 0 H LEU A 64 3.552 4.068 14.622 1.00 0.00 H new ATOM 0 HA LEU A 64 1.410 3.898 12.824 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.195 5.844 14.959 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.751 6.069 13.992 1.00 0.00 H new ATOM 0 HG LEU A 64 0.604 4.881 16.302 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.306 3.541 15.528 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.283 5.161 14.792 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.763 3.746 13.846 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.817 2.434 16.198 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.498 2.568 14.559 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.376 3.253 15.946 1.00 0.00 H new ATOM 959 N VAL A 65 1.543 5.584 11.059 1.00 0.00 N ATOM 960 CA VAL A 65 1.711 6.436 9.894 1.00 0.00 C ATOM 961 C VAL A 65 0.675 7.561 9.935 1.00 0.00 C ATOM 962 O VAL A 65 -0.515 7.321 9.738 1.00 0.00 O ATOM 963 CB VAL A 65 1.632 5.597 8.617 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.329 6.476 7.401 1.00 0.00 C ATOM 965 CG2 VAL A 65 2.917 4.795 8.407 1.00 0.00 C ATOM 0 H VAL A 65 0.699 5.011 11.050 1.00 0.00 H new ATOM 0 HA VAL A 65 2.696 6.902 9.901 1.00 0.00 H new ATOM 0 HB VAL A 65 0.811 4.889 8.732 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.278 5.855 6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.374 6.982 7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.118 7.218 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.834 4.208 7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.763 5.478 8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.072 4.127 9.254 1.00 0.00 H new ATOM 975 N PRO A 66 1.178 8.796 10.200 1.00 0.00 N ATOM 976 CA PRO A 66 0.309 9.959 10.270 1.00 0.00 C ATOM 977 C PRO A 66 -0.131 10.400 8.873 1.00 0.00 C ATOM 978 O PRO A 66 0.705 10.676 8.014 1.00 0.00 O ATOM 979 CB PRO A 66 1.125 11.016 10.997 1.00 0.00 C ATOM 980 CG PRO A 66 2.573 10.568 10.896 1.00 0.00 C ATOM 981 CD PRO A 66 2.582 9.118 10.439 1.00 0.00 C ATOM 0 HA PRO A 66 -0.621 9.758 10.801 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.987 11.997 10.542 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.814 11.101 12.038 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.118 11.194 10.190 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.071 10.667 11.860 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.177 8.992 9.534 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.014 8.466 11.198 1.00 0.00 H new ATOM 989 N GLU A 67 -1.442 10.452 8.689 1.00 0.00 N ATOM 990 CA GLU A 67 -2.003 10.854 7.411 1.00 0.00 C ATOM 991 C GLU A 67 -1.780 12.350 7.180 1.00 0.00 C ATOM 992 O GLU A 67 -2.090 12.870 6.110 1.00 0.00 O ATOM 993 CB GLU A 67 -3.490 10.503 7.329 1.00 0.00 C ATOM 994 CG GLU A 67 -3.745 9.078 7.827 1.00 0.00 C ATOM 995 CD GLU A 67 -5.099 8.561 7.338 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.929 9.415 6.958 1.00 0.00 O ATOM 997 OE2 GLU A 67 -5.274 7.323 7.356 1.00 0.00 O ATOM 0 H GLU A 67 -2.132 10.222 9.404 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.490 10.304 6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.068 11.209 7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.834 10.599 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.951 8.419 7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.716 9.059 8.916 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.244 13.000 8.203 1.00 0.00 N ATOM 1005 CA ASP A 68 -0.976 14.426 8.126 1.00 0.00 C ATOM 1006 C ASP A 68 0.411 14.648 7.519 1.00 0.00 C ATOM 1007 O ASP A 68 0.711 15.734 7.025 1.00 0.00 O ATOM 1008 CB ASP A 68 -0.992 15.066 9.515 1.00 0.00 C ATOM 1009 CG ASP A 68 -2.384 15.276 10.114 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -3.333 14.672 9.569 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -2.467 16.036 11.103 1.00 0.00 O ATOM 0 H ASP A 68 -0.988 12.565 9.090 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.752 14.882 7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.412 14.441 10.193 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.487 16.031 9.460 1.00 0.00 H new ATOM 1016 N LYS A 69 1.221 13.601 7.577 1.00 0.00 N ATOM 1017 CA LYS