USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 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 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 94 HIS : no HD1:sc= -0.566 X(o=-0.57,f=-0.44) USER MOD Single : A 11 SER OG : rot 180:sc= -2.13 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 170:sc= -1.04 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 24 SER OG : rot 160:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.192 K(o=0.19,f=-1.7) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0323) USER MOD Single : A 30 ASN : amide:sc= -0.087 K(o=-0.087,f=-3.2!) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0444) USER MOD Single : A 42 HIS :FLIP no HD1:sc= -1.17 F(o=-2.4,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ -128:sc= 0.824 (180deg=-0.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.0962 F(o=-0.6,f=-0.096) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 92:sc= 0.765 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -118:sc= 0.106 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -80:sc= -0.302 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 95 SER OG : rot -26:sc= 0.952 USER MOD Single : A 96 SER OG : rot 16:sc= -1.14 USER MOD Single : A 101 LYS NZ :NH3+ -115:sc= 0.389 (180deg=-1.45) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 11 -11.830 7.603 -7.154 1.00 0.00 N ATOM 183 CA SER A 11 -11.909 6.645 -6.054 1.00 0.00 C ATOM 184 C SER A 11 -13.325 6.600 -5.482 1.00 0.00 C ATOM 185 O SER A 11 -13.521 6.480 -4.272 1.00 0.00 O ATOM 186 CB SER A 11 -10.930 7.030 -4.941 1.00 0.00 C ATOM 187 OG SER A 11 -10.936 6.019 -3.942 1.00 0.00 O ATOM 0 HA SER A 11 -11.647 5.661 -6.444 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.926 7.149 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.213 7.989 -4.507 1.00 0.00 H new ATOM 0 HG SER A 11 -10.310 6.261 -3.228 1.00 0.00 H new ATOM 193 N ASP A 12 -14.313 6.695 -6.371 1.00 0.00 N ATOM 194 CA ASP A 12 -15.715 6.664 -5.952 1.00 0.00 C ATOM 195 C ASP A 12 -16.021 5.383 -5.179 1.00 0.00 C ATOM 196 O ASP A 12 -16.718 5.403 -4.164 1.00 0.00 O ATOM 197 CB ASP A 12 -16.639 6.744 -7.169 1.00 0.00 C ATOM 198 CG ASP A 12 -16.279 5.638 -8.156 1.00 0.00 C ATOM 199 OD1 ASP A 12 -15.294 5.797 -8.857 1.00 0.00 O ATOM 200 OD2 ASP A 12 -16.994 4.650 -8.195 1.00 0.00 O ATOM 0 H ASP A 12 -14.172 6.793 -7.376 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.888 7.524 -5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.678 6.643 -6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.543 7.718 -7.648 1.00 0.00 H new ATOM 205 N ALA A 13 -15.490 4.268 -5.672 1.00 0.00 N ATOM 206 CA ALA A 13 -15.709 2.977 -5.022 1.00 0.00 C ATOM 207 C ALA A 13 -14.520 2.611 -4.137 1.00 0.00 C ATOM 208 O ALA A 13 -14.665 1.901 -3.141 1.00 0.00 O ATOM 209 CB ALA A 13 -15.908 1.879 -6.067 1.00 0.00 C ATOM 0 H ALA A 13 -14.911 4.230 -6.511 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.605 3.061 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.070 0.925 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.775 2.116 -6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.021 1.812 -6.698 1.00 0.00 H new ATOM 215 N CYS A 14 -13.339 3.100 -4.511 1.00 0.00 N ATOM 216 CA CYS A 14 -12.127 2.814 -3.744 1.00 0.00 C ATOM 217 C CYS A 14 -12.070 3.644 -2.457 1.00 0.00 C ATOM 218 O CYS A 14 -11.261 3.370 -1.570 1.00 0.00 O ATOM 219 CB CYS A 14 -10.886 3.112 -4.584 1.00 0.00 C ATOM 220 SG CYS A 14 -10.696 1.831 -5.849 1.00 0.00 S ATOM 0 H CYS A 14 -13.195 3.690 -5.331 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.150 1.757 -3.478 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.977 4.092 -5.053 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.002 3.145 -3.948 1.00 0.00 H new ATOM 225 N LYS A 15 -12.930 4.662 -2.355 1.00 0.00 N ATOM 226 CA LYS A 15 -12.951 5.507 -1.163 1.00 0.00 C ATOM 227 C LYS A 15 -13.651 4.797 0.001 1.00 0.00 C ATOM 228 O LYS A 15 -13.452 5.149 1.163 1.00 0.00 O ATOM 229 CB LYS A 15 -13.681 6.822 -1.454 1.00 0.00 C ATOM 230 CG LYS A 15 -12.673 7.872 -1.926 1.00 0.00 C ATOM 231 CD LYS A 15 -13.408 9.174 -2.252 1.00 0.00 C ATOM 232 CE LYS A 15 -12.399 10.233 -2.697 1.00 0.00 C ATOM 233 NZ LYS A 15 -13.069 11.361 -3.405 1.00 0.00 N ATOM 0 H LYS A 15 -13.609 4.916 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.917 5.713 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.444 6.666 -2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.194 7.172 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.926 8.048 -1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.142 7.511 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.142 9.002 -3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.956 9.524 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.863 10.614 -1.828 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.658 9.778 -3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.357 12.062 -3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.560 10.999 -4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.758 11.810 -2.769 1.00 0.00 H new ATOM 247 N ALA A 16 -14.473 3.795 -0.320 1.00 0.00 N ATOM 248 CA ALA A 16 -15.193 3.049 0.711 1.00 0.00 C ATOM 249 C ALA A 16 -14.227 2.424 1.724 1.00 0.00 C ATOM 250 O ALA A 16 -14.619 2.093 2.843 1.00 0.00 O ATOM 251 CB ALA A 16 -16.030 1.937 0.077 1.00 0.00 C ATOM 0 H ALA A 16 -14.654 3.485 -1.275 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.843 3.754 1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.560 1.391 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.751 2.373 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.376 1.253 -0.465 1.00 0.00 H new ATOM 257 N GLU A 17 -12.964 2.263 1.325 1.00 0.00 N ATOM 258 CA GLU A 17 -11.969 1.674 2.217 1.00 0.00 C ATOM 259 C GLU A 17 -10.567 2.133 1.830 1.00 0.00 C ATOM 260 O GLU A 17 -9.772 2.530 2.682 1.00 0.00 O ATOM 261 CB GLU A 17 -12.029 0.147 2.154 1.00 0.00 C ATOM 262 CG GLU A 17 -11.134 -0.446 3.245 1.00 0.00 C ATOM 263 CD GLU A 17 -11.496 -1.913 3.458 1.00 0.00 C ATOM 264 OE1 GLU A 17 -12.567 -2.168 3.981 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.695 -2.758 3.094 1.00 0.00 O ATOM 0 H GLU A 17 -12.612 2.528 0.405 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.192 2.004 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.056 -0.193 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.703 -0.200 1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.086 -0.357 2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.259 0.109 4.175 1.00 0.00 H new ATOM 272 N SER A 18 -10.270 2.078 0.535 1.00 0.00 N ATOM 273 CA SER A 18 -8.959 2.494 0.046 1.00 0.00 C ATOM 274 C SER A 18 -8.858 4.020 0.034 1.00 0.00 C ATOM 275 O SER A 18 -8.744 4.648 -1.020 1.00 0.00 O ATOM 276 CB SER A 18 -8.715 1.956 -1.366 1.00 0.00 C ATOM 277 OG SER A 18 -9.475 0.769 -1.556 1.00 0.00 O ATOM 0 H SER A 18 -10.912 1.753 -0.188 1.00 0.00 H new ATOM 0 HA SER A 18 -8.202 2.087 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.997 2.704 -2.106 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.655 1.749 -1.510 1.00 0.00 H new ATOM 0 HG SER A 18 -9.450 0.512 -2.501 1.00 0.00 H new ATOM 283 N GLY A 19 -8.905 4.610 1.226 1.00 0.00 N ATOM 284 CA GLY A 19 -8.822 6.060 1.352 1.00 0.00 C ATOM 285 C GLY A 19 -7.382 6.501 1.587 1.00 0.00 C ATOM 286 O GLY A 19 -6.943 7.512 1.038 1.00 0.00 O ATOM 0 H GLY A 19 -8.999 4.110 2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.208 6.531 0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.449 6.394 2.179 1.00 0.00 H new ATOM 290 N VAL A 20 -6.667 5.711 2.411 1.00 0.00 N ATOM 291 CA VAL A 20 -5.248 5.954 2.779 1.00 0.00 C ATOM 292 C VAL A 20 -4.794 7.410 2.556 1.00 0.00 C ATOM 293 O VAL A 20 -4.518 7.831 1.431 1.00 0.00 O ATOM 294 CB VAL A 20 -4.341 4.997 1.985 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.459 5.283 0.487 1.00 0.00 C ATOM 296 CG2 VAL A 20 -2.881 5.167 2.426 1.00 0.00 C ATOM 0 H VAL A 20 -7.057 4.876 2.847 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.164 5.766 3.849 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.658 3.973 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.813 4.601 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.492 5.142 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.156 6.311 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.248 4.485 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.563 6.194 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.794 4.943 3.489 1.00 0.00 H new ATOM 306 N SER A 21 -4.722 8.167 3.649 1.00 0.00 N ATOM 307 CA SER A 21 -4.305 9.566 3.574 1.00 0.00 C ATOM 308 C SER A 21 -2.908 9.681 2.970 1.00 0.00 C ATOM 309 O SER A 21 -2.294 8.682 2.595 1.00 0.00 O ATOM 310 CB SER A 21 -4.297 10.196 4.967 1.00 0.00 C ATOM 311 OG SER A 21 -3.751 9.270 5.897 1.00 0.00 O ATOM 0 H SER A 21 -4.945 7.839 4.589 1.00 0.00 H new ATOM 0 HA SER A 21 -5.017 10.093 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.708 11.113 4.961 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.310 10.470 5.261 1.00 0.00 H new ATOM 0 HG SER A 21 -3.743 9.671 6.791 1.00 0.00 H new ATOM 317 N GLU A 22 -2.415 10.912 2.879 1.00 0.00 N ATOM 318 CA GLU A 22 -1.089 11.151 2.316 1.00 0.00 C ATOM 319 C GLU A 22 -0.012 10.953 3.385 1.00 0.00 C ATOM 320 O GLU A 22 0.752 11.867 3.704 1.00 0.00 O ATOM 321 CB GLU A 22 -0.994 12.571 1.751 1.00 0.00 C ATOM 322 CG GLU A 22 0.010 12.596 0.597 1.00 0.00 C ATOM 323 CD GLU A 22 -0.716 12.321 -0.716 1.00 0.00 C ATOM 324 OE1 GLU A 22 -1.282 13.253 -1.263 1.00 0.00 O ATOM 325 OE2 GLU A 22 -0.694 11.183 -1.154 1.00 0.00 O ATOM 0 H GLU A 22 -2.907 11.752 3.184 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.929 10.436 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.973 12.901 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.683 13.264 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.507 13.565 0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.786 11.848 0.760 1.00 0.00 H new ATOM 332 N GLU A 23 0.042 9.742 3.931 1.00 0.00 N ATOM 333 CA GLU A 23 1.029 9.424 4.958 1.00 0.00 C ATOM 334 C GLU A 23 2.089 8.484 4.396 1.00 0.00 C ATOM 335 O GLU A 23 3.255 8.853 4.253 1.00 0.00 O ATOM 336 CB GLU A 23 0.356 8.760 6.164 1.00 0.00 C ATOM 337 CG GLU A 23 1.088 9.163 7.446 1.00 0.00 C ATOM 338 CD GLU A 23 0.117 9.126 8.620 1.00 0.00 C ATOM 339 OE1 GLU A 23 -0.992 9.609 8.461 1.00 0.00 O ATOM 340 OE2 GLU A 23 0.496 8.616 9.661 1.00 0.00 O ATOM 0 H GLU A 23 -0.579 8.972 3.683 1.00 0.00 H new ATOM 0 HA GLU A 23 1.499 10.354 5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.690 9.061 6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.370 