A 69 2.570 13.667 7.039 1.00 0.00 C ATOM 1018 C LYS A 69 2.705 12.669 5.888 1.00 0.00 C ATOM 1019 O LYS A 69 2.141 11.577 5.939 1.00 0.00 O ATOM 1020 CB LYS A 69 3.600 13.466 8.152 1.00 0.00 C ATOM 1021 CG LYS A 69 3.297 14.368 9.350 1.00 0.00 C ATOM 1022 CD LYS A 69 4.296 15.524 9.433 1.00 0.00 C ATOM 1023 CE LYS A 69 4.918 15.612 10.827 1.00 0.00 C ATOM 1024 NZ LYS A 69 6.254 14.976 10.839 1.00 0.00 N ATOM 0 H LYS A 69 0.969 12.702 7.988 1.00 0.00 H new ATOM 0 HA LYS A 69 2.768 14.657 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.600 12.423 8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.598 13.683 7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.285 14.763 9.265 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.335 13.783 10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.080 15.385 8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.793 16.462 9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.003 16.656 11.129 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.269 15.122 11.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.663 15.044 11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.164 13.975 10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.875 15.461 10.161 1.00 0.00 H new ATOM 1038 N THR A 70 3.456 13.079 4.877 1.00 0.00 N ATOM 1039 CA THR A 70 3.673 12.234 3.715 1.00 0.00 C ATOM 1040 C THR A 70 4.703 11.147 4.030 1.00 0.00 C ATOM 1041 O THR A 70 5.430 11.244 5.018 1.00 0.00 O ATOM 1042 CB THR A 70 4.077 13.133 2.545 1.00 0.00 C ATOM 1043 OG1 THR A 70 5.288 13.746 2.980 1.00 0.00 O ATOM 1044 CG2 THR A 70 3.115 14.307 2.349 1.00 0.00 C ATOM 0 H THR A 70 3.922 13.985 4.838 1.00 0.00 H new ATOM 0 HA THR A 70 2.762 11.704 3.437 1.00 0.00 H new ATOM 0 HB THR A 70 4.119 12.541 1.631 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.621 14.345 2.280 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.448 14.913 1.506 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.113 13.927 2.150 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.098 14.918 3.251 1.00 0.00 H new ATOM 1052 N LEU A 71 4.733 10.138 3.172 1.00 0.00 N ATOM 1053 CA LEU A 71 5.662 9.035 3.346 1.00 0.00 C ATOM 1054 C LEU A 71 7.079 9.588 3.510 1.00 0.00 C ATOM 1055 O LEU A 71 7.798 9.202 4.431 1.00 0.00 O ATOM 1056 CB LEU A 71 5.523 8.031 2.200 1.00 0.00 C ATOM 1057 CG LEU A 71 4.197 7.270 2.132 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.927 6.764 0.714 1.00 0.00 C ATOM 1059 CD2 LEU A 71 4.160 6.139 3.161 1.00 0.00 C ATOM 0 H LEU A 71 4.129 10.061 2.354 1.00 0.00 H new ATOM 0 HA LEU A 71 5.428 8.481 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.663 8.563 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.332 7.305 2.279 1.00 0.00 H new ATOM 0 HG LEU A 71 3.393 7.962 2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.979 6.227 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.879 7.610 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.730 6.094 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.207 5.615 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.974 5.441 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.273 6.554 4.162 1.00 0.00 H new ATOM 1071 N ARG A 72 7.439 10.484 2.603 1.00 0.00 N ATOM 1072 CA ARG A 72 8.757 11.094 2.635 1.00 0.00 C ATOM 1073 C ARG A 72 8.919 11.941 3.900 1.00 0.00 C ATOM 1074 O ARG A 72 10.035 12.306 4.267 1.00 0.00 O ATOM 1075 CB ARG A 72 8.987 11.976 1.406 1.00 0.00 C ATOM 1076 CG ARG A 72 10.401 12.559 1.406 1.00 0.00 C ATOM 1077 CD ARG A 72 10.363 14.089 1.374 1.00 0.00 C ATOM 1078 NE ARG A 72 10.049 14.559 0.006 1.00 0.00 N ATOM 1079 CZ ARG A 72 10.085 15.843 -0.374 1.00 0.00 C ATOM 1080 NH1 ARG A 72 10.422 16.793 0.509 1.00 0.00 N ATOM 1081 NH2 ARG A 72 9.785 16.177 -1.636 1.00 0.00 N ATOM 0 H ARG A 72 6.840 10.802 1.841 1.00 0.00 H new ATOM 0 HA ARG A 72 9.494 10.291 2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.831 11.391 0.500 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.256 12.785 1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.937 12.223 2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.952 12.187 0.542 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.614 14.457 