7.676 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.922 8.486 7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.507 10.163 7.339 1.00 0.00 H new ATOM 347 N SER A 24 1.670 7.264 4.073 1.00 0.00 N ATOM 348 CA SER A 24 2.589 6.275 3.519 1.00 0.00 C ATOM 349 C SER A 24 2.976 6.655 2.093 1.00 0.00 C ATOM 350 O SER A 24 4.101 6.419 1.654 1.00 0.00 O ATOM 351 CB SER A 24 1.943 4.890 3.508 1.00 0.00 C ATOM 352 OG SER A 24 1.376 4.626 4.784 1.00 0.00 O ATOM 0 H SER A 24 0.710 6.939 4.184 1.00 0.00 H new ATOM 0 HA SER A 24 3.480 6.252 4.146 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.173 4.841 2.738 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.686 4.131 3.264 1.00 0.00 H new ATOM 0 HG SER A 24 0.704 3.917 4.703 1.00 0.00 H new ATOM 358 N LEU A 25 2.024 7.248 1.377 1.00 0.00 N ATOM 359 CA LEU A 25 2.265 7.663 -0.003 1.00 0.00 C ATOM 360 C LEU A 25 3.400 8.684 -0.076 1.00 0.00 C ATOM 361 O LEU A 25 4.071 8.809 -1.100 1.00 0.00 O ATOM 362 CB LEU A 25 1.000 8.280 -0.602 1.00 0.00 C ATOM 363 CG LEU A 25 -0.056 7.279 -1.078 1.00 0.00 C ATOM 364 CD1 LEU A 25 -1.214 8.029 -1.736 1.00 0.00 C ATOM 365 CD2 LEU A 25 0.573 6.321 -2.093 1.00 0.00 C ATOM 0 H LEU A 25 1.087 7.451 1.725 1.00 0.00 H new ATOM 0 HA LEU A 25 2.546 6.777 -0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.547 8.934 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.287 8.909 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.430 6.713 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.965 7.315 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.662 8.712 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.842 8.596 -2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.177 5.607 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.947 6.888 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.398 5.784 -1.624 1.00 0.00 H new ATOM 377 N ASN A 26 3.608 9.415 1.018 1.00 0.00 N ATOM 378 CA ASN A 26 4.667 10.421 1.058 1.00 0.00 C ATOM 379 C ASN A 26 5.955 9.823 1.619 1.00 0.00 C ATOM 380 O ASN A 26 7.055 10.227 1.246 1.00 0.00 O ATOM 381 CB ASN A 26 4.247 11.606 1.930 1.00 0.00 C ATOM 382 CG ASN A 26 4.960 12.867 1.454 1.00 0.00 C ATOM 383 OD1 ASN A 26 4.842 13.253 0.291 1.00 0.00 O ATOM 384 ND2 ASN A 26 5.702 13.538 2.291 1.00 0.00 N ATOM 0 H ASN A 26 3.065 9.332 1.878 1.00 0.00 H new ATOM 0 HA ASN A 26 4.841 10.764 0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.167 11.745 1.878 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.493 11.408 2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.184 14.382 1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.800 13.219 3.255 1.00 0.00 H new ATOM 391 N LYS A 27 5.803 8.857 2.520 1.00 0.00 N ATOM 392 CA LYS A 27 6.961 8.206 3.131 1.00 0.00 C ATOM 393 C LYS A 27 7.461 7.034 2.278 1.00 0.00 C ATOM 394 O LYS A 27 8.552 6.512 2.510 1.00 0.00 O ATOM 395 CB LYS A 27 6.603 7.688 4.525 1.00 0.00 C ATOM 396 CG LYS A 27 6.644 8.843 5.527 1.00 0.00 C ATOM 397 CD LYS A 27 5.552 8.647 6.582 1.00 0.00 C ATOM 398 CE LYS A 27 5.146 10.005 7.155 1.00 0.00 C ATOM 399 NZ LYS A 27 4.546 9.866 8.512 1.00 0.00 N ATOM 0 H LYS A 27 4.900 8.509 2.842 1.00 0.00 H new ATOM 0 HA LYS A 27 7.754 8.951 3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.610 7.238 4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.303 6.908 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.622 8.888 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.498 9.791 5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.687 8.155 6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.914 7.998 7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.019 10.655 7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.431 10.484 6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.174 10.786 8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.772 9.172 8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.273 9.542 9.182 1.00 0.00 H new ATOM 413 N VAL A 28 6.660 6.618 1.293 1.00 0.00 N ATOM 414 CA VAL A 28 7.046 5.506 0.428 1.00 0.00 C ATOM 415 C VAL A 28 8.335 5.829 -0.323 1.00 0.00 C ATOM 416 O VAL A 28 9.227 4.992 -0.457 1.00 0.00 O ATOM 417 CB VAL A 28 5.922 5.205 -0.576 1.00 0.00 C ATOM 418 CG1 VAL A 28 5.732 6.377 -1.549 1.00 0.00 C ATOM 419 CG2 VAL A 28 6.263 3.939 -1.364 1.00 0.00 C ATOM 0 H VAL A 28 5.752 7.030 1.078 1.00 0.00 H new ATOM 0 HA VAL A 28 7.217 4.629 1.052 1.00 0.00 H new ATOM 0 HB VAL A 28 4.995 5.058 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.931 6.142 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.472 7.276 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.658 6.547 -2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.465 3.727 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.199 4.087 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.368 3.100 -0.676 1.00 0.00 H new ATOM 429 N ARG A 29 8.407 7.061 -0.813 1.00 0.00 N ATOM 430 CA ARG A 29 9.581 7.519 -1.564 1.00 0.00 C ATOM 431 C ARG A 29 10.863 7.311 -0.758 1.00 0.00 C ATOM 432 O ARG A 29 11.936 7.086 -1.321 1.00 0.00 O ATOM 433 CB ARG A 29 9.445 9.003 -1.914 1.00 0.00 C ATOM 434 CG ARG A 29 9.231 9.816 -0.637 1.00 0.00 C ATOM 435 CD ARG A 29 8.438 11.083 -0.966 1.00 0.00 C ATOM 436 NE ARG A 29 8.711 12.132 0.013 1.00 0.00 N ATOM 437 CZ ARG A 29 8.838 13.403 -0.361 1.00 0.00 C ATOM 438 NH1 ARG A 29 7.781 14.161 -0.462 1.00 0.00 N ATOM 439 NH2 ARG A 29 10.018 13.890 -0.628 1.00 0.00 N ATOM 0 H ARG A 29 7.673 7.761 -0.707 1.00 0.00 H new ATOM 0 HA ARG A 29 9.638 6.930 -2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.341 9.348 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.607 9.151 -2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.694 9.220 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.192 10.080 -0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.700 11.433 -1.964 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.372 10.858 -0.977 1.00 0.00 H new ATOM 0 HE ARG A 29 8.806 11.887 0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.858 13.779 -0.254 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.878 15.135 -0.749 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.844 13.297 -0.550 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.115 14.864 -0.915 1.00 0.00 H new ATOM 453 N ASN A 30 10.740 7.384 0.563 1.00 0.00 N ATOM 454 CA ASN A 30 11.896 7.198 1.437 1.00 0.00 C ATOM 455 C ASN A 30 12.110 5.713 1.716 1.00 0.00 C ATOM 456 O ASN A 30 11.165 4.923 1.700 1.00 0.00 O ATOM 457 CB ASN A 30 11.690 7.931 2.764 1.00 0.00 C ATOM 458 CG ASN A 30 13.039 8.142 3.443 1.00 0.00 C ATOM 459 OD1 ASN A 30 13.392 7.420 4.375 1.00 0.00 O ATOM 460 ND2 ASN A 30 13.822 9.099 3.027 1.00 0.00 N ATOM 0 H ASN A 30 9.863 7.568 1.049 1.00 0.00 H new ATOM 0 HA ASN A 30 12.772 7.607 0.933 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.204 8.891 2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.031 7.353 3.412 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.726 9.249 3.474 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.530 9.698 2.255 1.00 0.00 H new ATOM 467 N ARG A 31 13.362 5.343 1.971 1.00 0.00 N ATOM 468 CA ARG A 31 13.688 3.948 2.252 1.00 0.00 C ATOM 469 C ARG A 31 13.248 3.575 3.667 1.00 0.00 C ATOM 470 O ARG A 31 14.071 3.335 4.552 1.00 0.00 O ATOM 471 CB ARG A 31 15.192 3.708 2.103 1.00 0.00 C ATOM 472 CG ARG A 31 15.657 4.201 0.731 1.00 0.00 C ATOM 473 CD ARG A 31 16.863 3.378 0.276 1.00 0.00 C ATOM 474 NE ARG A 31 17.756 4.188 -0.550 1.00 0.00 N ATOM 475 CZ ARG A 31 18.931 4.602 -0.085 1.00 0.00 C ATOM 476 NH1 ARG A 31 19.932 3.769 -0.007 1.00 0.00 N ATOM 477 NH2 ARG A 31 19.082 5.841 0.295 1.00 0.00 N ATOM 0 H ARG A 31 14.158 5.980 1.989 1.00 0.00 H new ATOM 0 HA ARG A 31 13.156 3.323 1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.734 4.231 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.414 2.647 2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.847 4.111 0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.922 5.257 0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.403 3.003 1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.525 2.509 -0.288 1.00 0.00 H new ATOM 0 HE ARG A 31 17.474 4.440 -1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.813 2.800 -0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 31 20.833 4.087 0.350 1.00 0.00 H new ATOM 0 HH21 ARG A 31 18.299 6.492 0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.983 6.159 0.652 1.00 0.00 H new ATOM 491 N GLU A 32 11.934 3.532 3.868 1.00 0.00 N ATOM 492 CA GLU A 32 11.381 3.190 5.176 1.00 0.00 C ATOM 493 C GLU A 32 10.717 1.814 5.141 1.00 0.00 C ATOM 494 O GLU A 32 10.645 1.120 6.156 1.00 0.00 O ATOM 495 CB GLU A 32 10.345 4.231 5.606 1.00 0.00 C ATOM 496 CG GLU A 32 11.060 5.462 6.167 1.00 0.00 C ATOM 497 CD GLU A 32 10.033 6.539 6.498 1.00 0.00 C ATOM 498 OE1 GLU A 32 9.262 6.331 7.419 1.00 0.00 O ATOM 499 OE2 GLU A 32 10.034 7.557 5.825 1.00 0.00 O ATOM 0 H GLU A 32 11.237 3.728 3.149 1.00 0.00 H new ATOM 0 HA GLU A 32 12.203 3.174 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.724 4.514 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.681 3.808 6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.622 5.193 7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.779 5.841 5.441 1.00 0.00 H new ATOM 506 N GLU A 33 10.230 1.425 3.962 1.00 0.00 N ATOM 507 CA GLU A 33 9.569 0.129 3.803 1.00 0.00 C ATOM 508 C GLU A 33 8.285 0.080 4.625 1.00 0.00 C ATOM 509 O GLU A 33 8.313 -0.120 5.839 1.00 0.00 O ATOM 510 CB GLU A 33 10.491 -1.012 4.248 1.00 0.00 C ATOM 511 CG GLU A 33 9.956 -2.341 3.710 1.00 0.00 C ATOM 512 CD GLU A 33 8.952 -2.923 4.698 1.00 0.00 C ATOM 513 OE1 GLU A 33 9.383 -3.563 5.643 1.00 0.00 O ATOM 514 OE2 GLU A 33 7.766 -2.720 4.497 1.00 0.00 O ATOM 0 H GLU A 33 10.280 1.983 3.110 1.00 0.00 H new ATOM 0 HA GLU A 33 9.331 0.006 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.503 -0.840 3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.548 -1.044 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.482 -2.188 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.778 -3.040 3.556 1.00 0.00 H new ATOM 521 N VAL A 34 7.156 0.264 3.944 1.00 0.00 N ATOM 522 CA VAL A 34 5.859 0.240 4.612 1.00 0.00 C ATOM 523 C VAL A 34 4.844 -0.525 3.760 1.00 0.00 C ATOM 524 O VAL A 34 4.766 -0.339 2.545 1.00 0.00 O ATOM 525 CB VAL A 34 5.363 1.674 4.865 1.00 0.00 C ATOM 526 CG1 VAL A 34 5.183 2.411 3.533 1.00 0.00 C ATOM 527 CG2 VAL A 34 4.024 1.638 5.612 1.00 0.00 C ATOM 0 H VAL A 34 7.114 0.430 2.938 1.00 0.00 H new ATOM 0 HA VAL A 34 5.968 -0.266 5.571 1.00 0.00 H new ATOM 0 HB VAL A 34 6.102 2.199 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.832 3.425 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.137 2.450 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.452 1.883 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.678 2.657 5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.287 1.103 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.154 1.129 6.567 1.00 0.00 H new ATOM 537 N ASP A 35 4.070 -1.389 4.410 1.00 0.00 N ATOM 538 CA ASP A 35 3.068 -2.180 3.701 1.00 0.00 C ATOM 539 C ASP A 35 1.730 -1.440 3.662 1.00 0.00 C ATOM 540 O ASP A 35 1.354 -0.873 2.636 1.00 0.00 O ATOM 541 CB ASP A 35 2.879 -3.540 4.381 1.00 0.00 C ATOM 542 CG ASP A 35 4.122 -4.394 4.166 1.00 0.00 C ATOM 543 OD1 ASP A 35 4.300 -4.880 3.061 1.00 0.00 O ATOM 544 OD2 ASP A 35 4.880 -4.551 5.110 1.00 0.00 O ATOM 0 H ASP A 35 4.115 -1.559 5.415 1.00 0.00 H new ATOM 0 HA ASP A 35 3.420 -2.336 2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.699 -3.403 5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.003 -4.044 3.972 1.00 0.00 H new ATOM 549 N ASP A 36 1.018 -1.456 4.791 1.00 0.00 N ATOM 550 CA ASP A 36 -0.282 -0.787 4.886 1.00 0.00 C ATOM 551 C ASP A 36 -1.290 -1.432 3.922 1.00 0.00 C ATOM 552 O ASP A 36 -0.999 -1.603 2.739 1.00 0.00 O ATOM 553 CB ASP A 36 -0.152 0.704 4.552 1.00 0.00 C ATOM 554 CG ASP A 36 0.079 1.496 5.835 1.00 0.00 C ATOM 555 OD1 ASP A 36 1.184 1.441 6.351 1.00 0.00 O ATOM 556 OD2 ASP A 36 -0.851 2.145 6.284 1.00 0.00 O ATOM 0 H ASP A 36 1.317 -1.922 5.648 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.638 -0.895 5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.676 0.862 3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.055 1.056 4.053 1.00 0.00 H new ATOM 561 N PRO A 37 -2.486 -1.801 4.408 1.00 0.00 N ATOM 562 CA PRO A 37 -3.510 -2.427 3.561 1.00 0.00 C ATOM 563 C PRO A 37 -4.163 -1.435 2.599 1.00 0.00 C ATOM 564 O PRO A 37 -4.213 -1.664 1.390 1.00 0.00 O ATOM 565 CB PRO A 37 -4.537 -2.963 4.556 1.00 0.00 C ATOM 566 CG PRO A 37 -4.379 -2.120 5.774 1.00 0.00 C ATOM 567 CD PRO A 37 -2.952 -1.653 5.799 1.00 0.00 C ATOM 0 HA PRO A 37 -3.081 -3.199 2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.548 -2.890 4.156 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.357 -4.015 4.779 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.063 -1.271 5.748 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.614 -2.691 6.672 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.880 -0.618 6.133 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.351 -2.252 6.484 1.00 0.00 H new ATOM 575 N LYS A 38 -4.664 -0.330 3.150 1.00 0.00 N ATOM 576 CA LYS A 38 -5.319 0.698 2.337 1.00 0.00 C ATOM 577 C LYS A 38 -4.400 1.180 1.215 1.00 0.00 C ATOM 578 O LYS A 38 -4.859 1.559 0.137 1.00 0.00 O ATOM 579 CB LYS A 38 -5.710 1.894 3.206 1.00 0.00 C ATOM 580 CG LYS A 38 -6.746 1.454 4.243 1.00 0.00 C ATOM 581 CD LYS A 38 -7.114 2.643 5.134 1.00 0.00 C ATOM 582 CE LYS A 38 -8.347 2.293 5.968 1.00 0.00 C ATOM 583 NZ LYS A 38 -8.068 1.169 6.907 1.00 0.00 N ATOM 0 H LYS A 38 -4.630 -0.123 4.148 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.212 0.252 1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.829 2.298 3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.118 2.691 2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.636 1.071 3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.346 0.641 4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.279 2.893 5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.314 3.522 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.667 3.169 6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.170 2.021 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.876 1.045 7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.919 0.294 6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.214 1.383 7.461 1.00 0.00 H new ATOM 597 N LEU A 39 -3.097 1.166 1.483 1.00 0.00 N ATOM 598 CA LEU A 39 -2.120 1.607 0.493 1.00 0.00 C ATOM 599 C LEU A 39 -2.113 0.670 -0.713 1.00 0.00 C ATOM 600 O LEU A 39 -2.116 1.114 -1.861 1.00 0.00 O ATOM 601 CB LEU A 39 -0.719 1.649 1.111 1.00 0.00 C ATOM 602 CG LEU A 39 0.135 2.854 0.714 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.538 2.704 1.302 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.230 2.932 -0.813 1.00 0.00 C ATOM 0 H LEU A 39 -2.696 0.857 2.369 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.401 2.607 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.818 1.637 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.188 0.740 0.829 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.325 3.765 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.145 3.563 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.473 2.649 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.997 1.793 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.839 3.791 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.688 2.020 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.769 3.041 -1.235 1.00 0.00 H new ATOM 616 N LYS A 40 -2.099 -0.630 -0.437 1.00 0.00 N ATOM 617 CA LYS A 40 -2.087 -1.625 -1.506 1.00 0.00 C ATOM 618 C LYS A 40 -3.355 -1.522 -2.346 1.00 0.00 C ATOM 619 O LYS A 40 -3.314 -1.608 -3.573 1.00 0.00 O ATOM 620 CB LYS A 40 -1.987 -3.035 -0.923 1.00 0.00 C ATOM 621 CG LYS A 40 -0.607 -3.230 -0.293 1.00 0.00 C ATOM 622 CD LYS A 40 -0.714 -4.210 0.875 1.00 0.00 C ATOM 623 CE LYS A 40 0.685 -4.672 1.284 1.00 0.00 C ATOM 624 NZ LYS A 40 0.624 -5.746 2.317 1.00 0.00 N ATOM 0 H LYS A 40 -2.096 -1.017 0.507 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.219 -1.431 -2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.765 -3.187 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.149 -3.776 -1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.094 -3.609 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.216 -2.274 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.212 -3.733 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.323 -5.068 0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.219 -5.038 0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.251 -3.825 1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.589 -6.037 2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.135 -5.387 3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.105 -6.563 1.938 1.00 0.00 H new ATOM 638 N GLU A 41 -4.485 -1.337 -1.671 1.00 0.00 N ATOM 639 CA GLU A 41 -5.767 -1.224 -2.362 1.00 0.00 C ATOM 640 C GLU A 41 -5.782 0.005 -3.266 1.00 0.00 C ATOM 641 O GLU A 41 -6.157 -0.071 -4.436 1.00 0.00 O ATOM 642 CB GLU A 41 -6.911 -1.113 -1.353 1.00 0.00 C ATOM 643 CG GLU A 41 -7.291 -2.509 -0.855 1.00 0.00 C ATOM 644 CD GLU A 41 -6.207 -3.026 0.085 1.00 0.00 C ATOM 645 OE1 GLU A 41 -5.194 -3.493 -0.410 1.00 0.00 O ATOM 646 OE2 GLU A 41 -6.406 -2.947 1.286 1.00 0.00 O ATOM 0 H GLU A 41 -4.541 -1.263 -0.655 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.901 -2.121 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.610 -0.486 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.773 -0.634 -1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.250 -2.474 -0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.409 -3.188 -1.699 1.00 0.00 H new ATOM 653 N HIS A 42 -5.368 1.144 -2.707 1.00 0.00 N ATOM 654 CA HIS A 42 -5.336 2.403 -3.461 1.00 0.00 C ATOM 655 C HIS A 42 -4.595 2.238 -4.789 1.00 0.00 C ATOM 656 O HIS A 42 -5.128 2.545 -5.854 1.00 0.00 O ATOM 657 CB HIS A 42 -4.644 3.496 -2.641 1.00 0.00 C ATOM 658 CG HIS A 42 -4.828 4.831 -3.316 1.00 0.00 C ATOM 659 ND1 HIS A 42 -4.611 5.244 -4.608 1.00 0.00 N flip ATOM 660 CD2 HIS A 42 -5.293 5.945 -2.636 1.00 0.00 C flip ATOM 661 CE1 HIS A 42 -4.937 6.592 -4.728 1.00 0.00 C flip ATOM 662 NE2 HIS A 42 -5.342 6.964 -3.512 1.00 0.00 N flip ATOM 0 H HIS A 42 -5.052 1.223 -1.741 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.368 2.687 -3.665 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.060 3.527 -1.634 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.582 3.272 -2.541 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -5.566 5.987 -1.592 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.875 7.205 -5.615 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -5.651 7.907 -3.276 1.00 0.00 H new ATOM 670 N ALA A 43 -3.357 1.749 -4.709 1.00 0.00 N ATOM 671 CA ALA A 43 -2.537 1.547 -5.909 1.00 0.00 C ATOM 672 C ALA A 43 -3.285 0.724 -6.959 1.00 0.00 C ATOM 673 O ALA A 43 -3.364 1.107 -8.126 1.00 0.00 O ATOM 674 CB ALA A 43 -1.236 0.828 -5.549 1.00 0.00 C ATOM 0 H ALA A 43 -2.901 1.487 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.314 2.530 -6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.638 0.685 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.675 1.428 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.466 -0.142 -5.109 1.00 0.00 H new ATOM 680 N PHE A 44 -3.833 -0.410 -6.528 1.00 0.00 N ATOM 681 CA PHE A 44 -4.575 -1.286 -7.437 1.00 0.00 C ATOM 682 C PHE A 44 -5.728 -0.536 -8.104 1.00 0.00 C ATOM 683 O PHE A 44 -6.134 -0.861 -9.219 1.00 0.00 O ATOM 684 CB PHE A 44 -5.133 -2.493 -6.678 1.00 0.00 C ATOM 685 CG PHE A 44 -5.663 -3.515 -7.661 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.849 -3.969 -8.709 1.00 0.00 C ATOM 687 CD2 PHE A 44 -6.964 -4.011 -7.522 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.338 -4.917 -9.615 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.453 -4.960 -8.429 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.640 -5.413 -9.475 1.00 0.00 C ATOM 0 H PHE A 44 -3.779 -0.743 -5.565 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.882 -1.626 -8.207 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.353 -2.939 -6.061 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.929 -2.175 -6.005 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.845 -3.587 -8.817 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.591 -3.662 -6.715 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.711 -5.266 -10.422 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.457 -5.342 -8.321 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.017 -6.145 -10.174 1.00 0.00 H new ATOM 700 N CYS A 45 -6.251 0.469 -7.406 1.00 0.00 N ATOM 701 CA CYS A 45 -7.358 1.258 -7.939 1.00 0.00 C ATOM 702 C CYS A 45 -6.916 2.057 -9.163 1.00 0.00 C ATOM 703 O CYS A 45 -7.705 2.309 -10.074 1.00 0.00 O ATOM 704 CB CYS A 45 -7.881 2.226 -6.876 1.00 0.00 C ATOM 705 SG CYS A 45 -9.576 2.711 -7.281 1.00 0.00 S ATOM 0 H CYS A 45 -5.931 0.754 -6.481 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.150 0.567 -8.229 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.852 