2.075 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.324 14.492 1.694 1.00 0.00 H new ATOM 0 HE ARG A 72 9.789 13.861 -0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.651 16.538 1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.450 17.771 0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.529 15.454 -2.308 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.812 17.155 -1.925 1.00 0.00 H new ATOM 1095 N GLU A 73 7.790 12.228 4.530 1.00 0.00 N ATOM 1096 CA GLU A 73 7.793 13.025 5.745 1.00 0.00 C ATOM 1097 C GLU A 73 7.825 12.116 6.975 1.00 0.00 C ATOM 1098 O GLU A 73 8.461 12.443 7.976 1.00 0.00 O ATOM 1099 CB GLU A 73 6.585 13.963 5.788 1.00 0.00 C ATOM 1100 CG GLU A 73 6.899 15.293 5.101 1.00 0.00 C ATOM 1101 CD GLU A 73 6.414 16.474 5.945 1.00 0.00 C ATOM 1102 OE1 GLU A 73 5.237 16.428 6.361 1.00 0.00 O ATOM 1103 OE2 GLU A 73 7.232 17.396 6.155 1.00 0.00 O ATOM 0 H GLU A 73 6.867 11.923 4.222 1.00 0.00 H new ATOM 0 HA GLU A 73 8.691 13.642 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.734 13.489 5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.297 14.144 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.973 15.376 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.423 15.322 4.121 1.00 0.00 H new ATOM 1110 N ILE A 74 7.131 10.993 6.861 1.00 0.00 N ATOM 1111 CA ILE A 74 7.073 10.034 7.951 1.00 0.00 C ATOM 1112 C ILE A 74 8.316 9.143 7.908 1.00 0.00 C ATOM 1113 O ILE A 74 8.424 8.185 8.672 1.00 0.00 O ATOM 1114 CB ILE A 74 5.756 9.256 7.911 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.808 8.146 6.859 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.570 10.197 7.693 1.00 0.00 C ATOM 1117 CD1 ILE A 74 5.789 6.765 7.518 1.00 0.00 C ATOM 0 H ILE A 74 6.604 10.726 6.030 1.00 0.00 H new ATOM 0 HA ILE A 74 7.083 10.549 8.912 1.00 0.00 H new ATOM 0 HB ILE A 74 5.612 8.776 8.879 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.959 8.242 6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.710 8.253 6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.646 9.619 7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.524 10.920 8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.693 10.724 6.747 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.827 5.994 6.748 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.652 6.664 8.176 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.874 6.652 8.100 1.00 0.00 H new ATOM 1129 N LYS A 75 9.223 9.490 7.007 1.00 0.00 N ATOM 1130 CA LYS A 75 10.454 8.733 6.855 1.00 0.00 C ATOM 1131 C LYS A 75 10.160 7.436 6.099 1.00 0.00 C ATOM 1132 O LYS A 75 10.010 6.378 6.710 1.00 0.00 O ATOM 1133 CB LYS A 75 11.121 8.516 8.214 1.00 0.00 C ATOM 1134 CG LYS A 75 11.196 9.824 9.004 1.00 0.00 C ATOM 1135 CD LYS A 75 10.529 9.677 10.373 1.00 0.00 C ATOM 1136 CE LYS A 75 11.473 9.011 11.375 1.00 0.00 C ATOM 1137 NZ LYS A 75 10.703 8.286 12.410 1.00 0.00 N ATOM 0 H LYS A 75 9.130 10.285 6.375 1.00 0.00 H new ATOM 0 HA LYS A 75 11.175 9.293 6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.561 7.775 8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.125 8.116 8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.238 10.116 9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.709 10.621 8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.233 10.658 10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.619 9.085 10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.135 8.319 10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.105 9.765 11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.359 7.840 13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.089 8.954 12.