1.754 -5.894 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.242 3.107 -6.826 1.00 0.00 H new ATOM 710 N ILE A 46 -5.646 2.455 -9.173 1.00 0.00 N ATOM 711 CA ILE A 46 -5.109 3.231 -10.290 1.00 0.00 C ATOM 712 C ILE A 46 -4.467 2.288 -11.313 1.00 0.00 C ATOM 713 O ILE A 46 -4.452 2.573 -12.509 1.00 0.00 O ATOM 714 CB ILE A 46 -4.083 4.274 -9.778 1.00 0.00 C ATOM 715 CG1 ILE A 46 -4.827 5.425 -9.091 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.261 4.862 -10.938 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.545 4.916 -7.841 1.00 0.00 C ATOM 0 H ILE A 46 -4.976 2.257 -8.430 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.922 3.770 -10.776 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.412 3.771 -9.082 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.124 6.212 -8.820 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.548 5.865 -9.780 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.550 5.590 -10.548 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.720 4.062 -11.443 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.930 5.351 -11.646 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.070 5.742 -7.361 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.262 4.145 -8.122 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.816 4.498 -7.147 1.00 0.00 H new ATOM 729 N LEU A 47 -3.941 1.161 -10.834 1.00 0.00 N ATOM 730 CA LEU A 47 -3.311 0.193 -11.729 1.00 0.00 C ATOM 731 C LEU A 47 -4.322 -0.300 -12.768 1.00 0.00 C ATOM 732 O LEU A 47 -4.009 -0.423 -13.952 1.00 0.00 O ATOM 733 CB LEU A 47 -2.763 -0.998 -10.928 1.00 0.00 C ATOM 734 CG LEU A 47 -1.237 -1.050 -10.780 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.601 -1.328 -12.143 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.725 0.290 -10.243 1.00 0.00 C ATOM 0 H LEU A 47 -3.938 0.899 -9.848 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.483 0.683 -12.242 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.206 -0.978 -9.932 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.095 -1.919 -11.407 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.970 -1.845 -10.084 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.483 -1.365 -12.038 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.961 -2.283 -12.525 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.871 -0.534 -12.839 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.359 0.250 -10.139 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.994 1.087 -10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.176 0.488 -9.271 1.00 0.00 H new ATOM 748 N LYS A 48 -5.542 -0.564 -12.305 1.00 0.00 N ATOM 749 CA LYS A 48 -6.601 -1.031 -13.196 1.00 0.00 C ATOM 750 C LYS A 48 -7.009 0.079 -14.167 1.00 0.00 C ATOM 751 O LYS A 48 -7.290 -0.175 -15.338 1.00 0.00 O ATOM 752 CB LYS A 48 -7.833 -1.460 -12.390 1.00 0.00 C ATOM 753 CG LYS A 48 -7.761 -2.961 -12.088 1.00 0.00 C ATOM 754 CD LYS A 48 -8.956 -3.365 -11.219 1.00 0.00 C ATOM 755 CE LYS A 48 -8.859 -2.672 -9.858 1.00 0.00 C ATOM 756 NZ LYS A 48 -9.773 -3.300 -8.860 1.00 0.00 N ATOM 0 H LYS A 48 -5.820 -0.464 -11.329 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.216 -1.884 -13.755 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.885 -0.895 -11.459 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.741 -1.236 -12.950 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.765 -3.530 -13.017 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.829 -3.195 -11.574 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.888 -3.089 -11.713 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.973 -4.447 -11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.832 -2.722 -9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.107 -1.616 -9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.362 -2.565 -8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.384 -3.993 -9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.211 -3.780 -8.128 1.00 0.00 H new ATOM 770 N ARG A 49 -7.048 1.312 -13.661 1.00 0.00 N ATOM 771 CA ARG A 49 -7.437 2.454 -14.487 1.00 0.00 C ATOM 772 C ARG A 49 -6.333 2.820 -15.479 1.00 0.00 C ATOM 773 O ARG A 49 -6.598 3.082 -16.652 1.00 0.00 O ATOM 774 CB ARG A 49 -7.736 3.671 -13.608 1.00 0.00 C ATOM 775 CG ARG A 49 -9.220 3.675 -13.229 1.00 0.00 C ATOM 776 CD ARG A 49 -10.075 3.914 -14.478 1.00 0.00 C ATOM 777 NE ARG A 49 -11.114 4.903 -14.207 1.00 0.00 N ATOM 778 CZ ARG A 49 -12.267 4.887 -14.871 1.00 0.00 C ATOM 779 NH1 ARG A 49 -12.285 4.593 -16.143 1.00 0.00 N ATOM 780 NH2 ARG A 49 -13.381 5.164 -14.250 1.00 0.00 N ATOM 0 H ARG A 49 -6.818 1.544 -12.695 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.332 2.168 -15.040 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.120 3.644 -12.709 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.483 4.588 -14.140 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.490 2.724 -12.769 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.414 4.453 -12.490 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.444 4.257 -15.298 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.531 2.977 -14.798 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.954 5.618 -13.497 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.415 4.375 -16.628 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.169 4.581 -16.651 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.368 5.393 -13.256 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.265 5.152 -14.759 1.00 0.00 H new ATOM 794 N ALA A 50 -5.096 2.846 -14.993 1.00 0.00 N ATOM 795 CA ALA A 50 -3.956 3.192 -15.842 1.00 0.00 C ATOM 796 C ALA A 50 -3.852 2.246 -17.036 1.00 0.00 C ATOM 797 O ALA A 50 -3.339 2.614 -18.092 1.00 0.00 O ATOM 798 CB ALA A 50 -2.655 3.125 -15.040 1.00 0.00 C ATOM 0 H ALA A 50 -4.856 2.634 -14.025 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.113 4.207 -16.206 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.816 3.385 -15.685 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.704 3.827 -14.208 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.517 2.115 -14.655 1.00 0.00 H new ATOM 804 N GLY A 51 -4.341 1.022 -16.858 1.00 0.00 N ATOM 805 CA GLY A 51 -4.294 0.032 -17.928 1.00 0.00 C ATOM 806 C GLY A 51 -3.015 -0.799 -17.853 1.00 0.00 C ATOM 807 O GLY A 51 -2.551 -1.337 -18.858 1.00 0.00 O ATOM 0 H GLY A 51 -4.770 0.695 -15.992 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.162 -0.624 -17.859 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.349 0.533 -18.894 1.00 0.00 H new ATOM 811 N PHE A 52 -2.454 -0.904 -16.649 1.00 0.00 N ATOM 812 CA PHE A 52 -1.233 -1.679 -16.457 1.00 0.00 C ATOM 813 C PHE A 52 -1.586 -3.135 -16.177 1.00 0.00 C ATOM 814 O PHE A 52 -0.919 -4.056 -16.646 1.00 0.00 O ATOM 815 CB PHE A 52 -0.428 -1.126 -15.278 1.00 0.00 C ATOM 816 CG PHE A 52 0.446 0.012 -15.749 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.331 -0.178 -16.818 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.370 1.258 -15.116 1.00 0.00 C ATOM 819 CE1 PHE A 52 2.141 0.879 -17.252 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.180 2.314 -15.549 1.00 0.00 C ATOM 821 CZ PHE A 52 2.065 2.125 -16.618 1.00 0.00 C ATOM 0 H PHE A 52 -2.821 -0.468 -15.803 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.634 -1.610 -17.365 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.103 -0.780 -14.495 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.187 -1.914 -14.843 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.389 -1.139 -17.307 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.314 1.405 -14.293 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.824 0.733 -18.076 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.123 3.275 -15.059 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.689 2.940 -16.953 1.00 0.00 H new ATOM 831 N ILE A 53 -2.654 -3.323 -15.409 1.00 0.00 N ATOM 832 CA ILE A 53 -3.113 -4.662 -15.064 1.00 0.00 C ATOM 833 C ILE A 53 -4.614 -4.775 -15.340 1.00 0.00 C ATOM 834 O ILE A 53 -5.352 -3.798 -15.222 1.00 0.00 O ATOM 835 CB ILE A 53 -2.820 -4.959 -13.584 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.228 -6.397 -13.252 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.593 -3.989 -12.685 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.544 -6.830 -11.952 1.00 0.00 C ATOM 0 H ILE A 53 -3.215 -2.568 -15.015 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.581 -5.392 -15.674 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.752 -4.834 -13.408 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.311 -6.465 -13.147 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.944 -7.065 -14.066 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.376 -4.210 -11.640 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.291 -2.966 -12.909 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.662 -4.099 -12.865 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.832 -7.854 -11.713 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.462 -6.777 -12.075 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.850 -6.168 -11.142 1.00 0.00 H new ATOM 850 N ASP A 54 -5.056 -5.970 -15.721 1.00 0.00 N ATOM 851 CA ASP A 54 -6.470 -6.174 -16.020 1.00 0.00 C ATOM 852 C ASP A 54 -7.229 -6.637 -14.782 1.00 0.00 C ATOM 853 O ASP A 54 -6.637 -6.976 -13.757 1.00 0.00 O ATOM 854 CB ASP A 54 -6.648 -7.211 -17.133 1.00 0.00 C ATOM 855 CG ASP A 54 -5.896 -8.494 -16.786 1.00 0.00 C ATOM 856 OD1 ASP A 54 -5.685 -8.742 -15.608 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.547 -9.216 -17.705 1.00 0.00 O ATOM 0 H ASP A 54 -4.469 -6.797 -15.829 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.873 -5.217 -16.350 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.707 -7.428 -17.271 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.279 -6.809 -18.077 1.00 0.00 H new ATOM 862 N ALA A 55 -8.556 -6.643 -14.899 1.00 0.00 N ATOM 863 CA ALA A 55 -9.424 -7.057 -13.797 1.00 0.00 C ATOM 864 C ALA A 55 -9.067 -8.454 -13.272 1.00 0.00 C ATOM 865 O ALA A 55 -9.461 -8.823 -12.165 1.00 0.00 O ATOM 866 CB ALA A 55 -10.885 -7.063 -14.251 1.00 0.00 C ATOM 0 H ALA A 55 -9.054 -6.366 -15.745 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.277 -6.338 -12.991 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.522 -7.373 -13.423 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.170 -6.061 -14.573 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.005 -7.759 -15.081 1.00 0.00 H new ATOM 872 N SER A 56 -8.339 -9.238 -14.069 1.00 0.00 N ATOM 873 CA SER A 56 -7.970 -10.590 -13.652 1.00 0.00 C ATOM 874 C SER A 56 -6.664 -10.578 -12.863 1.00 0.00 C ATOM 875 O SER A 56 -6.451 -11.411 -11.982 1.00 0.00 O ATOM 876 CB SER A 56 -7.807 -11.499 -14.870 1.00 0.00 C ATOM 877 OG SER A 56 -7.918 -12.856 -14.462 1.00 0.00 O ATOM 0 H SER A 56 -7.999 -8.966 -14.991 1.00 0.00 H new ATOM 0 HA SER A 56 -8.769 -10.970 -13.016 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.568 -11.268 -15.615 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.839 -11.327 -15.340 1.00 0.00 H new ATOM 0 HG SER A 56 -7.815 -13.441 -15.241 1.00 0.00 H new ATOM 883 N GLY A 57 -5.799 -9.616 -13.169 1.00 0.00 N ATOM 884 CA GLY A 57 -4.531 -9.501 -12.461 1.00 0.00 C ATOM 885 C GLY A 57 -3.345 -9.898 -13.337 1.00 0.00 C ATOM 886 O GLY A 57 -2.294 -10.293 -12.831 1.00 0.00 O ATOM 0 H GLY A 57 -5.951 -8.914 -13.893 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.400 -8.475 -12.118 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.553 -10.134 -11.574 1.00 0.00 H new ATOM 890 N GLU A 58 -3.511 -9.778 -14.651 1.00 0.00 N ATOM 891 CA GLU A 58 -2.427 -10.117 -15.570 1.00 0.00 C ATOM 892 C GLU A 58 -1.462 -8.941 -15.684 1.00 0.00 C ATOM 893 O GLU A 58 -1.798 -7.903 -16.252 1.00 0.00 O ATOM 894 CB GLU A 58 -2.972 -10.449 -16.962 1.00 0.00 C ATOM 895 CG GLU A 58 -4.094 -11.484 -16.843 1.00 0.00 C ATOM 896 CD GLU A 58 -4.435 -12.025 -18.228 1.00 0.00 C ATOM 897 OE1 GLU A 58 -4.985 -11.273 -19.017 1.00 0.00 O ATOM 898 OE2 GLU A 58 -4.142 -13.181 -18.479 1.00 0.00 O ATOM 0 H GLU A 58 -4.369 -9.455 -15.098 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.909 -10.991 -15.175 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.347 -9.545 -17.441 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.172 -10.836 -17.593 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.784 -12.299 -16.189 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.976 -11.030 -16.391 1.00 0.00 H new ATOM 905 N PHE A 59 -0.264 -9.107 -15.131 1.00 0.00 N ATOM 906 CA PHE A 59 0.728 -8.035 -15.176 1.00 0.00 C ATOM 907 C PHE A 59 1.226 -7.816 -16.600 1.00 0.00 C ATOM 908 O PHE A 59 1.353 -8.753 -17.388 1.00 0.00 O ATOM 909 CB PHE A 59 1.931 -8.332 -14.264 1.00 0.00 C ATOM 910 CG PHE A 59 2.408 -9.757 -14.449 1.00 0.00 C ATOM 911 CD1 PHE A 59 3.068 -10.132 -15.626 1.00 0.00 C ATOM 912 CD2 PHE A 59 2.194 -10.701 -13.436 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.513 -11.449 -15.789 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.639 -12.017 -13.600 1.00 0.00 C ATOM 915 CZ PHE A 59 3.298 -12.392 -14.776 1.00 0.00 C ATOM 0 H PHE A 59 0.041 -9.956 -14.655 1.00 0.00 H new ATOM 0 HA PHE A 59 0.233 -7.132 -14.818 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.743 -7.640 -14.489 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.652 -8.169 -13.223 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.234 -9.405 -16.408 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.685 -10.412 -12.528 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.022 -11.738 -16.696 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.474 -12.744 -12.819 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.641 -13.408 -14.903 1.00 0.00 H new ATOM 925 N GLN A 60 1.507 -6.554 -16.913 1.00 0.00 N ATOM 926 CA GLN A 60 2.000 -6.188 -18.238 1.00 0.00 C ATOM 927 C GLN A 60 3.219 -5.286 -18.092 1.00 0.00 C ATOM 928 O GLN A 60 3.105 -4.063 -18.063 1.00 0.00 O ATOM 929 CB GLN A 60 0.921 -5.446 -19.030 1.00 0.00 C ATOM 930 CG GLN A 60 -0.084 -6.454 -19.592 1.00 0.00 C ATOM 931 CD GLN A 60 -1.256 -5.706 -20.220 1.00 0.00 C ATOM 932 OE1 GLN A 60 -1.084 -4.974 -21.194 1.00 0.00 O ATOM 933 NE2 GLN A 60 -2.450 -5.849 -19.714 1.00 0.00 N ATOM 0 H GLN A 60 1.402 -5.770 -16.270 1.00 0.00 H new ATOM 0 HA GLN A 60 2.267 -7.099 -18.773 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.411 -4.729 -18.387 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.376 -4.879 -19.842 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.398 -7.088 -20.336 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.441 -7.110 -18.798 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.592 -6.456 -18.907 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.241 -5.354 -20.126 1.00 0.00 H new ATOM 942 N LEU A 61 4.386 -5.910 -17.981 1.00 0.00 N ATOM 943 CA LEU A 61 5.630 -5.164 -17.816 1.00 0.00 C ATOM 944 C LEU A 61 6.044 -4.474 -19.113 1.00 0.00 C ATOM 945 O LEU A 61 6.771 -3.480 -19.094 1.00 0.00 O ATOM 946 CB LEU A 61 6.750 -6.104 -17.371 1.00 0.00 C ATOM 947 CG LEU A 61 6.383 -7.068 -16.238 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.556 -8.012 -15.971 1.00 0.00 C ATOM 949 CD2 LEU A 61 6.074 -6.267 -14.972 1.00 0.00 C ATOM 0 H LEU A 61 4.498 -6.924 -18.002 1.00 0.00 H new ATOM 0 HA LEU A 61 5.458 -4.402 -17.056 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.076 -6.688 -18.232 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.602 -5.503 -17.053 1.00 0.00 H new ATOM 0 HG LEU A 61 5.507 -7.651 -16.524 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.295 -8.698 -15.165 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.778 -8.581 -16.874 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.432 -7.431 -15.684 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.812 -6.950 -14.164 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.951 -5.686 -14.686 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.238 -5.594 -15.162 1.00 0.00 H new ATOM 961 N ASP A 62 5.583 -5.006 -20.242 1.00 0.00 N ATOM 962 CA ASP A 62 5.925 -4.420 -21.537 1.00 0.00 C ATOM 963 C ASP A 62 5.440 -2.973 -21.625 1.00 0.00 C ATOM 964 O ASP A 62 6.016 -2.155 -22.342 1.00 0.00 O ATOM 965 CB ASP A 62 5.295 -5.228 -22.673 1.00 0.00 C ATOM 966 CG ASP A 62 5.953 -6.600 -22.748 1.00 0.00 C ATOM 967 OD1 ASP A 62 7.151 -6.674 -22.531 1.00 0.00 O ATOM 968 OD2 ASP A 62 5.250 -7.558 -23.021 1.00 0.00 O ATOM 0 H ASP A 62 4.981 -5.828 -20.289 1.00 0.00 H new ATOM 0 HA ASP A 62 7.011 -4.440 -21.634 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.223 -5.336 -22.506 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.418 -4.702 -23.620 1.00 0.00 H new ATOM 973 N HIS A 63 4.372 -2.665 -20.891 1.00 0.00 N ATOM 974 CA HIS A 63 3.820 -1.312 -20.900 1.00 0.00 C ATOM 975 C HIS A 63 4.390 -0.489 -19.746 1.00 0.00 C ATOM 976 O HIS A 63 4.573 0.722 -19.862 1.00 0.00 O ATOM 977 CB HIS A 63 2.295 -1.354 -20.776 1.00 0.00 C ATOM 978 CG HIS A 63 1.712 -2.029 -21.987 1.00 0.00 C ATOM 979 ND1 HIS A 63 1.965 -3.245 -22.572 1.00 0.00 N flip ATOM 980 CD2 HIS A 63 0.726 -1.435 -22.761 1.00 0.00 C flip ATOM 981 CE1 HIS A 63 1.151 -3.406 -23.689 1.00 0.00 C flip ATOM 982 NE2 HIS A 63 0.425 -2.288 -23.757 1.00 0.00 N flip ATOM 0 H HIS A 63 3.877 -3.324 -20.290 1.00 0.00 H new ATOM 0 HA HIS A 63 4.096 -0.846 -21.846 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.008 -1.892 -19.873 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.899 -0.343 -20.684 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.281 -0.465 -22.595 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.114 -4.254 -24.357 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.273 -2.103 -24.477 1.00 0.00 H new ATOM 990 N ILE A 64 4.668 -1.162 -18.632 1.00 0.00 N ATOM 991 CA ILE A 64 5.217 -0.481 -17.461 1.00 0.00 C ATOM 992 C ILE A 64 6.632 0.014 -17.748 1.00 0.00 C ATOM 993 O ILE A 64 6.953 1.182 -17.534 1.00 0.00 O ATOM 994 CB ILE A 64 5.251 -1.425 -16.253 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.849 -1.991 -16.009 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.711 -0.662 -15.005 1.00 0.00 C ATOM 997 CD1 ILE A 64 3.956 -3.319 -15.252 1.00 0.00 C ATOM 0 H ILE A 64 4.525 -2.165 -18.515 1.00 0.00 H new ATOM 0 HA ILE A 64 4.573 0.369 -17.235 1.00 0.00 H new ATOM 0 HB ILE A 64 5.948 -2.238 -16.456 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.254 -1.281 -15.435 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.336 -2.142 -16.959 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.732 -1.340 -14.152 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.709 -0.258 -15.173 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.019 0.155 -14.802 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.958 -3.721 -15.079 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.535 -4.029 -15.842 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.451 -3.154 -14.295 1.00 0.00 H new ATOM 1009 N LYS A 65 7.479 -0.895 -18.232 1.00 0.00 N ATOM 1010 CA LYS A 65 8.870 -0.552 -18.540 1.00 0.00 C ATOM 1011 C LYS A 65 8.953 0.681 -19.448 1.00 0.00 C ATOM 1012 O LYS A 65 9.756 1.585 -19.218 1.00 0.00 O ATOM 1013 CB LYS A 65 9.581 -1.739 -19.213 1.00 0.00 C ATOM 1014 CG LYS A 65 8.928 -2.065 -20.562 1.00 0.00 C ATOM 1015 CD LYS A 65 9.304 -3.488 -20.992 1.00 0.00 C ATOM 1016 CE LYS A 65 10.821 -3.597 -21.163 1.00 0.00 C ATOM 1017 NZ LYS A 65 11.179 -4.524 -22.274 1.00 0.00 N ATOM 0 H LYS A 65 7.231 -1.867 -18.418 1.00 0.00 H new ATOM 0 HA LYS A 65 9.368 -0.320 -17.598 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.635 -1.502 -19.361 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.538 -2.612 -18.562 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.845 -1.974 -20.483 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.254 -1.349 -21.317 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.961 -4.205 -20.246 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.805 -3.738 -21.928 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.238 -2.610 -21.363 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.269 -3.950 -20.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.214 -4.575 -22.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.802 -5.472 -22.