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.119 7.554 11.959 1.00 0.00 H new ATOM 1151 N VAL A 76 10.085 7.559 4.782 1.00 0.00 N ATOM 1152 CA VAL A 76 9.811 6.409 3.937 1.00 0.00 C ATOM 1153 C VAL A 76 10.804 6.388 2.774 1.00 0.00 C ATOM 1154 O VAL A 76 11.300 7.434 2.358 1.00 0.00 O ATOM 1155 CB VAL A 76 8.352 6.434 3.477 1.00 0.00 C ATOM 1156 CG1 VAL A 76 8.122 5.448 2.330 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.404 6.147 4.644 1.00 0.00 C ATOM 0 H VAL A 76 10.209 8.438 4.279 1.00 0.00 H new ATOM 0 HA VAL A 76 9.946 5.483 4.496 1.00 0.00 H new ATOM 0 HB VAL A 76 8.135 7.436 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.077 5.486 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.759 5.716 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.366 4.439 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.373 6.171 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.623 5.162 5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.539 6.903 5.417 1.00 0.00 H new ATOM 1167 N THR A 77 11.065 5.186 2.282 1.00 0.00 N ATOM 1168 CA THR A 77 11.991 5.016 1.175 1.00 0.00 C ATOM 1169 C THR A 77 11.670 3.733 0.405 1.00 0.00 C ATOM 1170 O THR A 77 10.707 3.038 0.724 1.00 0.00 O ATOM 1171 CB THR A 77 13.413 5.046 1.738 1.00 0.00 C ATOM 1172 OG1 THR A 77 13.345 4.219 2.897 1.00 0.00 O ATOM 1173 CG2 THR A 77 13.797 6.423 2.285 1.00 0.00 C ATOM 0 H THR A 77 10.652 4.321 2.629 1.00 0.00 H new ATOM 0 HA THR A 77 11.896 5.826 0.452 1.00 0.00 H new ATOM 0 HB THR A 77 14.118 4.755 0.959 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.226 4.181 3.324 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.815 6.390 2.672 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.737 7.162 1.486 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.113 6.700 3.087 1.00 0.00 H new ATOM 1181 N SER A 78 12.495 3.459 -0.595 1.00 0.00 N ATOM 1182 CA SER A 78 12.311 2.273 -1.414 1.00 0.00 C ATOM 1183 C SER A 78 12.652 1.021 -0.604 1.00 0.00 C ATOM 1184 O SER A 78 13.816 0.781 -0.285 1.00 0.00 O ATOM 1185 CB SER A 78 13.170 2.338 -2.678 1.00 0.00 C ATOM 1186 OG SER A 78 14.539 2.047 -2.409 1.00 0.00 O ATOM 0 H SER A 78 13.293 4.038 -0.857 1.00 0.00 H new ATOM 0 HA SER A 78 11.266 2.227 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.787 1.631 -3.413 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.091 3.331 -3.120 1.00 0.00 H new ATOM 0 HG SER A 78 14.653 1.866 -1.453 1.00 0.00 H new ATOM 1192 N GLY A 79 11.617 0.254 -0.295 1.00 0.00 N ATOM 1193 CA GLY A 79 11.792 -0.967 0.472 1.00 0.00 C ATOM 1194 C GLY A 79 11.072 -0.878 1.819 1.00 0.00 C ATOM 1195 O GLY A 79 11.436 -1.569 2.769 1.00 0.00 O ATOM 0 H GLY A 79 10.653 0.455 -0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.407 -1.815 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.854 -1.149 0.635 1.00 0.00 H new ATOM 1199 N ALA A 80 10.062 -0.020 1.858 1.00 0.00 N ATOM 1200 CA ALA A 80 9.288 0.168 3.073 1.00 0.00 C ATOM 1201 C ALA A 80 8.055 -0.737 3.033 1.00 0.00 C ATOM 1202 O ALA A 80 7.229 -0.627 2.128 1.00 0.00 O ATOM 1203 CB ALA A 80 8.921 1.647 3.220 1.00 0.00 C ATOM 0 H ALA A 80 9.763 0.552 1.068 1.00 0.00 H new ATOM 0 HA ALA A 80 9.874 -0.112 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.340 1.789 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.831 2.244 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.330 1.962 2.360 1.00 0.00 H new ATOM 1209 N LYS A 81 7.971 -1.612 4.025 1.00 0.00 N ATOM 1210 CA LYS A 81 6.853 -2.536 4.114 1.00 0.00 C ATOM 1211 C LYS A 81 5.594 -1.768 4.524 1.00 0.00 C ATOM 1212 O LYS A 81 5.680 -0.737 5.188 1.00 0.00 O ATOM 1213 CB LYS A 81 7.193 -3.700 5.046 1.00 0.00 C ATOM 1214 CG LYS A 81 7.275 -5.017 4.271 1.00 0.00 C ATOM 1215 CD LYS A 81 8.626 -5.156 3.567 1.00 0.00 C ATOM 1216 CE LYS A 81 9.706 -5.632 4.541 1.00 0.00 C ATOM 1217 NZ LYS A 81 10.970 -4.896 4.314 1.00 0.00 N ATOM 0 H LYS A 81 8.658 -1.700 4.773 1.00 0.00 H new ATOM 0 HA LYS A 81 6.651 -2.985 3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.144 -3.507 5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.436 -3.779 5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.129 -5.854 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.472 -5.061 3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.539 -5.863 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.916 -4.197 3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.370 -5.482 5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.873 -6.702 4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.692 -5.231 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.297 -5.060 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.810 -3.879 4.458 1.00 0.00 H new ATOM 1231 N ILE A 82 4.454 -2.302 4.110 1.00 0.00 N ATOM 1232 CA ILE A 82 3.179 -1.680 4.426 1.00 0.00 C ATOM 1233 C ILE A 82 2.179 -2.761 4.842 1.00 0.00 C ATOM 1234 O ILE A 82 1.711 -3.533 4.006 1.00 0.00 O ATOM 1235 CB ILE A 82 2.701 -0.816 3.258 1.00 0.00 C ATOM 1236 CG1 ILE A 82 3.709 0.292 2.946 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.301 -0.259 3.525 1.00 0.00 C ATOM 1238 CD1 ILE A 82 3.520 1.485 3.886 1.00 0.00 C ATOM 0 H ILE A 82 4.387 -3.158 3.559 1.00 0.00 H new ATOM 0 HA ILE A 82 3.285 -1.001 5.272 1.00 0.00 H new ATOM 0 HB ILE A 82 2.633 -1.447 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.723 -0.096 3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.590 0.616 1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.985 0.352 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.601 -1.084 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.319 0.352 4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.249 2.258 3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.513 1.885 3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.664 1.162 4.917 1.00 0.00 H new ATOM 1250 N MET A 83 1.880 -2.781 6.132 1.00 0.00 N ATOM 1251 CA MET A 83 0.944 -3.754 6.669 1.00 0.00 C ATOM 1252 C MET A 83 -0.502 -3.304 6.447 1.00 0.00 C ATOM 1253 O MET A 83 -0.822 -2.128 6.613 1.00 0.00 O ATOM 1254 CB MET A 83 1.198 -3.935 8.167 1.00 0.00 C ATOM 1255 CG MET A 83 1.274 -5.418 8.535 1.00 0.00 C ATOM 1256 SD MET A 83 2.639 -5.701 9.650 1.00 0.00 S ATOM 1257 CE MET A 83 3.874 -6.266 8.492 1.00 0.00 C ATOM 0 H MET A 83 2.270 -2.139 6.822 1.00 0.00 H new ATOM 0 HA MET A 83 1.095 -4.700 6.149 1.00 0.00 H new ATOM 0 HB2 MET A 83 2.129 -3.440 8.444 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.401 -3.456 8.735 1.00 0.00 H new ATOM 0 HG2 MET A 83 0.341 -5.734 9.002 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.399 -6.019 7.634 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.809 -6.455 9.020 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.533 -7.186 8.017 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.036 -5.503 7.731 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.335 -4.264 6.074 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.739 -3.982 5.827 1.00 0.00 C ATOM 1269 C VAL A 84 -3.600 -4.920 6.675 1.00 0.00 C ATOM 1270 O VAL A 84 -3.150 -5.994 7.071 1.00 0.00 O ATOM 1271 CB VAL A 84 -3.038 -4.085 4.330 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.399 -3.468 3.999 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -1.927 -3.436 3.503 1.00 0.00 C ATOM 0 H VAL A 84 -1.065 -5.238 5.937 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.982 -2.962 6.124 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.076 -5.142 4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.587 -3.554 2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.180 -3.994 4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.400 -2.416 4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.164 -3.523 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.842 -2.383 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.981 -3.939 3.706 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.824 -4.480 6.929 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.753 -5.268 7.722 1.00 0.00 C ATOM 1285 C VAL A 85 -7.141 -5.209 7.082 1.00 0.00 C ATOM 1286 O VAL A 85 -7.504 -4.207 6.469 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.743 -4.782 9.173 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -6.682 -5.624 10.039 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -4.323 -4.785 9.743 1.00 0.00 C ATOM 0 H VAL A 85 -5.194 -3.588 6.600 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.448 -6.314 7.740 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.106 -3.754 9.184 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.656 -5.258 11.065 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.698 -5.549 9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.361 -6.665 10.017 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.345 -4.435 10.775 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.920 -5.797 9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.691 -4.124 9.149 1.00 0.00 H new