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.772 -4.173 -23.164 1.00 0.00 H new ATOM 1031 N THR A 66 8.108 0.706 -20.477 1.00 0.00 N ATOM 1032 CA THR A 66 8.088 1.827 -21.414 1.00 0.00 C ATOM 1033 C THR A 66 7.783 3.137 -20.688 1.00 0.00 C ATOM 1034 O THR A 66 8.455 4.148 -20.895 1.00 0.00 O ATOM 1035 CB THR A 66 7.028 1.602 -22.494 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.152 0.284 -23.008 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.224 2.613 -23.624 1.00 0.00 C ATOM 0 H THR A 66 7.433 -0.031 -20.682 1.00 0.00 H new ATOM 0 HA THR A 66 9.074 1.891 -21.874 1.00 0.00 H new ATOM 0 HB THR A 66 6.036 1.733 -22.062 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.566 -0.320 -22.505 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.468 2.451 -24.392 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.128 3.624 -23.228 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.216 2.486 -24.058 1.00 0.00 H new ATOM 1045 N LYS A 67 6.758 3.106 -19.842 1.00 0.00 N ATOM 1046 CA LYS A 67 6.358 4.296 -19.093 1.00 0.00 C ATOM 1047 C LYS A 67 7.466 4.737 -18.141 1.00 0.00 C ATOM 1048 O LYS A 67 7.829 5.912 -18.094 1.00 0.00 O ATOM 1049 CB LYS A 67 5.091 4.016 -18.284 1.00 0.00 C ATOM 1050 CG LYS A 67 3.884 3.960 -19.224 1.00 0.00 C ATOM 1051 CD LYS A 67 3.209 5.332 -19.273 1.00 0.00 C ATOM 1052 CE LYS A 67 1.706 5.156 -19.498 1.00 0.00 C ATOM 1053 NZ LYS A 67 0.966 6.426 -19.256 1.00 0.00 N ATOM 0 H LYS A 67 6.192 2.278 -19.658 1.00 0.00 H new ATOM 0 HA LYS A 67 6.166 5.092 -19.813 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.191 3.072 -17.747 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.946 4.795 -17.535 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.202 3.664 -20.224 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.176 3.207 -18.879 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.387 5.870 -18.342 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.639 5.932 -20.075 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.527 4.818 -20.519 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.326 4.380 -18.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.050 6.272 -19.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.118 6.735 -18.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.313 7.159 -19.907 1.00 0.00 H new ATOM 1067 N PHE A 68 7.997 3.784 -17.382 1.00 0.00 N ATOM 1068 CA PHE A 68 9.063 4.090 -16.433 1.00 0.00 C ATOM 1069 C PHE A 68 10.335 4.520 -17.162 1.00 0.00 C ATOM 1070 O PHE A 68 11.178 5.219 -16.600 1.00 0.00 O ATOM 1071 CB PHE A 68 9.371 2.872 -15.561 1.00 0.00 C ATOM 1072 CG PHE A 68 8.488 2.890 -14.336 1.00 0.00 C ATOM 1073 CD1 PHE A 68 8.508 3.994 -13.476 1.00 0.00 C ATOM 1074 CD2 PHE A 68 7.649 1.803 -14.063 1.00 0.00 C ATOM 1075 CE1 PHE A 68 7.688 4.009 -12.340 1.00 0.00 C ATOM 1076 CE2 PHE A 68 6.830 1.819 -12.928 1.00 0.00 C ATOM 1077 CZ PHE A 68 6.850 2.923 -12.067 1.00 0.00 C ATOM 0 H PHE A 68 7.712 2.805 -17.404 1.00 0.00 H new ATOM 0 HA PHE A 68 8.719 4.910 -15.803 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.206 1.955 -16.127 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.420 2.879 -15.266 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.154 4.833 -13.688 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.634 0.952 -14.728 1.00 0.00 H new ATOM 0 HE1 PHE A 68 7.703 4.860 -11.675 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.183 0.980 -12.717 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.218 2.936 -11.191 1.00 0.00 H new ATOM 1087 N LYS A 69 10.470 4.100 -18.421 1.00 0.00 N ATOM 1088 CA LYS A 69 11.647 4.458 -19.205 1.00 0.00 C ATOM 1089 C LYS A 69 11.594 5.932 -19.595 1.00 0.00 C ATOM 1090 O LYS A 69 12.411 6.734 -19.147 1.00 0.00 O ATOM 1091 CB LYS A 69 11.734 3.604 -20.473 1.00 0.00 C ATOM 1092 CG LYS A 69 12.564 2.347 -20.191 1.00 0.00 C ATOM 1093 CD LYS A 69 13.487 2.060 -21.380 1.00 0.00 C ATOM 1094 CE LYS A 69 13.709 0.552 -21.503 1.00 0.00 C ATOM 1095 NZ LYS A 69 15.054 0.246 -22.069 1.00 0.00 N ATOM 0 H LYS A 69 9.789 3.520 -18.911 1.00 0.00 H new ATOM 0 HA LYS A 69 12.529 4.275 -18.591 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.734 3.325 -20.805 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.189 4.179 -21.280 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.154 2.485 -19.285 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.905 1.496 -20.016 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.046 2.449 -22.298 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.441 2.569 -21.244 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.611 0.087 -20.522 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.937 0.120 -22.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.944 -0.259 -22.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.573 1.133 -22.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.584 -0.349 -21.401 1.00 0.00 H new ATOM 1109 N GLU A 70 10.615 6.285 -20.432 1.00 0.00 N ATOM 1110 CA GLU A 70 10.457 7.677 -20.875 1.00 0.00 C ATOM 1111 C GLU A 70 10.453 8.638 -19.682 1.00 0.00 C ATOM 1112 O GLU A 70 10.833 9.802 -19.804 1.00 0.00 O ATOM 1113 CB GLU A 70 9.152 7.847 -21.658 1.00 0.00 C ATOM 1114 CG GLU A 70 7.982 7.292 -20.842 1.00 0.00 C ATOM 1115 CD GLU A 70 6.737 8.137 -21.095 1.00 0.00 C ATOM 1116 OE1 GLU A 70 6.345 8.247 -22.245 1.00 0.00 O ATOM 1117 OE2 GLU A 70 6.194 8.660 -20.136 1.00 0.00 O ATOM 0 H GLU A 70 9.926 5.637 -20.814 1.00 0.00 H new ATOM 0 HA GLU A 70 11.304 7.914 -21.520 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.985 8.901 -21.880 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.220 7.327 -22.614 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.792 6.255 -21.118 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.230 7.299 -19.781 1.00 0.00 H new ATOM 1210 N LYS A 77 17.911 1.063 -16.841 1.00 0.00 N ATOM 1211 CA LYS A 77 17.747 -0.328 -16.425 1.00 0.00 C ATOM 1212 C LYS A 77 16.323 -0.592 -15.938 1.00 0.00 C ATOM 1213 O LYS A 77 16.089 -1.488 -15.127 1.00 0.00 O ATOM 1214 CB LYS A 77 18.726 -0.667 -15.300 1.00 0.00 C ATOM 1215 CG LYS A 77 20.107 -0.952 -15.892 1.00 0.00 C ATOM 1216 CD LYS A 77 21.111 -1.177 -14.760 1.00 0.00 C ATOM 1217 CE LYS A 77 20.998 -2.617 -14.253 1.00 0.00 C ATOM 1218 NZ LYS A 77 21.990 -3.507 -14.919 1.00 0.00 N ATOM 0 HA LYS A 77 17.949 -0.956 -17.292 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.786 0.161 -14.594 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.371 -1.535 -14.744 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.064 -1.831 -16.535 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.427 -0.117 -16.515 1.00 0.00 H new ATOM 0 HD2 LYS A 77 22.124 -0.984 -15.114 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.919 -0.478 -13.946 1.00 0.00 H new ATOM 0 HE2 LYS A 77 21.154 -2.638 -13.174 1.00 0.00 H new ATOM 0 HE3 LYS A 77 19.991 -2.991 -14.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 21.888 -4.475 -14.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 21.824 -3.505 -15.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.952 -3.163 -14.723 1.00 0.00 H new ATOM 1232 N VAL A 78 15.374 0.190 -16.444 1.00 0.00 N ATOM 1233 CA VAL A 78 13.978 0.022 -16.051 1.00 0.00 C ATOM 1234 C VAL A 78 13.471 -1.363 -16.459 1.00 0.00 C ATOM 1235 O VAL A 78 12.885 -2.084 -15.653 1.00 0.00 O ATOM 1236 CB VAL A 78 13.107 1.106 -16.708 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.644 0.950 -16.275 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.606 2.486 -16.274 1.00 0.00 C ATOM 0 H VAL A 78 15.542 0.937 -17.118 1.00 0.00 H new ATOM 0 HA VAL A 78 13.912 0.118 -14.967 1.00 0.00 H new ATOM 0 HB VAL A 78 13.174 1.002 -17.791 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.040 1.724 -16.748 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.278 -0.031 -16.577 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.573 1.046 -15.192 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.991 3.258 -16.738 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.540 2.572 -15.189 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.643 2.612 -16.585 1.00 0.00 H new ATOM 1248 N ASP A 79 13.694 -1.721 -17.724 1.00 0.00 N ATOM 1249 CA ASP A 79 13.242 -3.020 -18.245 1.00 0.00 C ATOM 1250 C ASP A 79 13.629 -4.178 -17.319 1.00 0.00 C ATOM 1251 O ASP A 79 12.788 -5.000 -16.954 1.00 0.00 O ATOM 1252 CB ASP A 79 13.821 -3.280 -19.642 1.00 0.00 C ATOM 1253 CG ASP A 79 15.319 -2.985 -19.655 1.00 0.00 C ATOM 1254 OD1 ASP A 79 15.673 -1.821 -19.742 1.00 0.00 O ATOM 1255 OD2 ASP A 79 16.089 -3.929 -19.577 1.00 0.00 O ATOM 0 H ASP A 79 14.180 -1.138 -18.405 1.00 0.00 H new ATOM 0 HA ASP A 79 12.155 -2.971 -18.301 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.645 -4.316 -19.930 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.313 -2.655 -20.376 1.00 0.00 H new ATOM 1260 N ASP A 80 14.903 -4.237 -16.943 1.00 0.00 N ATOM 1261 CA ASP A 80 15.375 -5.305 -16.064 1.00 0.00 C ATOM 1262 C ASP A 80 14.776 -5.158 -14.667 1.00 0.00 C ATOM 1263 O ASP A 80 14.387 -6.140 -14.036 1.00 0.00 O ATOM 1264 CB ASP A 80 16.902 -5.276 -15.956 1.00 0.00 C ATOM 1265 CG ASP A 80 17.357 -3.890 -15.512 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.367 -3.646 -14.317 1.00 0.00 O ATOM 1267 OD2 ASP A 80 17.690 -3.093 -16.374 1.00 0.00 O ATOM 0 H ASP A 80 15.619 -3.569 -17.228 1.00 0.00 H new ATOM 0 HA ASP A 80 15.058 -6.255 -16.495 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.241 -6.027 -15.242 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.350 -5.526 -16.918 1.00 0.00 H new ATOM 1272 N LEU A 81 14.719 -3.919 -14.191 1.00 0.00 N ATOM 1273 CA LEU A 81 14.180 -3.641 -12.861 1.00 0.00 C ATOM 1274 C LEU A 81 12.692 -3.978 -12.782 1.00 0.00 C ATOM 1275 O LEU A 81 12.207 -4.449 -11.756 1.00 0.00 O ATOM 1276 CB LEU A 81 14.377 -2.165 -12.509 1.00 0.00 C ATOM 1277 CG LEU A 81 14.648 -1.872 -11.032 1.00 0.00 C ATOM 1278 CD1 LEU A 81 16.151 -1.952 -10.762 1.00 0.00 C ATOM 1279 CD2 LEU A 81 14.145 -0.468 -10.692 1.00 0.00 C ATOM 0 H LEU A 81 15.037 -3.095 -14.701 1.00 0.00 H new ATOM 0 HA LEU A 81 14.719 -4.268 -12.150 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.209 -1.777 -13.097 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.487 -1.615 -12.814 1.00 0.00 H new ATOM 0 HG LEU A 81 14.129 -2.606 -10.415 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.343 -1.743 -9.710 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.512 -2.951 -11.005 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.671 -1.219 -11.378 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.337 -0.257 -9.640 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.665 0.264 -11.310 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.074 -0.409 -10.884 1.00 0.00 H new ATOM 1291 N VAL A 82 11.971 -3.724 -13.872 1.00 0.00 N ATOM 1292 CA VAL A 82 10.532 -3.994 -13.909 1.00 0.00 C ATOM 1293 C VAL A 82 10.250 -5.476 -13.652 1.00 0.00 C ATOM 1294 O VAL A 82 9.415 -5.825 -12.818 1.00 0.00 O ATOM 1295 CB VAL A 82 9.952 -3.579 -15.273 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.453 -3.900 -15.344 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.152 -2.071 -15.476 1.00 0.00 C ATOM 0 H VAL A 82 12.353 -3.335 -14.734 1.00 0.00 H new ATOM 0 HA VAL A 82 10.054 -3.410 -13.123 1.00 0.00 H new ATOM 0 HB VAL A 82 10.470 -4.135 -16.054 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.062 -3.599 -16.316 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.303 -4.971 -15.209 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.927 -3.358 -14.558 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.742 -1.776 -16.442 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.640 -1.526 -14.683 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.216 -1.838 -15.448 1.00 0.00 H new ATOM 1307 N ALA A 83 10.948 -6.342 -14.380 1.00 0.00 N ATOM 1308 CA ALA A 83 10.753 -7.784 -14.223 1.00 0.00 C ATOM 1309 C ALA A 83 11.017 -8.217 -12.780 1.00 0.00 C ATOM 1310 O ALA A 83 10.212 -8.923 -12.172 1.00 0.00 O ATOM 1311 CB ALA A 83 11.695 -8.553 -15.150 1.00 0.00 C ATOM 0 H ALA A 83 11.645 -6.078 -15.076 1.00 0.00 H new ATOM 0 HA ALA A 83 9.718 -8.008 -14.481 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.538 -9.624 -15.021 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.492 -8.278 -16.185 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.728 -8.306 -14.905 1.00 0.00 H new ATOM 1317 N LYS A 84 12.157 -7.791 -12.248 1.00 0.00 N ATOM 1318 CA LYS A 84 12.534 -8.144 -10.880 1.00 0.00 C ATOM 1319 C LYS A 84 11.700 -7.382 -9.845 1.00 0.00 C ATOM 1320 O LYS A 84 11.612 -7.791 -8.688 1.00 0.00 O ATOM 1321 CB LYS A 84 14.014 -7.834 -10.645 1.00 0.00 C ATOM 1322 CG LYS A 84 14.490 -8.532 -9.368 1.00 0.00 C ATOM 1323 CD LYS A 84 14.459 -7.545 -8.199 1.00 0.00 C ATOM 1324 CE LYS A 84 14.310 -8.314 -6.886 1.00 0.00 C ATOM 1325 NZ LYS A 84 15.630 -8.787 -6.379 1.00 0.00 N ATOM 0 H LYS A 84 12.833 -7.205 -12.737 1.00 0.00 H new ATOM 0 HA LYS A 84 12.347 -9.211 -10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.606 -8.170 -11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.161 -6.757 -10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.852 -9.388 -9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.501 -8.915 -9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.374 -6.953 -8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.630 -6.847 -8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.840 -7.674 -6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.649 -9.168 -7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.494 -9.305 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.066 -9.417 -7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.251 -7.970 -6.213 1.00 0.00 H new ATOM 1339 N CYS A 85 11.101 -6.264 -10.258 1.00 0.00 N ATOM 1340 CA CYS A 85 10.301 -5.463 -9.329 1.00 0.00 C ATOM 1341 C CYS A 85 8.845 -5.916 -9.310 1.00 0.00 C ATOM 1342 O CYS A 85 8.216 -5.971 -8.253 1.00 0.00 O ATOM 1343 CB CYS A 85 10.348 -3.983 -9.712 1.00 0.00 C ATOM 1344 SG CYS A 85 11.892 -3.257 -9.110 1.00 0.00 S ATOM 0 H CYS A 85 11.152 -5.898 -11.209 1.00 0.00 H new ATOM 0 HA CYS A 85 10.731 -5.604 -8.337 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.279 -3.873 -10.794 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.495 -3.458 -9.284 1.00 0.00 H new ATOM 1349 N ALA A 86 8.304 -6.224 -10.485 1.00 0.00 N ATOM 1350 CA ALA A 86 6.909 -6.652 -10.574 1.00 0.00 C ATOM 1351 C ALA A 86 6.754 -8.129 -10.195 1.00 0.00 C ATOM 1352 O ALA A 86 6.269 -8.944 -10.983 1.00 0.00 O ATOM 1353 CB ALA A 86 6.373 -6.432 -11.992 1.00 0.00 C ATOM 0 H ALA A 86 8.799 -6.187 -11.376 1.00 0.00 H new ATOM 0 HA ALA A 86 6.335 -6.050 -9.869 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.333 -6.755 -12.042 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.436 -5.374 -12.245 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.967 -7.010 -12.699 1.00 0.00 H new ATOM 1359 N VAL A 87 7.161 -8.463 -8.973 1.00 0.00 N ATOM 1360 CA VAL A 87 7.054 -9.840 -8.497 1.00 0.00 C ATOM 1361 C VAL A 87 5.591 -10.277 -8.446 1.00 0.00 C ATOM 1362 O VAL A 87 4.794 -9.730 -7.685 1.00 0.00 O ATOM 1363 CB VAL A 87 7.665 -9.970 -7.098 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.160 -9.652 -7.162 1.00 0.00 C ATOM 1365 CG2 VAL A 87 6.977 -8.990 -6.140 1.00 0.00 C ATOM 0 H VAL A 87 7.563 -7.809 -8.302 1.00 0.00 H new ATOM 0 HA VAL A 87 7.598 -10.480 -9.192 1.00 0.00 H new ATOM 0 HB VAL A 87 7.523 -10.989 -6.737 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.595 -9.744 -6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.652 -10.350 -7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.300 -8.634 -7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.414 -9.085 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.115 -7.971 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.912 -9.216 -6.091 1.00 0.00 H new ATOM 1375 N LYS A 88 5.247 -11.275 -9.257 1.00 0.00 N ATOM 1376 CA LYS A 88 3.875 -11.776 -9.279 1.00 0.00 C ATOM 1377 C LYS A 88 3.531 -12.401 -7.929 1.00 0.00 C ATOM 1378 O LYS A 88 4.085 -13.431 -7.547 1.00 0.00 O ATOM 1379 CB LYS A 88 3.696 -12.826 -10.380 1.00 0.00 C ATOM 1380 CG LYS A 88 4.782 -13.905 -10.260 1.00 0.00 C ATOM 1381 CD LYS A 88 4.152 -15.231 -9.820 1.00 0.00 C ATOM 1382 CE LYS A 88 3.330 -15.812 -10.971 1.00 0.00 C ATOM 1383 NZ LYS A 88 2.254 -16.712 -10.469 1.00 0.00 N ATOM 0 H LYS A 88 5.887 -11.746 -9.897 1.00 0.00 H new ATOM 0 HA LYS A 88 3.209 -10.937 -9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.709 -13.282 -10.302 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.751 -12.351 -11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.288 -14.032 -11.217 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.538 -13.594 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.930 -15.935 -9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.516 -15.072 -8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.888 -15.001 -11.550 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.984 -16.365 -11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.714 -17.090 -11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.679 -17.498 -9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.617 -16.177 -9.845 1.00 0.00 H new ATOM 1397 N LYS A 89 2.619 -11.757 -7.205 1.00 0.00 N ATOM 1398 CA LYS A 89 2.218 -12.250 -5.889 1.00 0.00 C ATOM 1399 C LYS A 89 0.919 -13.047 -5.977 1.00 0.00 C ATOM 1400 O LYS A 89 0.379 -13.267 -7.061 1.00 0.00 O ATOM 1401 CB LYS A 89 2.027 -11.082 -4.919 1.00 0.00 C ATOM 1402 CG LYS A 89 3.349 -10.791 -4.206 1.00 0.00 C ATOM 1403 CD LYS A 89 3.432 -9.303 -3.864 1.00 0.00 C ATOM 1404 CE LYS A 89 4.821 -8.985 -3.309 1.00 0.00 C ATOM 1405 NZ LYS A 89 4.853 -9.102 -1.823 1.00 0.00 N ATOM 0 H LYS A 89 2.148 -10.902 -7.502 1.00 0.00 H new ATOM 0 HA LYS A 89 3.010 -12.903 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.691 -10.197 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.254 -11.323 -4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.422 -11.388 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.187 -11.075 -4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.238 -8.703 -4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.668 -9.044 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.553 -9.665 -3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.109 -7.976 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.809 -8.880 -1.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.171 -8.435 -1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.601 -10.072 -1.546 1.00 0.00 H new ATOM 1419 N ASP A 90 0.434 -13.485 -4.818 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.798 -14.268 -4.756 1.00 0.00 C ATOM 1421 C ASP A 90 -2.015 -13.442 -5.182 1.00 0.00 C ATOM 1422 O ASP A 90 -3.083 -13.994 -5.446 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.026 -14.788 -3.336 1.00 0.00 C ATOM 1424 CG ASP A 90 -1.019 -13.618 -2.357 1.00 0.00 C ATOM 1425 OD1 ASP A 90 0.014 -12.981 -2.232 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -2.048 -13.377 -1.747 1.00 0.00 O ATOM 0 H ASP A 90 0.872 -13.312 -3.913 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.684 -15.103 -5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.977 -15.317 -3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.247 -15.503 -3.070 1.00 0.00 H new ATOM 1431 N THR A 91 -1.858 -12.117 -5.242 1.00 0.00 N ATOM 1432 CA THR A 91 -2.971 -11.258 -5.636 1.00 0.00 C ATOM 1433 C THR A 91 -2.469 -10.079 -6.470 1.00 0.00 C ATOM 1434 O THR A 91 -1.339 -9.621 -6.291 1.00 0.00 O ATOM 1435 CB THR A 91 -3.696 -10.722 -4.399 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.773 -10.603 -3.326 1.00 0.00 O ATOM 1437 CG2 THR A 91 -4.817 -11.684 -4.006 1.00 0.00 C ATOM 0 H THR A 91 -0.990 -11.626 -5.027 1.00 0.00 H new ATOM 0 HA THR A 91 -3.662 -11.855 -6.232 1.00 0.00 H new ATOM 0 HB THR A 91 -4.122 -9.744 -4.622 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.638 -11.481 -2.912 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.333 -11.301 -3.125 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.525 -11.774 -4.830 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.394 -12.663 -3.782 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.299 -9.573 -7.391 1.00 0.00 N ATOM 1446 CA PRO A 92 -2.921 -8.443 -8.251 1.00 0.00 C ATOM 1447 C PRO A 92 -2.838 -7.129 -7.482 1.00 0.00 C ATOM 1448 O PRO A 92 -1.887 -6.364 -7.637 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.031 -8.386 -9.296 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.209 -9.023 -8.645 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.668 -10.041 -7.683 1.00 0.00 C ATOM 0 HA PRO A 92 -1.930 -8.582 -8.682 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.248 -7.358 -9.585 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.746 -8.918 -10.203 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.813 -8.280 -8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.854 -9.495 -9.387 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.272 -10.094 -6.777 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.663 -11.039 -8.121 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.842 -6.875 -6.642 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.860 -5.646 -5.850 1.00 0.00 C ATOM 1461 C GLN A 93 -2.597 -5.537 -4.989 1.00 0.00 C ATOM 1462 O GLN A 93 -2.179 -4.441 -4.616 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.104 -5.587 -4.955 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.111 -6.772 -3.985 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.534 -7.296 -3.821 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -6.829 -8.435 -4.185 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -7.444 -6.526 -3.290 1.00 0.00 N ATOM 0 H GLN A 93 -4.640 -7.492 -6.494 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.889 -4.806 -6.544 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.116 -4.651 -4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.004 -5.604 -5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.463 -7.564 -4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.713 -6.465 -3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.201 -5.583 -2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.398 -6.868 -3.177 1.00 0.00 H new ATOM 1476 N HIS A 94 -1.984 -6.685 -4.696 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.761 -6.697 -3.903 1.00 0.00 C ATOM 1478 C HIS A 94 0.396 -6.218 -4.770 1.00 0.00 C ATOM 1479 O HIS A 94 1.010 -5.186 -4.501 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.461 -8.110 -3.396 1.00 0.00 C ATOM 1481 CG HIS A 94 0.253 -8.029 -2.075 1.00 0.00 C ATOM 1482 ND1 HIS A 94 -0.149 -8.765 -0.972 1.00 0.00 N ATOM 1483 CD2 HIS A 94 1.343 -7.304 -1.663 1.00 0.00 C ATOM 1484 CE1 HIS A 94 0.687 -8.469 0.041 1.00 0.00 C ATOM 1485 NE2 HIS A 94 1.616 -7.583 -0.328 1.00 0.00 N ATOM 0 H HIS A 94 -2.311 -7.605 -4.992 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.889 -6.038 -3.044 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.388 -8.673 -3.286 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.153 -8.645 -4.121 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.904 -6.620 -2.282 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.615 -8.896 1.031 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.365 -7.195 0.246 1.00 0.00 H new ATOM 1493 N SER A 95 0.669 -6.977 -5.833 1.00 0.00 N ATOM 1494 CA SER A 95 1.739 -6.629 -6.774 1.00 0.00 C ATOM 1495 C SER A 95 1.619 -5.171 -7.233 1.00 0.00 C ATOM 1496 O SER A 95 2.608 -4.539 -7.605 1.00 0.00 O ATOM 1497 CB SER A 95 1.683 -7.542 -7.999 1.00 0.00 C ATOM 1498 OG SER A 95 0.466 -7.315 -8.699 1.00 0.00 O ATOM 0 H SER A 95 0.167 -7.834 -6.065 1.00 0.00 H new ATOM 0 HA SER A 95 2.690 -6.760 -6.257 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.533 -7.346 -8.652 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.750 -8.586 -7.692 1.00 0.00 H new ATOM 0 HG SER A 95 -0.211 -6.976 -8.077 1.00 0.00 H new ATOM 1504 N SER A 96 0.389 -4.648 -7.207 1.00 0.00 N ATOM 1505 CA SER A 96 0.137 -3.267 -7.623 1.00 0.00 C ATOM 1506 C SER A 96 1.024 -2.291 -6.852 1.00 0.00 C ATOM 1507 O SER A 96 1.780 -1.518 -7.440 1.00 0.00 O ATOM 1508 CB SER A 96 -1.328 -2.900 -7.383 1.00 0.00 C ATOM 1509 OG SER A 96 -1.499 -1.500 -7.566 1.00 0.00 O ATOM 0 H SER A 96 -0.442 -5.157 -6.904 1.00 0.00 H new ATOM 0 HA SER A 96 0.368 -3.195 -8.686 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.970 -3.449 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.626 -3.185 -6.374 1.00 0.00 H new ATOM 0 HG SER A 96 -0.724 -1.135 -8.041 1.00 0.00 H new ATOM 1515 N ALA A 97 0.922 -2.336 -5.526 1.00 0.00 N ATOM 1516 CA ALA A 97 1.718 -1.451 -4.678 1.00 0.00 C ATOM 1517 C ALA A 97 3.211 -1.669 -4.918 1.00 0.00 C ATOM 1518 O ALA A 97 4.010 -0.737 -4.840 1.00 0.00 O ATOM 1519 CB ALA A 97 1.412 -1.707 -3.201 1.00 0.00 C ATOM 0 H ALA A 97 0.303 -2.969 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 97 1.457 -0.424 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.013 -1.040 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.355 -1.522 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.650 -2.742 -2.954 1.00 0.00 H new ATOM 1525 N ASP A 98 3.575 -2.916 -5.206 1.00 0.00 N ATOM 1526 CA ASP A 98 4.974 -3.256 -5.451 1.00 0.00 C ATOM 1527 C ASP A 98 5.526 -2.478 -6.643 1.00 0.00 C ATOM 1528 O ASP A 98 6.660 -1.999 -6.614 1.00 0.00 O ATOM 1529 CB ASP A 98 5.123 -4.756 -5.720 1.00 0.00 C ATOM 1530 CG ASP A 98 5.362 -5.486 -4.403 1.00 0.00 C ATOM 1531 OD1 ASP A 98 4.543 -5.341 -3.510 1.00 0.00 O ATOM 1532 OD2 ASP A 98 6.361 -6.181 -4.306 1.00 0.00 O ATOM 0 H ASP A 98 2.928 -3.701 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 98 5.539 -2.987 -4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.225 -5.141 -6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.954 -4.933 -6.403 1.00 0.00 H new ATOM 1537 N PHE A 99 4.719 -2.360 -7.697 1.00 0.00 N ATOM 1538 CA PHE A 99 5.156 -1.638 -8.893 1.00 0.00 C ATOM 1539 C PHE A 99 5.445 -0.176 -8.561 1.00 0.00 C ATOM 1540 O PHE A 99 6.388 0.420 -9.084 1.00 0.00 O ATOM 1541 CB PHE A 99 4.090 -1.680 -9.998 1.00 0.00 C ATOM 1542 CG PHE A 99 3.510 -3.074 -10.157 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.332 -4.210 -10.088 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.137 -3.222 -10.387 1.00 0.00 C ATOM 1545 CE1 PHE A 99 3.776 -5.486 -10.248 1.00 0.00 C ATOM 1546 CE2 PHE A 99 1.584 -4.497 -10.545 1.00 0.00 C ATOM 1547 CZ PHE A 99 2.404 -5.629 -10.477 1.00 0.00 C ATOM 0 H PHE A 99 3.777 -2.747 -7.749 1.00 0.00 H new ATOM 0 HA PHE A 99 6.061 -2.130 -9.248 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.291 -0.977 -9.762 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.530 -1.358 -10.942 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.392 -4.100 -9.912 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.503 -2.349 -10.443 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.408 -6.360 -10.194 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.524 -4.608 -10.720 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.977 -6.613 -10.601 1.00 0.00 H new ATOM 1557 N PHE A 100 4.616 0.398 -7.694 1.00 0.00 N ATOM 1558 CA PHE A 100 4.782 1.798 -7.305 1.00 0.00 C ATOM 1559 C PHE A 100 5.589 1.913 -6.011 1.00 0.00 C ATOM 1560 O PHE A 100 5.235 2.663 -5.101 1.00 0.00 O ATOM 1561 CB PHE A 100 3.414 2.457 -7.109 1.00 0.00 C ATOM 1562 CG PHE A 100 3.589 3.946 -6.936 1.00 0.00 C ATOM 1563 CD1 PHE A 100 4.252 4.693 -7.918 1.00 0.00 C ATOM 1564 CD2 PHE A 100 3.089 4.582 -5.792 1.00 0.00 C ATOM 1565 CE1 PHE A 100 4.414 6.073 -7.757 1.00 0.00 C ATOM 1566 CE2 PHE A 100 3.251 5.962 -5.632 1.00 0.00 C ATOM 1567 CZ PHE A 100 3.914 6.709 -6.615 1.00 0.00 C ATOM 0 H PHE A 100 3.830 -0.077 -7.250 1.00 0.00 H new ATOM 0 HA PHE A 100 5.322 2.307 -8.103 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.775 2.253 -7.968 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.918 2.035 -6.235 1.00 0.00 H new ATOM 0 HD1 PHE A 100 4.638 4.203 -8.800 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.579 4.007 -5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 100 4.925 6.648 -8.515 1.00 0.00 H new ATOM 0 HE2 PHE A 100 2.865 6.452 -4.750 1.00 0.00 H new ATOM 0 HZ PHE A 100 4.039 7.775 -6.491 1.00 0.00 H new ATOM 1577 N LYS A 101 6.685 1.161 -5.942 1.00 0.00 N ATOM 1578 CA LYS A 101 7.542 1.187 -4.758 1.00 0.00 C ATOM 1579 C LYS A 101 8.949 0.719 -5.116 1.00 0.00 C ATOM 1580 O LYS A 101 9.932 1.427 -4.898 1.00 0.00 O ATOM 1581 CB LYS A 101 6.968 0.277 -3.660 1.00 0.00 C ATOM 1582 CG LYS A 101 6.251 1.125 -2.605 1.00 0.00 C ATOM 1583 CD LYS A 101 5.070 0.337 -2.030 1.00 0.00 C ATOM 1584 CE LYS A 101 3.912 1.291 -1.735 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.005 1.427 -2.910 1.00 0.00 N ATOM 0 H LYS A 101 6.999 0.533 -6.682 1.00 0.00 H new ATOM 0 HA LYS A 101 7.584 2.212 -4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.273 -0.441 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.769 -0.297 -3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.944 1.395 -1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.899 2.056 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.752 -0.429 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.372 -0.177 -1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.347 0.925 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.306 2.270 -1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.042 2.403 -3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.308 0.773 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.031 1.199 -2.625 1.00 0.00 H new ATOM 1599 N CYS A 102 9.032 -0.492 -5.671 1.00 0.00 N ATOM 1600 CA CYS A 102 10.319 -1.074 -6.064 1.00 0.00 C ATOM 1601 C CYS A 102 11.142 -0.100 -6.911 1.00 0.00 C ATOM 1602 O CYS A 102 12.307 0.167 -6.616 1.00 0.00 O ATOM 1603 CB CYS A 102 10.089 -2.358 -6.866 1.00 0.00 C ATOM 1604 SG CYS A 102 11.664 -3.217 -7.105 1.00 0.00 S ATOM 0 H CYS A 102 8.226 -1.088 -5.858 1.00 0.00 H new ATOM 0 HA CYS A 102 10.872 -1.294 -5.151 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.386 -3.005 -6.341 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.643 -2.120 -7.832 1.00 0.00 H new ATOM 1609 N VAL A 103 10.524 0.424 -7.968 1.00 0.00 N ATOM 1610 CA VAL A 103 11.210 1.364 -8.858 1.00 0.00 C ATOM 1611 C VAL A 103 11.749 2.570 -8.082 1.00 0.00 C ATOM 1612 O VAL A 103 12.696 3.226 -8.516 1.00 0.00 O ATOM 1613 CB VAL A 103 10.261 1.856 -9.953 1.00 0.00 C ATOM 1614 CG1 VAL A 103 9.828 0.673 -10.822 1.00 0.00 C ATOM 1615 CG2 VAL A 103 9.024 2.493 -9.313 1.00 0.00 C ATOM 0 H VAL A 103 9.560 0.218 -8.229 1.00 0.00 H new ATOM 0 HA VAL A 103 12.047 0.833 -9.311 1.00 0.00 H new ATOM 0 HB VAL A 103 10.773 2.595 -10.569 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.152 1.023 -11.602 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.706 0.217 -11.280 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.317 -0.065 -10.204 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.349 2.843 -10.094 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.512 1.754 -8.696 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.329 3.336 -8.693 1.00 0.00 H new ATOM 1625 N HIS A 104 11.139 2.855 -6.933 1.00 0.00 N ATOM 1626 CA HIS A 104 11.575 3.983 -6.113 1.00 0.00 C ATOM 1627 C HIS A 104 12.735 3.567 -5.214 1.00 0.00 C ATOM 1628 O HIS A 104 13.688 4.322 -5.017 1.00 0.00 O ATOM 1629 CB HIS A 104 10.425 4.489 -5.241 1.00 0.00 C ATOM 1630 CG HIS A 104 9.648 5.535 -5.992 1.00 0.00 C ATOM 1631 ND1 HIS A 104 8.609 5.209 -6.850 1.00 0.00 N ATOM 1632 CD2 HIS A 104 9.746 6.904 -6.025 1.00 0.00 C ATOM 1633 CE1 HIS A 104 8.127 6.359 -7.358 1.00 0.00 C ATOM 1634 NE2 HIS A 104 8.785 7.422 -6.887 1.00 0.00 N ATOM 0 H HIS A 104 10.352 2.329 -6.553 1.00 0.00 H new ATOM 0 HA HIS A 104 11.899 4.781 -6.782 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.771 3.661 -4.968 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.815 4.907 -4.313 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.461 7.490 -5.466 1.00 0.00 H new ATOM 0 HE1 HIS A 104 7.309 6.415 -8.060 1.00 0.00 H new ATOM 0 HE2 HIS A 104 8.618 8.403 -7.111 1.00 0.00 H new ATOM 1642 N ASP A 105 12.644 2.356 -4.673 1.00 0.00 N ATOM 1643 CA ASP A 105 13.692 1.842 -3.795 1.00 0.00 C ATOM 1644 C ASP A 105 14.686 1.003 -4.593 1.00 0.00 C ATOM 1645 O ASP A 105 14.577 -0.221 -4.658 1.00 0.00 O ATOM 1646 CB ASP A 105 13.088 0.977 -2.687 1.00 0.00 C ATOM 1647 CG ASP A 105 14.037 0.940 -1.495 1.00 0.00 C ATOM 1648 OD1 ASP A 105 14.905 0.083 -1.480 1.00 0.00 O ATOM 1649 OD2 ASP A 105 13.882 1.769 -0.613 1.00 0.00 O ATOM 0 H ASP A 105 11.864 1.717 -4.824 1.00 0.00 H new ATOM 0 HA ASP A 105 14.206 2.693 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.122 1.379 -2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.911 -0.033 -3.056 1.00 0.00 H new